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1402.1597
# Dirichlet problem associated with Dunkl Laplacian on $W$-invariant open sets Mohamed Ben Chrouda Department of Mathematics, High Institute of Informatics and Mathematics 5000 Monastir, Tunisia E-mail: [email protected] and Khalifa El Mabrouk Department of Mathematics, High School of Sciences and Technology 4011 Hammam Sousse, Tunisia E-mail: [email protected] ###### Abstract Combining probabilistic and analytic tools from potential theory, we investigate Dirichlet problems associated with the Dunkl Laplacian $\Delta_{k}$. We establish, under some conditions on the open set $D\subset\mathbb{R}^{d}$, the existence of a unique continuous function $h$ in the closure of $D$, twice differentiable in $D$, such that $\Delta_{k}h=0\quad\textrm{in}\;D\quad\textrm{and}\quad h=f\quad\textrm{on}\;\partial D.$ We also give a probabilistic formula characterizing the solution $h$. The function $f$ is assumed to be continuous on the Euclidean boundary $\partial D$ of $D$. ## 1 Introduction In their monograph [2], J. Bliedtner and W. Hansen developed four descriptions of potential theory using balayage spaces, families of harmonic kernels, sub- Markov semigroups and Markov processes. They proved that all these descriptions are equivalent and gave a straight presentation of balayage theory which is, in particular, applied to the generalized Dirichlet problem associated with a large class of differential and pseudo-differential operators. Let $W$ be a finite reflection group on $\mathbb{R}^{d}$, $d\geq 1$, with root system $R$ and we fix a positive subsystem $R_{+}$ of $R$ and a nonnegative multiplicity function $k:R\to\mathbb{R}_{+}$. For every $\alpha\in R$, let $H_{\alpha}$ be the hyperplane orthogonal to $\alpha$ and $\sigma_{\alpha}$ be the reflection with respect to $H_{\alpha}$, that is, for every $x\in\mathbb{R}^{d}$, $\sigma_{\alpha}x=x-2\frac{\langle x,\alpha\rangle}{|\alpha|^{2}}\alpha$ where $\langle\cdot,\cdot\rangle$ denotes the Euclidean inner product of $\mathbb{R}^{d}$. C. F. Dunkl introduced in [4] the operator $\Delta_{k}=\sum_{i=1}^{d}T_{i}^{2},$ which will be called later _Dunkl Laplacian_ , where, for $1\leq i\leq d$, $T_{i}$ is the differential-difference operator defined for $f\in C^{1}(\mathbb{R}^{d})$ by $T_{i}f(x)=\frac{\partial f}{\partial x_{i}}(x)+\sum_{\alpha\in R_{+}}k(\alpha)\alpha_{i}\frac{f(x)-f(\sigma_{\alpha}x)}{\langle\alpha,x\rangle}.$ Our main goal in this paper is to investigate the _Dirichlet problem_ associated with the Dunkl Laplacian. More precisely, given a bounded open set $D\subset\mathbb{R}^{d}$ and a continuous real-valued function $f$ on $D^{c}:=\mathbb{R}^{d}\setminus D$, we are concerned with the following problem: $\displaystyle\left\\{\begin{array}[]{rcll}\Delta_{k}h&=&0&\mbox{in }D,\\\ h&=&f&\mbox{on }D^{c}.\end{array}\right.$ (1) We mean by a solution of (1) every function $h:\mathbb{R}^{d}\to\mathbb{R}$ which is continuous in $\mathbb{R}^{d}$, twice differentiable in $D$ and such that both equations in (1) are pointwise fulfilled. In the particular case where $D$ is the unit ball of $\mathbb{R}^{d}$, M. Maslouhi and E. H. Youssfi [11] solved problem (1) by methods from harmonic analysis using the Poisson kernel for $\Delta_{k}$ which is introduced by C. F. Dunkl and Y. Xu [5]. It should be noted that, for balls with center $a\not=0$, the Poisson kernel for $\Delta_{k}$ is not known up to now. Let us briefly introduce our approach. It is well known (see [6] and references therein) that there exists a càdlàg $\mathbb{R}^{d}$-valued Markov process $X=(\Omega,{\mathcal{F}},{\mathcal{F}}_{t},X_{t},P^{x}),$ which is called _Dunkl process_ , with infinitesimal generator $\frac{1}{2}\Delta_{k}$. For a given bounded Borel function $h:\mathbb{R}^{d}\to\mathbb{R}$, we define $H_{U}h(x)=E^{x}[h(X_{\tau_{U}})]$ for every $x\in\mathbb{R}^{d}$ and every bounded open subset $U$ of $\mathbb{R}^{d}$, where $\tau_{U}=\inf\\{t>0;X_{t}\notin U\\}$ denotes the first exit time from $U$ by $X$. We first show that if $h$ is continuous in $\mathbb{R}^{d}$ and twice differentiable in $D$ then $\Delta_{k}h=0$ in $D$ if and only if $h$ is $X$-harmonic in $D$, i.e., $H_{U}h(x)=h(x)$ for every open set $U$ such that $\overline{U}\subset D$ (we shall write $U\Subset D$) and for every $x\in U$. We then conclude, using the general framework of balayage spaces [2], that problem (1) admits at most one solution. Moreover, if the open set $D$ is regular for the Dunkl process, then $H_{D}f$ will be the solution of (1) provided it is of class $C^{2}$ in $D$. For some examples of Markov processes, namely Brownian motion or $\alpha$-stable process, some additional geometric assumptions on the Euclidean boundary $\partial D$ of $D$ permit a decision on the regularity of $D$. In fact, it is well known that $D$ is regular, with respect to Brownian motion or $\alpha$-stable process, whenever each boundary point of $D$ satisfies the ”cone condition”. For a particular choice of the root system $R$, we shall prove in Section 3 that the cone condition is still sufficient for the regularity of $D$ with respect to the Dunkl process. However, we could not know whether this result holds true for arbitrary root systems. In this setting, we only show that balls of center $0$ are regular. Finally, assuming that $D$ is regular, the study of problem (1) is equivalent to the study of smoothness of $H_{D}f$. Indeed, as was mentioned above, (1) has a solution if and only if $H_{D}f\in C^{2}(D).$ To that end, we need to assume that $D$ is _$W$ -invariant_ which means that $\sigma_{\alpha}(D)\subset D$ for every $\alpha\in R$. Hence, using the fact that the operator $\Delta_{k}$ is hypoelliptic in $D$ (see [7, 10]) we prove that $H_{D}f$ is infinitely differentiable in $D$. Thus, we not only deduce the existence and uniqueness of the solution to $\displaystyle\left\\{\begin{array}[]{rcll}\Delta_{k}h&=&0&\mbox{in }D,\\\ h&=&f&\mbox{on }\partial D,\end{array}\right.$ (2) but we also prove that $h$ is given by the formula $h(x)=E^{x}[f(X_{\tau_{D}})]$. Throughout this paper, let $\lambda=\gamma+\frac{d}{2}-1$ and assume that $\lambda>0$. ## 2 Harmonic Kernels For the sake of simplicity, we assume in all the following that $|\alpha|^{2}=2$ for every $\alpha\in R$. It follows from [4] that, for $f\in C^{2}(\mathbb{R}^{d})$, $\Delta_{k}f(x)=\Delta f(x)+2\sum_{\alpha\in R_{+}}k(\alpha)\left(\frac{\langle\nabla f(x),\alpha\rangle}{\langle\alpha,x\rangle}-\frac{f(x)-f(\sigma_{\alpha}(x))}{\langle\alpha,x\rangle^{2}}\right),$ (3) where $\Delta$ denotes the usual Laplacian on $\mathbb{R}^{d}$. M. Rösler has shown in [13] that $\frac{1}{2}\Delta_{k}$ generates a Feller semigroup $P_{t}^{k}(x,dy)=p_{t}^{k}(x,y)w_{k}(y)dy$ which has the expression $p_{t}^{k}(x,y)=\frac{1}{c_{k}t^{\gamma+\frac{d}{2}}}\exp\left(-\frac{|x|^{2}+|y|^{2}}{2t}\right)E_{k}\left(\frac{x}{\sqrt{t}},\frac{y}{\sqrt{t}}\right),$ (4) where $E_{k}(\cdot,\cdot)$ is the Dunkl kernel associated with $W$ and $k$ (see [5]), the constant $c_{k}$ is taken such that $P_{1}^{k}1\equiv 1$, $\;\gamma=\sum_{\alpha\in R_{+}}k(\alpha)$ and $w_{k}$ is the $W$-invariant weight function defined on $\mathbb{R}^{d}$ by $w_{k}(y)=\prod_{\alpha\in R_{+}}|\langle y,\alpha\rangle|^{2k(\alpha)}.$ Let $X=(\Omega,{\mathcal{F}},{\mathcal{F}}_{t},X_{t},P^{x})$ be the Dunkl process in $\mathbb{R}^{d}$ with transition kernel $P_{t}^{k}(x,dy)$. For every bounded open subset $D$ of $\mathbb{R}^{d}$, let $\tau_{D}$ be the first exit time from $D$ by $X$. A point $z\in\partial D$ is said to be _regular_ (for $D$) if $P^{z}[\tau_{D}=0]=1$ and _irregular_ if $P^{z}[\tau_{D}=0]=0$. Notice that by Blumenthal’s zero-one law, each boundary point of $D$ is either regular or irregular. It is also easy verified that the fact that Dunkl process has right continuous paths yields that $P^{x}[\tau_{D}=0]=0$ if $x\in D$ and $P^{x}[\tau_{D}=0]=1$ if $x\in\mathbb{R}^{d}\setminus\overline{D}$. ###### Proposition 1. $E^{x}[\tau_{D}]<\infty$ for every $x\in\mathbb{R}^{d}$ and every bounded open subset $D$ of $\mathbb{R}^{d}$. ###### Proof. Let $D$ be a bounded open subset of $\mathbb{R}^{d}$, $x\in\mathbb{R}^{d}$ and choose $r>0$ such that the ball $B=B(0,r)$ contains $x$ and $D$. Then, applying Fubini’s theorem and using spherical coordinates, $\displaystyle E^{x}[\tau_{B}]$ $\displaystyle\leq$ $\displaystyle\int_{0}^{\infty}E^{x}[\mathbf{1}_{B}(X_{s})]ds$ $\displaystyle=$ $\displaystyle\int_{0}^{r}t^{2\lambda+1}\int_{0}^{\infty}\int_{S^{d-1}}p_{s}^{k}(x,tz)w_{k}(z)\sigma(dz)ds\,dt.$ Here and in all the following, $\sigma$ denotes the surface area measure on the unit sphere $S^{d-1}$ of $\mathbb{R}^{d}$. It is well known (see [13, 14]) that for every $x,y\in\mathbb{R}^{d}$ and $s>0$, $p_{s}^{k}(x,y)=\frac{1}{c_{k}^{2}}\int_{\mathbb{R}^{d}}e^{-\frac{s}{2}|\xi|^{2}}E_{k}(-ix,\xi)E_{k}(iy,\xi)w_{k}(\xi)d\xi$ and $\int_{S^{d-1}}E_{k}(ix,\xi)w_{k}(\xi)\sigma(d\xi)=\frac{c_{k}}{2^{\lambda}\Gamma(\lambda+1)}j_{\lambda}(|x|),$ where $j_{\lambda}(z):=\Gamma(\lambda+1)\sum_{n=0}^{\infty}\frac{(-1)^{n}z^{2n}}{4^{n}n!\Gamma(n+\lambda+1)}$ is the Bessel normalized function. Hence $\displaystyle E^{x}[\tau_{D}]$ $\displaystyle\leq$ $\displaystyle\int_{0}^{\infty}E^{x}[\mathbf{1}_{B}(X_{s})]ds$ (5) $\displaystyle=$ $\displaystyle\frac{1}{2^{2\lambda-1}(\Gamma(\lambda+1))^{2}}\int_{0}^{r}t^{2\lambda+1}\int_{0}^{\infty}j_{\lambda}(ut)j_{\lambda}(u|x|)u^{2\lambda-1}dudt$ $\displaystyle=$ $\displaystyle\frac{2^{2\lambda-1}\Gamma(\lambda+1)\Gamma(\lambda)}{2^{2\lambda-1}(\Gamma(\lambda+1))^{2}}\int_{0}^{r}t^{2\lambda+1}(\max(t,|x|))^{-2\lambda}dt$ $\displaystyle=$ $\displaystyle\frac{r^{2}}{2\lambda}-\frac{|x|^{2}}{2\lambda+2}<\infty.$ (6) In order to get (5) one should think about formula (11.4.33) in [1]. ∎ Let $D$ be a bounded open subset of $\mathbb{R}^{d}$. For every $x\in\mathbb{R}^{d}$, the exit distribution $H_{D}(x,\cdot)$ from $D$ by the Dunkl process starting at $x$ will be called harmonic measure relative to $x$ and $D$. That is, for every Borel subset $A$ of $\mathbb{R}^{d}$, $H_{D}(x,A)=P^{x}(X_{\tau_{D}}\in A).$ It is clear that $H_{D}(x,\cdot)=\delta_{x}$ the Dirac measure at $x$ whenever $x\in\partial D$ is regular or $x\not\in\overline{D}$. We define ${}^{W}\\!\\!D:=\cup_{w\in W}w(D)\quad\mbox{and}\quad\Gamma_{D}:=\overline{{}^{W}\\!\\!D}\setminus D.$ In other words, ${}^{W}\\!\\!D$ is the smallest open set containing $D$ which is invariant under the reflection group $W$. The following theorem ensures that $H_{D}(x,\cdot)$ is supported by $\Gamma_{D}$ for every $x\in\overline{D}$. ###### Theorem 2. Let $D$ be a bounded open subset of $\mathbb{R}^{d}$. Then for every $x\in\overline{D}$, $P^{x}\left(X_{\tau_{D}}\in\Gamma_{D}\right)=1.$ (7) ###### Proof. It is easily seen that for every regular boundary point $x$, $P^{x}(X_{\tau_{D}}\in\Gamma_{D})=\delta_{x}(\Gamma_{D})=1$. Now, assume that $x\in D$ or $x\in\partial D$ is irregular and consider the function $\digamma$ defined for every $y,z\in\mathbb{R}^{d}$ by $\digamma(y,z)=0$ if $z\in\\{\sigma_{\alpha}y;\alpha\in R_{+}\\}$ and $\digamma(y,z)=1$ otherwise. Let $Y_{t}:=\sum_{s<t}\mathbf{1}_{\\{X_{s^{-}}\neq X_{s}\\}}\digamma(X_{s^{-}},X_{s}),\quad t>0.$ It follows from [6, Proposition 3.2] that for every $t>0$, $P^{x}(Y_{t}=0)=1$ and consequently $P^{x}\left(\mathbf{1}_{\\{X_{s^{-}}\neq X_{s}\\}}\digamma(X_{s^{-}},X_{s})=0;\forall s>0\right)=1.$ Then, since $P^{x}(0<\tau_{D}<\infty)=1$ we deduce that $P^{x}\left(\mathbf{1}_{\\{X_{\tau_{D}^{-}}\neq X_{\tau_{D}}\\}}\digamma(X_{\tau_{D}^{-}},X_{\tau_{D}})=0\right)=1.$ On the other hand, seeing that $X_{\tau_{D}^{-}}\in\overline{D}$ on $\\{0<\tau_{D}<\infty\\}$ we have $\left\\{X_{\tau_{D}}\not\in\Gamma_{D},0<\tau_{D}<\infty\right\\}\subset\left\\{\mathbf{1}_{\\{X_{\tau_{D}^{-}}\neq X_{\tau_{D}}\\}}\digamma(X_{\tau_{D}^{-}},X_{\tau_{D}})=1\right\\}.$ This finishes the proof. ∎ Let $\mathcal{O}$ be the set of all bounded open subsets of $\mathbb{R}^{d}$. In the following, we denote by $\mathcal{B}_{b}(\mathbb{R}^{d})$ the set of all bounded Borel measurable functions on $\mathbb{R}^{d}$. For every $D\in\mathcal{O}$ and $f\in\mathcal{B}_{b}(\mathbb{R}^{d})$, let $H_{D}f$ be the function defined on $\mathbb{R}^{d}$ by $H_{D}f(x)=E^{x}\left[f(X_{\tau_{D}})\right]=\int f(y)H_{D}(x,dy).$ Since $X$ is a Hunt process, it follows from the general framework of balayage spaces studied by J. Bliedtner and W. Hansen in [2] that, for every $D\in\mathcal{O}$ and $f\in\mathcal{B}_{b}(\mathbb{R}^{d})$ with compact support, $H_{D}f$ is continuous in $D$ and for every $V\Subset D$, $H_{V}H_{D}=H_{D}\quad\textrm{in}\;\;V.$ (8) Since $\textrm{supp}\,H_{D}(x,\cdot)\subset\Gamma_{D}$ for every $x\in\overline{{}^{W}\\!\\!D}$, it is trivial that $H_{D}f(x)=H_{D}\left(1_{\Gamma_{D}}f\right)(x),\quad x\in\overline{{}^{W}\\!\\!D}.$ Hence, we immediately conclude that $H_{D}f$ is continuous in $D$. For every $D\in\mathcal{O}$ and every $f\in\mathcal{B}_{b}(\Gamma_{D})$, it will be convenient to denote again $H_{D}f(x)=\int f(y)H_{D}(x,dy),\quad x\in\overline{{}^{W}\\!\\!D}.$ (9) Let $U$ be an open subset of $\mathbb{R}^{d}$. A locally bounded function $h:^{W}\\!\\!\\!\\!U\rightarrow\mathbb{R}$ is said to be _$X$ -harmonic_ in $U$ if $H_{D}h(x)=h(x)$ for every open set $D\Subset U$ and every $x\in D$. If $U$ is bounded and $h$ is continuous in $\overline{{}^{W}\\!U}$ then $h$ is $X$-harmonic in $U$ if and only if for every $x\in U$, $h(x)=H_{U}h(x).$ (10) In fact, let $x\in U$ and let $(U_{n})_{n\geq 1}$ be a sequence of nonempty bounded open subsets of $\mathbb{R}^{d}$ such that $x\in U_{n}\Subset U_{n+1}$ and $U=\cup_{n}U_{n}$. Then $(\tau_{U_{n}})_{n}$ converges to $\tau_{U}$ almost surely. Hence, the continuity of $h$ on $\overline{{}^{W}\\!U}$ together with the quasi-left-continuity of the Dunkl process yield that $H_{U}h(x)=\lim_{n}H_{U_{n}}h(x)$. The following proposition follows immediately from (10). ###### Proposition 3. Let $U\in\mathcal{O}$ and let $h$ be a continuous function on $\overline{{}^{W}\\!U}$. If $h$ is $X$-harmonic in $U$, then $\max_{x\in\overline{{}^{W}\\!\\!U}}h(x)=\max_{x\in\Gamma_{U}}h(x)\quad\textrm{and}\quad\min_{x\in\overline{{}^{W}\\!\\!U}}h(x)=\min_{x\in\Gamma_{U}}h(x).$ We shall denote by $G^{k}$ the Green function of $\Delta_{k}$ which is defined for every $x,y\in\mathbb{R}^{d}$ by $G^{k}(x,y)=\int_{0}^{\infty}p_{t}^{k}(x,y)dt.$ Since $p_{t}^{k}$ is symmetric in $\mathbb{R}^{d}\times\mathbb{R}^{d}$, we obviously see that the Green function $G^{k}$ is also symmetric in $\mathbb{R}^{d}\times\mathbb{R}^{d}$. Therefore, it follows from [3, Theorem VI.1.16] that for every $D\in\mathcal{O}$ and for every $x,y\in\mathbb{R}^{d}$, $\int G^{k}(x,z)H_{D}(y,dz)=\int G^{k}(y,z)H_{D}(x,dz).$ (11) Furthermore, for every $y\in\mathbb{R}^{d}$, the function $G^{k}(\cdot,y)$ is excessive, that is, $G^{k}(\cdot,y)$ is lower semi-continuous in $\mathbb{R}^{d}$ and $\int p_{t}^{k}(x,z)G^{k}(z,y)w_{k}(z)dz\leq G^{k}(x,y)$ for every $t>0$ and $x\in\mathbb{R}^{d}$. Consequently, it follows from [2, Theorem IV.8.1] that $G^{k}(\cdot,y)$ is hyperharmonic on $\mathbb{R}^{d}$, i.e., for every $D\in\mathcal{O}$ and for every $x\in\mathbb{R}^{d}$, $\int G^{k}(z,y)H_{D}(x,dz)\leq G^{k}(x,y).$ (12) ###### Lemma 4. Let $f\in C^{2}_{c}(\mathbb{R}^{d})$ and $D\in\mathcal{O}$. For every $x\in\mathbb{R}^{d}$, $\int G^{k}(x,y)\Delta_{k}f(y)w_{k}(y)dy=-2f(x).$ (13) In particular, $H_{D}f(x)-f(x)=\frac{1}{2}E^{x}\left[\int_{0}^{\tau_{D}}\Delta_{k}f(X_{s})ds\right].$ (14) ###### Proof. To get (13) it suffices to recall that $\frac{\partial}{\partial t}P_{t}^{k}=\frac{1}{2}P_{t}^{k}\Delta_{k},\quad t>0.$ Then, we integrate over $t$ and use the fact that $\lim_{t\rightarrow 0}P_{t}^{k}f(x)=f(x)$ and $\lim_{t\rightarrow\infty}P_{t}^{k}f(x)=0$ for every $x\in\mathbb{R}^{d}$. Formula (14) follows from (13) and the strong Markov property. ∎ Let $U$ be an open subset of $\mathbb{R}^{d}$. A function $h:^{W}\\!\\!\\!\\!U\rightarrow\mathbb{R}$ is said to be _$\Delta_{k}$ -harmonic_ in $U$ if $h\in C^{2}(U)$ and $\Delta_{k}h(x)=0$ for every $x\in U$. ###### Theorem 5. Let $U$ be an open subset of $\mathbb{R}^{d}$ and let $h\in C(^{W}\\!\\!U)$. If $h\in C^{2}(U)$ then $h$ is $\Delta_{k}$-harmonic in $U$ if and only if $h$ is $X$-harmonic in $U$. ###### Proof. Let $D\Subset U$ and let $x\in D$. Then $H_{D}h(x)-h(x)=\frac{1}{2}E^{x}\left[\int_{0}^{\tau_{D}}\Delta_{k}h(X_{s})ds\right].$ (15) In fact, choose an open set $V$ such that $D\Subset V\Subset U$, $f\in C^{2}_{c}(\mathbb{R}^{d})$ which coincides with $h$ in $V$ and let $\psi=h-f$. Then using (14) we obtain $H_{D}h(x)-h(x)=\frac{1}{2}E^{x}\left[\int_{0}^{\tau_{D}}\Delta_{k}f(X_{s})ds\right]+H_{D}\psi(x).$ (16) For every $y\in\mathbb{R}^{d}$, let $N(y,dz)$ be the Lévy kernel of the Dunkl process $X$ which is given by the following formula [6] $N(y,dz)=\sum_{\alpha\in R_{+},\langle y,\alpha\rangle\neq 0}\frac{k(\alpha)}{\langle\alpha,y\rangle^{2}}\delta_{\sigma_{\alpha}y}(dz).$ (17) Since $\psi=0$ on $V$, it follows from [8, Theorem 1] that $H_{D}\psi(x)=E^{x}\left[\int_{0}^{\tau_{D}}\int\psi(z)N(X_{s},dz)ds\right].$ (18) On the other hand, by (3) and (17) we easily see that for every $y\in D$, $\Delta_{k}f(y)=\Delta_{k}h(y)-2\int\psi(z)N(y,dz).$ (19) Thus formula (15) is obtained by combing (16), (18) and (19) above. Now, $h$ is obviously $X$-harmonic in $U$ whenever it is $\Delta_{k}$-harmonic in $U$. Conversely, assume that $h$ is $X$-harmonic in $U$ and let $x\in U$. Since $h\in C(^{W}\\!\\!U)\cap C^{2}(U)$ then $\Delta_{k}h$ is continuous in $U$ and consequently for every $\varepsilon>0$ there exists an open neighborhood $D\Subset U$ of $x$ such that $|\Delta_{k}h(y)-\Delta_{k}h(x)|\leq\varepsilon$ for every $y\in D$. Using formula (15), we obtain $|\Delta_{k}h(x)|=\frac{1}{E^{x}[\tau_{D}]}\left|E^{x}\left[\int_{0}^{\tau_{D}}\left(\Delta_{k}h(X_{s})-\Delta_{k}h(x)\right)ds\right]\right|\leq\varepsilon.$ Hence $\Delta_{k}h(x)=0$ as desired. ∎ ## 3 Regular Sets A bounded open subset $D$ of $\mathbb{R}^{d}$ is said to be _regular_ if each $z\in\partial D$ is regular for $D$. A complete study of regularity is developed by J. Bliedtner and W. Hansen in [2]. It follows that a point $z\in\partial D$ is regular for $D$ if and only if for every $f\in C(\Gamma_{D})$, $\lim_{x\in D,x\rightarrow z}H_{D}f(x)=f(z).$ Consequently, $H_{D}f$ is continuous on ${}^{W}\\!\\!\overline{D}$ whenever $D$ is regular and $f\in C(\Gamma_{D})$. ###### Example 6. For all $R>r>0$, the ball $B(0,R)$ and the annulus $C(r,R)=\\{x\in\mathbb{R}^{d};\;r<\|x\|<R\\}$ are regular. In fact, by [2, Proposition VII.3.3], it is sufficient to find a neighborhood $V$ of $z\in\partial D$ and a real function $u$ such that * i) $u$ is positive in $V\cap D$, * ii) $u$ is $X$-harmonic in $V\cap D$, * iii) $\lim_{x\in V\cap D,x\rightarrow z}u(x)=0$. Consider $V=\mathbb{R}^{d}\backslash\\{0\\}$ and $g$ the function defined on $V$ by $g(x)=\frac{1}{|x|^{2\lambda}}.$ Using formula (3), simple computation shows that $g$ is $\Delta_{k}$-harmonic in $V$ which yields, by theorem 5, that $g$ is $X$-harmonic in $V$. Let $z\in\mathbb{R}^{d}$ such that $|z|=R$ and consider $u(x)=g(x)-\frac{1}{R^{2\lambda}},\quad x\in V.$ It is clear that $u$ satisfy (i), (ii) and (iii) above with $D=B(0,R)$ or $D=C(r,R)$. Hence $z$ is regular for $D$. Similarly, taking $u(x)=\frac{1}{r^{2\lambda}}-g(x),\quad x\in V,$ we conclude that all points $z\in\mathbb{R}^{d}$ such that $|z|=r$ are regular for $C(r,R)$. A sufficient condition for regularity, known as the cone condition, is given in the following theorem for a particular root system $R$. ###### Theorem 7. Let $(e_{1},...,e_{d})$ be the canonical basis of $\mathbb{R}^{d}$ and consider the root system $R=\\{\pm e_{i},\;1\leq i\leq d\\}$. Let $D$ be a bounded open subset of $\mathbb{R}^{d}$ and let $z\in\partial D$. Assume that there exists a cone $C$ of vertex $z$ such that $C\cap B(z,r)\subset D^{c}$ for some $r>0$. Then $z$ is regular for $D$. ###### Proof. It is trivial that $P^{z}[\tau_{D}\leq t]\geq P^{z}[X_{t}\in C\cap B(z,r)]$ for all $t>0$. Therefore, in virtue of Blumenthal’s zero-one low, it is sufficient to show that $\liminf_{t\rightarrow 0}P^{z}[X_{t}\in C\cap B(z,r)]$ is positive. Denote $C_{0}=C-z$, then $\displaystyle P^{z}[X_{t}\in C\cap B(z,r)]$ $\displaystyle=$ $\displaystyle\int_{C\cap B(z,r)}p_{t}^{k}(z,y)w_{k}(y)dy$ (20) $\displaystyle=$ $\displaystyle\frac{1}{t^{\gamma}}\int_{C_{0}\cap B(0,\frac{r}{\sqrt{t}})}p_{1}^{k}(\frac{z}{\sqrt{t}},\frac{z}{\sqrt{t}}-y)w_{k}(z-\sqrt{t}y)dy.$ It is trivial to see, from (4), that $p_{1}^{k}(\frac{z}{\sqrt{t}},\frac{z}{\sqrt{t}}-y)=e^{-\frac{|y|^{2}}{2}}e^{-\langle\frac{z}{t},z-\sqrt{t}y\rangle}E_{k}\left(\frac{z}{t},z-\sqrt{t}y\right).$ Let $k_{i}=k(e_{i})$ and $y_{i}=\langle y,e_{i}\rangle$ for every $y\in\mathbb{R}^{d}$ and $i\in\\{1,...,d\\}$. It is known [16] that for all $x,y\in\mathbb{R}^{d}$, $e^{-\langle x,y\rangle}E_{k}(x,y)=\prod_{i=1}^{d}M(k_{i},2k_{i}+1,-2x_{i}y_{i}).$ $M(k_{i},2k_{i}+1,\cdot)$ denotes the Kummer’s function defined on $\mathbb{R}$ by $M(k_{i},2k_{i}+1,s)=\sum_{n\geq 0}\frac{(k_{i})_{n}}{(2k_{i}+1)_{n}}\frac{s^{n}}{n!}=1+\frac{k_{i}}{2k_{i}+1}s+\frac{k_{i}(k_{i}+1)}{(2k_{i}+1)(2k_{i}+2)}\frac{s^{2}}{2!}+\cdots\quad.$ Therefore, for any $y\in\mathbb{R}^{d}$ and $t>0$, we have $\begin{array}[]{lll}\displaystyle\frac{1}{t^{\gamma}}e^{-\langle\frac{z}{t},z-\sqrt{t}y\rangle}E_{k}\left(\frac{z}{t},z-\sqrt{t}y\right)w_{k}\left(z-\sqrt{t}y\right)\vskip 6.0pt plus 2.0pt minus 2.0pt\\\ \displaystyle=\prod_{i=1}^{d}\frac{M\left(k_{i},2k_{i}+1,-2\frac{z_{i}}{t}(z_{i}-\sqrt{t}y_{i})\right)(z_{i}-\sqrt{t}y_{i})^{2k_{i}}}{t^{k_{i}}}.\end{array}$ First, it is clear that $\frac{1}{t^{k_{i}}}M\left(k_{i},2k_{i}+1,-2\frac{z_{i}}{t}(z_{i}-\sqrt{t}y_{i})\right)(z_{i}-\sqrt{t}y_{i})^{2k_{i}}=\left\\{\begin{array}[]{ll}1&\textrm{if}\;k_{i}=0\\\ y_{i}^{2k_{i}}&\textrm{if}\;z_{i}=0.\end{array}\right.$ Next, assume that $k_{i}>0$ and $z_{i}\neq 0$ for some $i\in\\{1,\cdots,d\\}$. Then, it follows from the integral representation of $M(k_{i},2k_{i}+1,\cdot)$ that $\displaystyle\frac{1}{t^{k_{i}}}M\left(k_{i},2k_{i}+1,-2\frac{z_{i}}{t}(z_{i}-\sqrt{t}y_{i})\right)$ $\displaystyle=$ $\displaystyle\frac{\Gamma(2k_{i}+1)}{\Gamma(k_{i})\Gamma(k_{i}+1)}\int_{0}^{1}\frac{1}{t^{k_{i}}}e^{-2\frac{z_{i}}{t}(z_{i}-\sqrt{t}y_{i})u}u^{k_{i}-1}(1-u)^{k_{i}}du$ $\displaystyle=$ $\displaystyle\frac{\Gamma(2k_{i}+1)}{\Gamma(k_{i})\Gamma(k_{i}+1)}\int_{0}^{\frac{1}{t}}e^{-2z_{i}(z_{i}-\sqrt{t}y_{i})v}v^{k_{i}-1}(1-tv)^{k_{i}}dv.$ Now, applying the Lebesgue dominated convergence theorem, we obtain $\lim_{t\rightarrow 0}\frac{1}{t^{k_{i}}}M\left(k_{i},2k_{i}+1,-2\frac{z_{i}}{t}(z_{i}-\sqrt{t}y_{i})\right)=\frac{\Gamma(k_{i}+1)}{\sqrt{\pi}z_{i}^{2k_{i}}}.$ Thus $\begin{array}[]{lll}\displaystyle\lim_{t\rightarrow 0}\frac{1}{t^{\gamma}}e^{-\langle\frac{z}{t},z-\sqrt{t}y\rangle}E_{k}\left(\frac{z}{t},z-\sqrt{t}y\right)w_{k}\left(z-\sqrt{t}y\right)\vskip 6.0pt plus 2.0pt minus 2.0pt\\\ \displaystyle\geq\prod_{i=1}^{d}\min\left(1,y_{i}^{2k_{i}},\frac{\Gamma(k_{i}+1)}{\sqrt{\pi}}\right)=:\theta(y).\end{array}$ Hence, Fatou’s lemma applied to (20) yields that $\liminf_{t\rightarrow 0}P^{z}[X_{t}\in C\cap B(z,r)]\geq\int_{C_{0}}e^{-\frac{|y|^{2}}{2}}\theta(y)dy>0.$ ∎ ## 4 Dirichlet Problem This section is devoted to study the following Dirichlet problem : Giving a regular open subset $D$ of $\mathbb{R}^{d}$ and a function $f\in C(\Gamma_{D})$, we shall investigate existance and uniqueness of function $h\in C(\overline{{}^{W}\\!\\!D})\cap C^{2}(D)$ satisfying the boundary value problem $\left\\{\begin{array}[]{rcll}\Delta_{k}h&=&0&\;\textrm{in}\;D,\\\ h&=&f&\;\textrm{in}\;\Gamma_{D}.\end{array}\right.$ (21) For every square integrable functions $\varphi$ and $\psi$ on $\mathbb{R}^{d}$ with respect to the measure $w_{k}(x)dx$, we define $\langle\varphi,\psi\rangle_{k}=\int\varphi(x)\psi(x)w_{k}(x)dx.$ ###### Lemma 8. For every bounded open set $D$ and for every $\varphi,\psi\in C^{2}_{c}(\mathbb{R}^{d})$, $\langle H_{D}\psi,\Delta_{k}\varphi\rangle_{k}=\langle\Delta_{k}\psi,H_{D}\varphi\rangle_{k}.$ (22) ###### Proof. Applying formula (13) to $\psi$, we have $\langle H_{D}\psi,\Delta_{k}\varphi\rangle_{k}=-\frac{1}{2}\int G^{k}(z,y)\Delta_{k}\psi(y)w_{k}(y)dyH_{D}(x,dz)\Delta_{k}\varphi(x)w_{k}(x)dx.$ (23) Then (22) is obtained by Fubini’s theorem and formulas (11) and (13). Here, since $\varphi$ and $\psi$ are with compact supports, formulas (12) and (6) justify the transformation of the integrals in (23) by Fubini’s theorem. ∎ A set $D$ is called _$W$ -invariant_ if ${}^{W}\\!\\!D=D$ which, in turn, is equivalent to $\Gamma_{D}=\partial D$. We finally have the necessary tools at our disposal for solving the following Dirichlet problem. ###### Theorem 9. Let $D$ be a $W$-invariant regular open subset of $\mathbb{R}^{d}$. For every function $f\in C(\partial D)$, there exists one and only one function $h\in C(\overline{D})\cap C^{2}(D)$ such that $\left\\{\begin{array}[]{rcll}\Delta_{k}h&=&0&\;\textrm{in}\;D,\\\ h&=&f&\;\textrm{in}\;\partial D.\end{array}\right.$ (24) Moreover, $h$ is given by $h(x)=\int_{\partial D}f(y)H_{D}(x,dy),\quad x\in\overline{D}.$ ###### Proof. In virtue of Theorem 5, we observe that for $f\in C(\partial D)$, every solution $h$ of (21) satisfies necessarily : $\left\\{\begin{array}[]{ll}h\textrm{ is X-harmonic in}\;D,\\\ h=f\;\textrm{in}\;\partial D.\end{array}\right.$ (25) Then, by Proposition 3, (24) admits at most one solution. The function $H_{D}f$ is $X$-harmonic in $D$ by (8). Moreover, the regularity of $D$ yields that $H_{D}f$ is a continuous extension of $f$ to $\overline{D}$. Therefore, according to Theorem 5, $H_{D}f$ will be the unique solution of (24) provided it is twice differentiable in $D$. On the other hand, it has been shown in [7] that $\Delta_{k}$ is hypoelliptic in $D$ (see also [10]), i.e., a continuous function $g$ in $D$ which satisfies $\langle g,\Delta_{k}\varphi\rangle_{k}=0\quad\textrm{for all}\;\;\varphi\in C^{\infty}_{c}(D)$ (26) is necessary infinitely differentiable in $D$. Thus to complete the proof we only need to show that (26) holds true for $g=H_{D}f$. To this end let $\varphi\in C^{\infty}_{c}(D)$ and let $(f_{n})_{n\geq 1}\subset\leavevmode\nobreak\ C^{2}_{c}(\mathbb{R}^{d})$ be a sequence which converges uniformly to $f$ in $\partial D$. Since $H_{D}\varphi(y)=0$ for all $y\in\mathbb{R}^{d}$, applying (22) we obtain $\langle H_{D}f_{n},\Delta_{k}\varphi\rangle_{k}=0,\quad n\geq 1.$ (27) On the other hand, $\displaystyle\sup_{x\in\overline{D}}|H_{D}f_{n}(x)-H_{D}f(x)|\leq\sup_{y\in\partial D}|f_{n}(y)-f(y)|\longrightarrow 0\quad\textrm{as}\quad n\longrightarrow\infty.$ Hence $H_{D}f$ satisfies (26) by letting $n$ tend to $\infty$ in (27). ∎ It should be noted that the hypothesis ”$D$ is $W$-invariant” is only needed to get the hypoellipticity of $\Delta_{k}$. For open set $D$ which is not $W$-invariant, the question whether $\Delta_{k}$ is hypoelliptic in $D$ or not remained open. In the case of positive answer, analogous arguments as in the proof of Theorem 9 will immediately imply that $H_{D}f$ is the unique solution of problem (21). Let us notice that, using methods from harmonic analysis, M. Maslouhi and E. H. Youssfi [11] studied problem (24) in the special case where $D=B$ is the unit ball of $\mathbb{R}^{d}$. They proved that, for any $f\in C(\partial B)$, the function $h$ given by $h(x)=\int_{\partial B}P_{\kappa}(x,y)f(y)w_{k}(y)\sigma(dy),\;x\in B$ is the unique solution of (24), where $P_{\kappa}$ denotes the Poisson kernel introduced by C. F. Dunkl and Y. Xu [5]. Hence, our above theorem immediately yields that for every $x\in B$, $H_{B}(x,dy)=P_{\kappa}(x,y)w_{k}(y)\sigma(dy).$ ## References * [1] Abramowitz, M. and Stegun, I. A. (1984). Handbook mathematical functions. Verlag Harri Deutsch. Frankfurt-Main. * [2] Bliedtner, J. and Hansen, W. (1986). Potentiel theory. An analytic and probabilistic approach to balayage. Springer-Verlag. * [3] Blumenthal, R. M. and Getoor, R. K. (1968). Markov processes and potential theory. Academic Press. * [4] Dunkl, C. F. (1989). Differential-difference operators associated to reflection groups. Trans. Am. Math. Soc. 311 167–183. * [5] Dunkl, C. F. and Xu, Y. (2001). Othogonal polynomials of sevaral variables. Cambridge University Press. * [6] Gallardo, L. and Yor, M. (2006). A chaotic representation property of the multidimensional Dunkl processes. Ann. Proba. 34 1530–1549. * [7] Hassine, K. (2014). Mean value propoerty associated with the Dunkl Laplace opertor. Preprint. arXiv:1401.1949v1. * [8] Ikeda, N. and Watanabe, S. (1962). On some relations between the harmonic measure and the Lévy measure for a certain class of Markov processes. J. Math. Kyoto Univ. 2 79–95. * [9] Mejjaoli, H. and Trimèche, K. (2001). On a mean value property associated with the dunkl Laplacian operator and applications. Integral Transforms Spec. Funct. 12 279–302. * [10] Mejjaoli, H. and Trimèche, K. (2004). Hypoellipticity and hypoanalyticity of the Dunkl Laplacian operator. Integral Transforms Spec. Funct. 15 523–548. * [11] Maslouhi, M. and Youssfi, E. H. (2007). Harmonic functions associated to Dunkl operators. Monatsh. Math. 152 337–345. * [12] Rösler, M. (1999). Positivity of Dunkl’s intertwining operator. Duke Math. J. 98 445–463. * [13] Rösler, M. (1998). Generalized Hermite polynomials and heat equation for Dunkl operators. Commun. Math. Phys. 192 519–542. * [14] Rösler, M. (2003). A positive radial product formula for Dunkl kernel. Trans. Am. Math. Soc. 355 2413–2438. * [15] Trimèche, K. (2001). The Dunkl intertwining operator on spaces of functions and distributions and integral representation of its dual. Integral Transforms Spec. Funct. 12 349–374. * [16] Xu, Y. (1997). Orthogonal polynomials for a family of product weight functions on the spheres. Can. J. Math. 49 175–192.
arxiv-papers
2014-02-07T10:43:48
2024-09-04T02:49:57.939305
{ "license": "Public Domain", "authors": "Mohamed Ben Chrouda and Khalifa El Mabrouk", "submitter": "Khalifa El Mabrouk", "url": "https://arxiv.org/abs/1402.1597" }
1402.1644
Surface patterns in drying films of silica colloidal dispersions F. Boulognea†∗, F. Giorgiutti-Dauphinéa, L. Paucharda We report an experimental study on the drying of silica colloidal dispersions. Here we focus on a surface instability occurring in a drying paste phase before crack formation which affects the final film quality. Observations at macroscopic and microscopic scales reveal the occurrence of the instability, and the morphology of the film surface. Furthermore, we show that the addition of adsorbing polymers on silica particles can be used to suppress the instability under particular conditions of molecular weight and concentration. We relate this suppression to the increase of the paste elastic modulus. 00footnotetext: a UPMC Univ Paris 06, Univ Paris-Sud, CNRS, F-91405. Lab FAST, Bat 502, Campus Univ, Orsay, F-91405, France. Fax: +33 1 69 15 80 60; Tel: +33 1 69 15 80 46; E-mail: [email protected] † Now at: Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544, USA. ## 1 Introduction Patterns arising in soft materials such as elastomers, gels and biological tissues receive a growing attention 1. The understanding and the control of the underlying instabilities are crucial for technological applications (microelectronics, microfluidics), for biological systems (wrinkling of human skin or drying fruit 2) or for medical applications where gels are used as biological scaffolds for tissues or organs. In addition, various patterns which affects the surface of films are reported in the literature. One of the most studied concerns wrinkles observed when a hard skin, sitting on a soft layer, is compressed. Beyond a critical strain, it results in a periodic sinusoidal deformation of the interface 3, 4, 5, 6 for which the periodicity has been derived theoretically 2, 7. When the strain is further increased, a secondary instability occurs leading to wrinkle-to-fold transition 8, 9; this results in a localization of the deformation 10. Under a biaxial compressive stress, it has been shown that a repetitive wrinkle-to-fold transition produces a hierarchical network of folds 11, 12. These patterns are observed in various systems such as glassy polymers 13, 3, polyethylene sheets 2 or foams 14. Another group of patterns arises in soft layers supported by rigid substrates 1. Under compressive stresses, an instability often called creasing is manifested by localized and sharp structures at the free surface. These are commonly observed in elastomers 15, 16, and hydrogels 17, or in the situation of a rising dough in a bowl 18. Despite similarities in their morphologies, origins of folds and creases are strongly different. Whereas folds are a secondary instability of wrinkles, creases are a direct deformation of a flat film (creases are also known as sulci 19, 20). Moreover drying films can produce characteristic crack patterns as they are dried21, 22. The drying- induced cracks can invade the surface and propagate simultaneously into the volume of the medium with evaporation of solvent, resulting in the division of the plane into polygonal domains. In this paper, we experimentally investigate patterns displayed at the surface of drying films of silica nanoparticles in an aqueous solvent. We discuss the occurrence of these patterns, and we examine their main features using different imaging techniques and rheological measurements. Moreover, the polymer/silica interaction is usually used to tune the mechanical properties of composite films. Consequently, we propose here a method to suppress these structures by adding adsorbing polymers to the silica nanoparticles. ## 2 Experimental Fig. 1: Experimental setup. Dry or moist air is produced by an air flow from the ambient atmosphere through desiccant or water respectively to the box. Depending on the humidity measured by the humidity sensor inside the box, a solenoid valve is actioned to converge the humidity to the desired value. A honeycomb grid (represented in its actual size) is used to improve the contrast of the surface corrugations (Schlieren technique). ### 2.1 Controlled drying conditions Experiments consist in drying a colloidal suspension in a circular glass Petri dish (inner diameter $2R=5.6$ cm) placed in a chamber which has controlled temperature ($22\pm 2$ ∘C) and relative humidity ($R_{H}=50\pm 2$%) 23. The setup is sketched in figure 1. Top and bottom walls of the chamber are transparent for visualization by transmitted light. The bottom wall is carefully adjusted horizontally prior each experiment. Since the sample contrast is very low, the Schlieren technique24 is used: a honeycomb grid is positioned between the bottom wall and an extended light source. A camera (Nikon D300), located at the top of the chamber, records a photograph each minute. In the following, $m_{i}$ varies in the range $1$ to $9$ g, resulting in a initial thickness $h_{i}$ varying in the range from $\simeq 0.3$ to $2.5$ mm. ### 2.2 Colloidal dispersions Table 1: Main properties of silica dispersions used in this paper. The volume fraction is noted $\phi_{0}$. Values of the particle diameters come from reference 25 (p. 324). Silica | diameter $2a$ ($\mathrm{nm}$) | $\phi_{0}$ | $\rho$ ($\mathrm{kg}\text{\,}{\mathrm{m}}^{-3}$) | pH ---|---|---|---|--- SM | 10 | 0.15 | 1180 | 9.9 HS | 16 | 0.19 | 1250 | 9.8 TM | 26 | 0.20 | 1260 | 9.2 We use three aqueous dispersions of silica colloidal particles: Ludox SM-30, HS-40 and TM-50, commercially available from Sigma-Aldrich. The pH is in the range of 9-10, and so the particle surface bears a high negative charge density 26. SM-30 is used without treatments, while HS-40, and TM-50 are diluted using pure water (milliQ quality, resistivity: $18$ M$\Omega$.cm) at pH 9.5 by addition of NaOH. A weight ratio of 90/10 (HS-40/water) and 75/25 (TM-50/water) are chosen to obtain similar initial volume fractions. In the following, SM (unmodified), HS and TM designate these dispersions; their main properties are reported in Table 1. The effect of polymer chains on TM particles is investigated using polyethylene oxyde (PEO) or alternatively polyvinylpyrrolidone (PVP). Indeed, a high affinity for silica surfaces is known for PEO and PVP resulting in an adsorption on silica particles. To simplify the notations, polymers are noted $P_{i}$ as follow. Different molecular weights are studied ($P_{0}$: $300\text{\,}\mathrm{Da}$, $P_{1}$: $600\text{\,}\mathrm{Da}$, $P_{2}$: $3350\text{\,}\mathrm{Da}$, $P_{3}$: $6000\text{\,}\mathrm{Da}$, $P_{4}$: $35\text{\,}\mathrm{kDa}$, $P_{5}$: $600\text{\,}\mathrm{kDa}$ and $P_{6}$: $8\text{\,}\mathrm{MDa}$) for PEO and $P_{7}$: $40\text{\,}\mathrm{kDa}$ for PVP. Polymers are purchased from Sigma-Aldrich and are dissolved in pure water at pH 9.5. This solution, with a weight concentration of polymers noted $C_{p}$, and is used for the dilution of TM-50. As a result, the final polymer concentration in TM dispersion is $C_{p}/4$. The adsorption of polymers on silica particles has been largely studied in the literature 27, 28, 29, 30. In particular, it has been shown, from adsorption isotherms, that silica particles are totally covered with polymers for concentrations above $1$ $\mathrm{mg}\text{\,}{\mathrm{m}}^{-2}$ for PEO 27 and PVP 31. In our experiments, the polymer concentrations do not exceed $\lesssim 0.01$ $\mathrm{mg}\text{\,}{\mathrm{m}}^{-2}$, which is much lower than the covering concentration. In this concentration range, polymers adsorb on particles to form necklaces29; the dispersed state is stable since the interactions between necklaces are repulsive32. ### 2.3 Visualisation techniques Observation using an optical microscopy (DM2500 Leica microscope) by transmitted light is used at a macroscopic scale. At a microscopic scale, the surface profile is investigated using an Atomic Force Microscope (AFM, Vicco) in tapping mode on dried TM samples (scanning area are $80\times 80$ ${\mathrm{\SIUnitSymbolMicro m}}^{2}$) prepared with an initial weight $m_{i}=6$ g. To complete these measurements at the onset of the propagation, an optical profiler is used (Taylor Hobson, $10\times$, working distance $7$ mm). This contact-less method allows us to measure the surface profile of consolidating materials with a typical surface area $1.6\times 1.6$ mm2. ## 3 Results ### 3.1 Macroscopic observations #### 3.1.1 Temporal evolution Fig. 2: Time evolution of a flat film of a TM sample (initial weight is $m_{i}=6$ g). Each image is focused on the film surface (in the center, far from the petri dish edge) and is taken at the same region of the film. The arrow in image (4) gives the mean direction of propagation of the structures. Image (6) shows the final pattern made of sinuous structures superposed to a network of channeling cracks. Scale bar: $2$ mm. During water removal, particles concentrate and the film thickness decreases. At a given time, a network of fine dark lines progressively invades the flat region of the film from the center to the edges. The time evolution of the film surface is shown in figure 2. Starting from an homogeneous surface (image 1 in figure 2), surface corrugation can be observed after a few minutes of evaporation (image 2 in figure 2). The corrugation patterns probably result from Rayleigh-Bénard or Bénard-Marangoni convective instabilities33. However, the convective cells disappear after a period of time; the surface recovers its visual homogeneity (image 3 in figure 2). Then, at time $t_{onset}$, structures progressively invade the surface of the flat film (image 4 in figure 2) and results in the pattern shown in image 5 in figure 2. Finally, the classical crack pattern forms in the film (image 6 in figure 2). #### 3.1.2 Onset time Starting from an homogeneous surface, the structures appear where the film is thinner, i.e. in the center, far from the meniscus. For TM dispersions, we observed that below a critical initial weight $m_{i}^{c}=1.4\pm 0.3$ g, i.e., $h_{i}^{c}=0.4\pm 0.1$ mm, no structure forms even if cracks do. Fig. 3: Onset time $t_{onset}$ of structures as a function of the initial weight and corresponding initial film thickness, for three samples: TM, TM + $P_{5}$ (PEO, $600\text{\,}\mathrm{kDa}$) at $C_{p}=0.1$% and TM + $P_{6}$ (PVP, $40\text{\,}\mathrm{kDa}$) at $C_{p}=0.2$%. Lines are guides for the eye. Error bars reported for TM samples are similar for other samples. In addition, above this critical initial weight, the onset time $t_{onset}$ needed to observe the structures growth, is measured for dispersions of different initial weights deposited in the container, ranging from $1$ to $9$ g. Results are reported in figure 3 and show that the onset time increases linearly with the initial weight. Table 2: Final state of sample surfaces for the different samples. Sample | SM | HS | TM | TM + ($P_{0}$, $P_{1}$, $P_{2}$, $P_{3}$) | TM + ($P_{4}$, $P_{5}$, $P_{6}$, $P_{7}$) ---|---|---|---|---|--- | | | | $\forall C_{p}$ | $C_{p}<C_{p}^{c}$ | $C_{p}>C_{p}^{c}$ Observation | $\forall h$, no pattern | $\forall h$, no pattern | patterns if $h>h_{c}$ | patterns if $h>h_{c}$ | patterns if $h>h_{c}$ | $\forall h$, no pattern Similar experiments have been carried out with the other samples and results are summarized in table 2. For SM and HS samples, no structure appear at the film surface, independently of the investigated range of film thicknesses. Consequently, we studied the addition of adsorbing polymers only on TM samples. For a sample of initial weight $m_{i}=3$ g deposited in the container ($h_{i}=1$ mm), using PEO with molecular weights larger than $6$ kDa, the formation of the structures is suppressed above a critical concentration $C_{p}^{c}=0.13\%$ (within an uncertainty of $0.03\%$ for $P_{3}$ and $0.01\%$ for $P_{4}$, $P_{5}$ and $P_{6}$). Thus, the weight amount of polymers necessary to suppress the structures is found to be independent of the molecular weight (for $M_{w}\geq 6\textrm{kDa}$). However, for shorter polymer chains ($M_{w}<6\textrm{kDa}$), and for concentrations up to $C_{p}=0.6$%, the structures still form. Moreover, addition of PVP ($40$ kDa) to TM particles results in suppression of the structures for $C_{p}^{c}(PVP)=0.33\pm 0.03$%. We notice that the molecular weight of a polymer unit for PEO $M_{w}^{PEO}=44$ g/mol and for PVP $M_{w}^{PVP}=111$ g/mol: $\frac{M_{w}^{PEO}}{M_{w}^{PVP}}\simeq\frac{C_{p}^{c}(PVP)}{C_{p}^{c}(PEO)}$ (1) As a result, structures are suppressed for a critical number of polymer units ($160\pm 10$ units per colloidal particle, i.e. $7.6\pm 0.6$ $\mathrm{\SIUnitSymbolMicro g}\text{\,}{\mathrm{m}}^{-2}$). We checked that drying kinetics are not affected by the addition of polymers by weight measurements 23. #### 3.1.3 State of the material The drying of colloidal dispersion is a balance between two opposite fluxes: (a) the solvent flux tends to accumulate the particles to the free surface, whereas (b) the diffusion process smooths concentration gradients. The competition between both processes usually states either the formation of a skin at the surface of a drying film or the consolidation in the bulk phase. In that way, the relevant dimensionless number is a Péclet number defined as the ratio of a diffusion timescale $h^{2}/D$ and an advection timescale $h/V_{e}$: $\textrm{Pe}(h)=\frac{V_{e}h}{D}$ 34, where $h$ is the film thickness, $V_{e}$ is the evaporation rate and $D$ a diffusion coefficient. The evaporation rate is found to be equal to $V_{e}\simeq 1\times 10^{-8}$m/s under the same drying conditions23. The diffusion coefficient is deduced from the Stokes-Einstein relation $D=k_{B}T/(6\pi\eta_{s}a)$, where $\eta_{s}=$ $1\text{\,}\mathrm{mPa}\text{\,}\mathrm{s}$ is the solvent viscosity. From thicknesses lying in the range $[0.4,2.9]$ mm, the Péclet number is between $0.2$ and $1.8$. The value close to $1$ does not allow us to distinguish between skin formation or consolidation in the bulk. However, to determine the state of the material, we gently collected a fraction of the material located at the surface of our samples (e.g. TM sample, $m_{i}=9$ g, typically $1/4$ of the paste thickness); the sample was operated during the propagation of structures and before the apparition of cracks. We measured a volume fraction of $\phi=38\pm 2\%$ which is compatible with a elastic material ($\phi>0.35$) of non-aggregated particles ($\phi<0.61$) 35; this material, deposited in a test tube filled thereafter with deionized water, can be redispersed after shaking. ### 3.2 Visualisations #### 3.2.1 Optical microscopy Fig. 4: Dynamics of the structure propagation in the center of a drying TM film. The time laps between pictures (a) and (b) is $21$ seconds. The situation indicated by arrows is detailed in the inserts. Picture (c) shows the final pattern. (d) The series of photographs show a morphogenetic sequence (time laps between each picture: $1$ s) leading to developed branching process. Scale bars represent $200\text{\,}\mathrm{\SIUnitSymbolMicro m}$. The propagation of structures was firstly observed by optical microscopy. The sequence of images in figure 4(a, b, c) reveals the dynamics of formation of the structures in the center of the sample. A propagating branch (2) approaches a prior one (1), then crosses. Moreover, in figure 4(c), the final pattern in the sequence shows an increase of the structures contrast, and the formation of a new generation of branches, dividing domains. The series of photographs in figure 4(d) show a typical detailed process of the splitting of one branch into two branches. Fig. 5: Final pattern (a) in the center of the petri dish and (b) at $1$ cm from the edge located at the bottom of the picture (The vector $\vec{r}$ designates the radial direction.). Scale bars represent $100$ $\mathrm{\SIUnitSymbolMicro m}$. Fig. 6: (a) Surface profile (AFM) of a dried TM sample ($m_{i}=6$ g). The 3D profile on the right corresponds to the region inside the yellow square in image on the left. (b) Surface profile obtained using an optical profiler: a drying region with propagating structures from the background to the foreground are shown in the profiles along the lines 1 and 2. As shown in previous pictures, the structures exhibit an isotropic pattern in the center of the sample. However, while structures propagate in a thickness gradient naturally imposed by the meniscus at the edge of the container, they become preferentially oriented radially and ortho-radially (figure 5(b)). A meniscus at the edge of the container extends over few times the capillary length scale $\kappa^{-1}=\sqrt{\frac{\gamma}{\rho g}}\simeq 2$ mm ($\gamma$ is the surface tension of water). At the final stage, we obtain isotropic patterns (figure 5(a)) in a region covering $40$% of the total surface area which corresponds to the flat film area. #### 3.2.2 AFM profilometry The surface topography of a TM sample is reported in figure 6(a). The typical structure height ranges between $1$ $\mathrm{\SIUnitSymbolMicro m}$ and $4$ $\mathrm{\SIUnitSymbolMicro m}$. In particular, we notice the asymmetric shape of the surface profile, as an evidence of two inclined planar surfaces connected by a transition region of about $10$ $\mathrm{\SIUnitSymbolMicro m}$. As a result, such measurements during the propagation of structures are shown in figure 6(b). The red region of the surface corresponds to a thicker layer; this can be related to the presence of the microscope objective limiting the evaporation flux 36. In front of the structures, the film is flat, and an arch-shaped profile is shown at the onset of the instability. During the drying process, this shape evolves to an asymmetric shape. The kinks present near the junction of arches (bottom graph) is due to the absence of interference fringes with the optical profiler at the singularities resulting in an artifact. Thus, we only consider the parts of the profile highlighted in red. Moreover, in the case of experiments carried out with SM and HS samples for $m_{i}\in[2,12]$ g, no structure can be observed. This statement is also confirmed using AFM, and optical profiler images. Finally, measurements using AFM and optical profiler techniques reveal the absence of structures in TM with polymers above $C_{p}^{c}$ as in the case of observations using optical microscopy. Note that polymer addition below $C_{p}^{c}$ leads to a lower structure height. For instance, addition of PEO ($600\text{\,}\mathrm{kDa}$, $C_{p}=0.1$%) decreases the maximum height to $1\text{\,}\mathrm{\SIUnitSymbolMicro m}$ ($m_{i}=6$ g). ### 3.3 Rheology Fig. 7: Rheological measurements of the elastic modulus $G_{0}$ obtained from small oscillatory shear flow tests (plate-plate geometry) for different samples of pure particles (SM, HS and TM) and with addition of PEO ($600$ kDa) in TM. Error bars indicate extreme values. In the following the rheological properties of pastes are investigated at the onset of structures formation. In order to compare the elastic moduli of different silica pastes, measurements are performed at a well-defined consolidation time: the onset time for TM films and the same consolidation time for other systems. Samples are prepared using the same protocol: the initial weights range from $7$ to $9$ g. We collect surface samples corresponding to the 4/5th of the film thickness in the center of the container. A part is used for a dried extract in order to deduce the volume fraction $\phi$. The paste elastic modulus is measured using a rheometer (Anton Paar MCR501) in the plate-plate geometry (diameter: $24.93$ mm) with a solvent trap. The gap is adjusted between $0.3$ and $0.7$ mm accordingly to the amount of paste used for the measurement. Small oscillatory shear flow tests are performed with an amplitude of $0.2$%, and a frequency sweep from $100$ Hz to $1$ Hz for $200$ s per point. Under these conditions, the elastic modulus $G^{\prime}(\omega)$ does not vary significantly with the frequency (relative variations lower than $10$%) and the deformation amplitude up to few percent above which the elastic modulus decreases. The average value is denoted by $G_{0}$ in the following. In this way, five samples are considered: SM, HS and TM dispersions and binary mixture of TM and PEO ($600\text{\,}\mathrm{kDa}$) at $C_{p}=0.2$% and $C_{p}=0.4$%. For TM samples (without polymers), since structures appear at $\phi=38\pm 2$%, we select other samples (where no structures are developed) with similar volume fraction. Results are shown in figure 7. Our results on the HS sample are consistent with values available in the literature37. Note that, for all studied samples, the loss modulus ($G^{\prime\prime}(\omega)$) appears to be at least one order of magnitude lower than $G_{0}$. For pure dispersions, the elastic modulus decreases of nearly one order of magnitude when the mean particle size varies from $10$ to $26$ nm. On the contrary, the addition of a small amount of PEO adsorbing on TM particles results in the increase of the paste elastic modulus. ## 4 Discussion Our observations concerning the dynamics of formation and the characteristics of the pattern show that the structures observed here can be scarcely related to winkles. Indeed, wrinkles are periodic deformations of the interface5 whereas our patterns are clearly localized. Folds, described as a secondary instability arising from wrinkles8, present strong similarities such as the localization of the deformation, the subdivision of domains and the crossing patterns11. However, the observation of wrinkles is expected but it has never been observed in our systems. Moreover, wrinkles and folds result from the deformation of a skin in contact with a softer material whereas at the onset of the structures formation, the film seems to behave like an homogeneous paste phase. Observations at the onset of patterning (top graph of figure 6(b)) suggest some morphological similarities with creases patterns of swelling elastomers reported in the literature 16 while the mechanism is different. The observed arches evolve to a“saw-tooth roof shape” as shown by AFM measurements (Fig. 6(a)). This transition is illustrated in the bottom graph of figure 6(b) where the onset of the lost of symmetry can be seen. Indeed, this transition may be attributed to the fact that colloidal pastes are able to change their microstructures. A possible explanation of the symmetry breakage from the onset of the instability to the final state can be that any further strain energy is dissipated in a shear of the material (creep flow). The second question addressed in this paper concerns the absence of structures for SM and HS particles, as well as the suppression by the addition of adsorbing polymers. It results that mechanical properties of pastes depend on the colloidal dispersion or the concentration of additional polymers. The strain in the paste phase at the onset time can be deduced its elastic modulus. Indeed, assuming that the internal stress during the drying process comes from the flux of water through the porous matrix made by silica particles, the greatest stress occurs at the drying surface where the pore pressure is the larger38. There, the stress $\sigma$ scales as follows: $\sigma\sim\frac{h\eta_{s}}{3k}V_{e}$ (2) where $k$ is the permeability of the porous material. This expression justifies that below a critical thickness $h_{i}^{c}$, no structure are visible because the tensile stress is not large enough to trigger the mechanical instability. Estimating the permeability from Carman-Kozeny relation at $\phi=38$ % ($k=6\times 10^{-18}$ ${\mathrm{m}}^{2}$), we deduce a critical strain $\epsilon_{c}$ at the onset of the structures formation: $\epsilon_{c}\sim\frac{h_{i}^{c}\eta_{s}}{3kG_{0}}V_{e}\simeq 0.2$ (3) where $G_{0}=11$ kPa for TM. It is noteworthy that for this deformation, the elastic modulus of the material is still comparable to the one measured at low deformation amplitudes. Moreover, the elastic modulus is measured just prior the propagation of the structures (that occurs over a timescale of 10 min) at a controlled volume fraction. Thus, this elastic modulus must be considered as an order of magnitude that could be underestimated, which means that this critical strain could beoverestimated. Measurements show that above a critical elastic modulus, structures are suppressed. This critical value is estimated by $G_{0}^{c}=15\pm 5$ kPa from figure 7. Indeed, for pastes exhibiting larger elastic moduli, shrinkage induced by the drying is withstood by the paste network leading to a low strain. Further shrinkage is frustrated by adhesion of the paste onto the substrate and results in tensile stress and so cracks formation. However, for pastes exhibiting lower elastic moduli, the strain is larger leading to possible surface corrugations. Equation 3 also suggest that $G_{0}^{c}$ should depend on the film thickness if $\epsilon_{c}$ does not. From our observations, we cannot conclude on a dependence of $G_{0}^{c}$ with the film thickness because near the threshold, the presence or absence of structures are difficult to be stated. Indeed, the structures density decreases with the film thickness as shown in the inset of figure 3. In the case of pure colloidal dispersions (SM, HS, TM), the particle size affects the elastic modulus (Fig. 7), consequently the permeability. Indeed, fitting the elastic moduli as a function of the particle size with a power law, $G_{0}\propto a^{p}$, leads to values $p\in[-1,-3]$. The inaccuracy comes from the large error bars and the little number of available samples. Taking into account the particle size dependency in the permeability with Carman- Kozeny model, the deformation varies as $\epsilon\propto a^{-(p+2)}$. A power coefficient $p$ lower than $-2$ would be consistent with our observations on the suppression effect. We can also note that our description assumes that changing Ludox only results in varying particle size. It is worth to note that other parameters may have effects, such as polydispersity (see reference 25 (p. 324) for measurements) which can modify the permeability 39. Finally, we also observed that patterns are hierarchical (Fig. 2) which introduces different lengthscales. The final pattern settles after $250$ minutes in the given example. This suggests that the refinement is related to the consolidation of the material that can be analyzed by the increase of the elastic modulus in time which increases the stress in the material. ## 5 Conclusion In this paper, we report experimental observations on surface instabilities during the drying of silica colloidal dispersions. These patterns grow if films are thicker than a critical thickness and that the onset time increases linearly with the initial film thickness and it is concomitant with a paste phase sitting on the substrate. Measurements using microscopy techniques highlight the surface corrugations resulting first in arches that evolves to a saw tooth roof shape. We also provide a method to prevent these patterns consisting in the addition of a small amount of polymers which increases the material elastic modulus. From this technique, we estimated a critical elastic modulus for structures formation. As a perspective, it would be interesting to refine the description of the evolution from arches to the saw-tooth roof shape which is attributed to a creep flow caused by the nature of the material. Thus, a competition between the creasing instability and the creep flow might may exist in the selection of the final characteristic distance separating structures. In particular, in a future work, the evolution of structures could be related to the characteristics (onset time, final size) of the different generations in order to establish a criterion for the distance between structures and to precise the influence of loss of symmetry in the development of the instability. Further theoretical developments might focus on similarities and differences of surface instabilities in visco-elasto-plastic materials compared to visco- elastic gels. ## References * Li _et al._ 2012 X. Li, D. Ballerini and W. Shen, _Biomicrofluidics_ , 2012, 6, 011301. * Cerda and Mahadevan 2003 E. Cerda and L. Mahadevan, _Phys. Rev. Lett._ , 2003, 90, 074302. * Huraux _et al._ 2012 K. Huraux, T. Narita, B. Bresson, C. Fretigny and F. Lequeux, _Soft Matter_ , 2012, 8, 8075–8081. * Xuan _et al._ 2012 Y. Xuan, X. Guo, Y. Cui, C. Yuan, H. Ge, B. Cui and Y. Chen, _Soft Matter_ , 2012, 8, 9603–9609. * Chen and Crosby 2013 Y.-C. Chen and A. Crosby, _Soft Matter_ , 2013, 9, 43–47. * Genzer and Groenewold 2006 J. Genzer and J. Groenewold, _Soft Matter_ , 2006, 2, 310–323. * Groenewold 2001 J. Groenewold, _Physica A: Statistical Mechanics and its Applications_ , 2001, 298, 32–45. * Brau _et al._ 2013 F. Brau, P. Damman, H. Diamant and T. 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Nikolayev, D. Quéré, J. Li and B. Cabane, _Phys. Rev. Lett._ , 2010, 105, 266103. * Di Giuseppe _et al._ 2012 E. Di Giuseppe, A. Davaille, E. Mittelstaedt and M. François, _Rheologica Acta_ , 2012, 51, 451–465. * Brinker and Scherer 1990 C. Brinker and G. Scherer, _Sol-Gel Science: The Physics and Chemistry of Sol-Gel Processing_ , Academic Press, 1990. * Scherer and Swiatek 1989 G. Scherer and R. Swiatek, _Journal of Non-Crystalline Solids_ , 1989, 113, 119–129. ## 6 acknowledgments The authors thank Triangle de la Physique for the rheometer (Anton Paar, MCR 501) and A. Aubertin for designing the experimental setup. We are grateful to B. Cabane, J.-P. Hulin, G. Gauthier and C. Quilliet for fruitful discussions, A. Chennevière, C. Poulard and F. Restagno for guidance and sharing their AFM and optical profiler.
arxiv-papers
2014-02-07T14:05:52
2024-09-04T02:49:57.947270
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Fran\\c{c}ois Boulogne, Fr\\'ed\\'erique Giorgiutti-Dauphin\\'e, Ludovic\n Pauchard", "submitter": "Fran\\c{c}ois Boulogne", "url": "https://arxiv.org/abs/1402.1644" }
1402.1837
# Pion masses in 2-flavor QCD with $\eta$ condensation Sinya Aoki1,2 and Michael Creutz3 1Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502, Japan 3Center for Computational Sciences, University of Tsukuba, Ibaraki 305-8571, Japan 3Physics Department 510A, Brookhaven National Laboratory, Upton, NY 11973,USA111This manuscript has been authored under contract number DE- AC02-98CH10886 with the U.S. Department of Energy. Accordingly, the U.S. Government retains a non-exclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. ###### Abstract We investigate some aspects of 2-flavor QCD with $m_{u}\not=m_{d}$ at low- energy, using the leading order chiral perturbation theory including anomaly effects. While nothing special happens at $m_{u}=0$ for the fixed $m_{d}\not=0$, the neutral pion mass becomes zero at two critical values of $m_{u}$, between which the neutral pion field condenses, leading to a spontaneously CP broken phase, the so-called Dashen phase. We also show that the ”topological susceptibility” in the ChPT diverges at these two critical points. We briefly discuss a possibility that $m_{u}=0$ can be defined by the vanishing the ”topological susceptibility. We finally analyze the case of $m_{u}=m_{d}=m$ with $\theta=\pi$, which is equivalent to $m_{u}=-m_{d}=-m$ with $\theta=0$ by the chiral rotation. In this case, the $\eta$ condensation occurs at small $m$, violating the CP symmetry spontaneously. Deep in the $\eta$ condensation phase, three pions become Nambu-Goldstone bosons, but they show unorthodox behavior at small $m$ that $m_{\pi}^{2}=O(m^{2})$, which, however, is shown to be consistent with the chiral Ward-Takahashi identities. ###### pacs: 12.38.Gc, 13.75.Cs, 21.65.Mn, 26.60.Kp ††preprint: YITP-14-12 ## I Introduction One of possible solutions to the strong CP problem is ”massless up quark”, where the $\theta$ term in QCD can be rotated away by the chiral rotation of up quark without affecting other part of the QCD action. This solution, unfortunately, seems to be ruled out by results from lattice QCD simulationsNelson:2003tb . In a series of papersCreutz:1995wf ; Creutz:2003xu ; Creutz:2003xc ; Creutz:2005gb ; Creutz:2013xfa , however, one of the present authors has argued that a concept of ”massless up quark” is ill-defined if other quarks such as a down quark are all massive, since no symmetry can guarantee masslessness of up quark in this situation due to the chiral anomaly. In addition, it has been also argued that a neutral pion becomes massless at some negative value of up quark mass for the positive down quark mass fixed, and beyond that point, the neutral pion field condenses, forming a spontaneous CP breaking phase, so-called a Dashen phaseDashen:1971aa . Furthermore, at the phase boundary, the topological susceptibility is claimed to diverge due to the massless neutral pion, while it may become zero at the would-be “massless up quark” point. The purpose of this letter is to investigate above properties of QCD with non- degenerate quarks in more detail, using the chiral perturbation theory (ChPT) with the effect of anomaly included as the determinant term. For simplicity, we consider the $N_{f}=2$ case with $m_{u}\not=m_{d}$, but a generalization to an arbitrary number of $N_{f}$ is straightforward with a small modification. Our analysis explicitly demonstrates the above-mentioned properties such as an absence of any singularity at $m_{u}=0$ and the existence of the Dashen phase with the appearance of a massless pion at the phase boundaries. We further apply our analysis to the case of $m_{u}=m_{d}=m$ with $\theta=\pi$, which is equivalent to $m_{u}=-m_{d}=-m$ with $\theta=0$ by the chiral rotation. We show that, while $\eta$ condensation occurs, violating the CP symmetry spontaneously, three pions become Nambu-Glodstone (NG) bosons at $m=0$ deep in the $\eta$ condensation phase. We also show a unorthodox behavior at small $m$ that $m_{\pi}^{2}=O(m^{2})$, which is indeed shown to be consistent with the chiral Ward-Takahashi identities (WTI). ## II Phase structure, masses and topological susceptibility The theory we consider in this letter is given by $\displaystyle{\cal L}$ $\displaystyle=$ $\displaystyle\frac{f^{2}}{2}{\rm tr}\,\left(\partial_{\mu}U\partial^{\mu}U^{\dagger}\right)-\frac{1}{2}{\rm tr}\,\left(M^{\dagger}U+U^{\dagger}M\right)$ (1) $\displaystyle-$ $\displaystyle\frac{\Delta}{2}\left(\det U+\det U^{\dagger}\right),$ where $f$ is the pion decay constant, $M$ is a quark mass matrix, and $\Delta$ is a positive constant giving an additional mass to an eta meson. Differences between an ordinary ChPT and the above theory we consider are the presence of the determinant term222Based on the large $N$ behavior, it is standard to use $(\log\det U)^{2}$ term to incorporate anomaly effects into ChPTWitten:1980sp ; Rosenzweig:1979ay ; Kawarabayashi:1980dp ; Arnowitt:1980ne . Since we can determine the phase structure only numerically in this case, we instead employ $\det U$ term in our analysis, which leads to he phase structure determined analytically. We have checked that the two cases lead to a qualitatively similar phase structure except at large quark masses., which breaks $U(1)$ axial symmetry, thus representing the anomaly effect, and field $U\in U(N_{f})$ instead of $U\in SU(N_{f})$. We here ignore $\det U$ terms with derivatives for simplicity, since they do not change our conclusions. For $N_{f}=2$, without a loss of generality, the mass term is taken as $\displaystyle M$ $\displaystyle=$ $\displaystyle e^{i\theta}\left(\begin{array}[]{cc}m_{u}&0\\\ 0&m_{d}\\\ \end{array}\right)\equiv e^{i\theta}2B\left(\begin{array}[]{cc}m_{0u}&0\\\ 0&m_{0d}\\\ \end{array}\right),$ (6) where $B$ is related to the magnitude of the chiral condensate, $m_{0u,0d}$ are bare quark masses, and $\theta$ represents the $\theta$ parameter in QCD. We consider that any explicit $F\tilde{F}$ term in the action has been rotated into the mass matrix. In the most of our analysis, we take $\theta=0$, but an extension of our analysis to $\theta\not=0$ is straight-forward. Let us determine the vacuum structure of the theory at $m_{u}\not=m_{d}$. Minimizing the action with $\displaystyle U(x)$ $\displaystyle=$ $\displaystyle U_{0}=e^{i\varphi_{0}}e^{i\sum_{a=1}^{3}\tau^{a}\varphi_{a}},$ (7) we obtain the phase structure given in Fig. 1, which is symmetric with respect to $m_{+}\equiv m_{u}+m_{d}=0$ axis and $m_{-}\equiv m_{d}-m_{u}=0$ axis, separately. The former symmetry is implied by the chiral rotation that $U\rightarrow e^{i\pi\tau^{1}/2}Ue^{i\pi\tau^{1}/2}$ ($\psi\rightarrow e^{i\pi\gamma_{5}\tau^{1}/2}\psi$ for the quark), while the latter by the vector rotation that $U\rightarrow e^{i\pi\tau^{1}/2}Ue^{-i\pi\tau^{1}/2}$ ($\psi\rightarrow e^{i\pi\tau^{1}/2}\psi$ )333This phase structure seems incompatible with the 1+1 flavor QCD with rooted staggered quarks, which is symmetric individually under $m_{u}\rightarrow-m_{u}$ or $m_{d}\rightarrow- m_{d}$. This suggests that the rooted trick for the staggered quarks can not be used in a region at $m_{d}m_{u}<0$.. Figure 1: Phase structure in $m_{u}$-$m_{d}$ plain, where the CP breaking Dashen phase are shaded in blue, while the CP preserving phase with $U_{0}=\tau^{3}$ (lower right) or $U_{0}=-\tau^{3}$ (upper left) are shaded in red. In the phase A (white), $U_{0}={\bf 1}_{2\times 2}$ (upper right) or $U_{0}=-{\bf 1}_{2\times 2}$(lower left), while $U_{0}=\tau^{3}$ (lower right) or $U_{0}=-\tau^{3}$ (upper left) in the phase C (shaded in red). In the phase B (shaded in blue), we have nontrivial minimum with $\displaystyle\sin^{2}(\varphi_{3})$ $\displaystyle=$ $\displaystyle\frac{(m_{d}-m_{u})^{2}\\{(m_{u}+m_{d})^{2}\Delta^{2}-m_{u}^{2}m_{d}^{2}\\}}{4m_{u}^{3}m_{d}^{3}}$ (8) $\displaystyle\sin^{2}(\varphi_{0})$ $\displaystyle=$ $\displaystyle\frac{(m_{u}+m_{d})^{2}\Delta^{2}-m_{u}^{2}m_{d}^{2}}{4m_{u}m_{d}\Delta^{2}},$ (9) which breaks CP symmetry spontaneously, since $\langle\pi^{0}\rangle={\rm tr}\,\tau^{3}(U_{0}-U_{0}^{\dagger})/(2i)=2\cos(\varphi_{0})\sin(\varphi_{3})$ and $\langle\eta\rangle={\rm tr}\,(U_{0}-U_{0}^{\dagger})/(2i)=2\sin(\varphi_{0})\cos(\varphi_{3})$. This phase, where the neutral pion and the eta fields condense, corresponds to the Dashen phase. The spontaneous CP breaking 2nd-order phase transition occurs at the boundaries of the Dashen phase: Lines between phase A and phase B, on which $\sin^{2}\varphi_{3}=\sin^{2}\varphi_{0}=0$, are defined by $(m_{d}+m_{u})\Delta+m_{d}m_{u}=0$ (a line $\overline{aa^{\prime}}$) and $(m_{d}+m_{u})\Delta-m_{d}m_{u}=0$ (a line $\overline{bb^{\prime}}$), while those between $B$ and $C$, on which $\sin^{2}\varphi_{3}=\sin^{2}\varphi_{0}=1$, are given by $(m_{d}-m_{u})\Delta+m_{d}m_{u}=0$ (a line $\overline{ab}$) and $(m_{d}-m_{u})\Delta-m_{d}m_{u}=0$ (a line $\overline{a^{\prime}b^{\prime}}$). Note that $\sin^{2}\varphi_{3}=1$ also on a $m_{+}=0$ line. We next calculate pseudo-scalar meson masses in each phase. Expanding $U(x)$ around $U_{0}$ as $U(x)=U_{0}e^{i\Pi(x)/f}$ with $\displaystyle\Pi(x)$ $\displaystyle=$ $\displaystyle\left(\begin{array}[]{cc}\displaystyle\frac{\eta(x)+\pi_{0}(x)}{\sqrt{2}}&\pi_{-}(x)\\\ \pi_{+}(x)&\displaystyle\frac{\eta(x)+\pi_{0}(x)}{\sqrt{2}}\\\ \end{array}\right),$ (12) the mass term is given by $\displaystyle{\cal L}^{M}$ $\displaystyle=$ $\displaystyle\frac{m_{+}(\vec{\varphi})}{4f^{2}}\left\\{\eta^{2}(x)+\pi_{0}^{2}(x)+2\pi_{+}(x)\pi_{-}(x)\right\\}$ (13) $\displaystyle+$ $\displaystyle\frac{\delta m}{2f^{2}}\eta^{2}(x)-\frac{m_{-}(\vec{\varphi})}{2f^{2}}\eta(x)\pi_{0}(x),$ where $m_{\pm}(\vec{\varphi})=m_{\pm}\cos(\varphi_{0})\cos(\varphi_{3})+m_{\mp}\sin(\varphi_{0})\sin(\varphi_{3})$ with $\delta m=2\Delta\cos(2\varphi_{0})$. While the charged meson mass $m_{\pi_{\pm}}$ is simply given by $m_{\pi_{\pm}}^{2}=m_{+}(\vec{\varphi})/(2f^{2})$, mass eigenstates, $\displaystyle\left(\begin{array}[]{c}\tilde{\pi}_{0}(x)\\\ \tilde{\eta}(x)\\\ \end{array}\right)$ $\displaystyle=$ $\displaystyle\frac{1}{\sqrt{2X}}\left(\begin{array}[]{c}X_{+}^{1/2}\pi_{0}(x)+X_{-}^{1/2}\eta(x)\\\ X_{-}^{1/2}\pi_{0}(x)-X_{+}^{1/2}\eta(x)\\\ \end{array}\right),$ (18) have $\displaystyle m_{\tilde{\pi}_{0}}^{2}$ $\displaystyle=$ $\displaystyle\frac{1}{2f^{2}}\left[m_{+}(\vec{\varphi})+\delta m-X\right],$ (19) $\displaystyle m_{\tilde{\eta}}^{2}$ $\displaystyle=$ $\displaystyle\frac{1}{2f^{2}}\left[m_{+}(\vec{\varphi})+\delta m+X\right],$ (20) where $X=\sqrt{m_{-}(\vec{\varphi})^{2}+\delta m^{2}}$ and $X_{\pm}=X\pm\delta m$. We here choose $\tilde{\pi}_{0}$ and $\tilde{\eta}$ such that $m_{\tilde{\pi}_{0}}^{2}\leq m_{\tilde{\eta}}^{2}$. It is then easy to see $m_{\tilde{\pi}_{0}}^{2}\leq m_{\pi_{\pm}}^{2}\leq m_{\tilde{\eta}}^{2}$. By plugging $\varphi_{0}$ and $\varphi_{3}$ into the above formula, we obtain meson masses in each phase. Here we show that $m_{\tilde{\pi}_{0}}^{2}=0$ at all phase boundaries, to demonstrate that the phase transition is indeed of second order. In the phase A, we have $\displaystyle m_{\tilde{\pi}_{0}}^{2}$ $\displaystyle=$ $\displaystyle\frac{1}{2f^{2}}\left[|m_{+}|+2\Delta-\sqrt{m_{-}^{2}+4\Delta}\right],$ (21) which becomes zero at $(m_{d}+m_{u})\Delta+m_{d}m_{u}=0$ (on $\overline{aa^{\prime}}$) and at $(m_{d}+m_{u})\Delta-m_{d}m_{u}=0$ (on $\overline{bb^{\prime}}$). Note that nothing special happens at $m_{u}=0$ (a massless up quark) at $m_{d}\not=0$ as $m_{\tilde{\pi}_{0}}^{2}=(|m_{d}|+2\Delta-\sqrt{m_{d}^{2}+4\Delta})/(2f^{2})$. In the phase C, we obtain $\displaystyle m_{\tilde{\pi}_{0}}^{2}$ $\displaystyle=$ $\displaystyle\frac{1}{2f^{2}}\left[|m_{-}|-2\Delta-\sqrt{m_{+}^{2}+4\Delta}\right],$ (22) $m_{\tilde{\pi}_{0}}^{2}=0$ at $(m_{d}-m_{u})\Delta+m_{d}m_{u}=0$ (on $\overline{ab}$) and at $(m_{d}-m_{u})\Delta-m_{d}m_{u}=0$ (on $\overline{a^{\prime}b^{\prime}}$). In addition, it is easy to check that the massless condition for $\tilde{\pi}_{0}$ that $m_{+}(\vec{\varphi})+\delta m=\sqrt{m_{-}(\vec{\varphi})^{2}+\delta m^{2}}$ in the phase B can be satisfied only on all boundaries of the phase B. So far, we have shown three claims in Creutz:1995wf ; Creutz:2003xu ; Creutz:2003xc ; Creutz:2013xfa that (1) the Dashen phase with spontaneous CP breaking by the pion condensate exists in non-degenerate 2-flavor QCD, (2) the massless neutral pion appears at the boundaries of the Dashen phase, and (3) nothing special happens at $m_{u}=0$ except at $m_{d}=0$. We now consider the relation between the topological susceptibility and $m_{u}$ in the ChPT. To define the topological susceptibility in ChPT, let us consider the chiral U(1) WTI given by $\displaystyle\langle\left\\{\partial^{\mu}A_{\mu}^{0}(x)+{\rm tr}\,M(U^{\dagger}(x)-U(x))-2N_{f}q(x)\right\\}{\cal O}(y)\rangle$ (23) $\displaystyle=$ $\displaystyle\delta^{(4)}(x-y)\langle\delta^{0}{\cal O}(y)\rangle$ where $A_{\mu}=f^{2}{\rm tr}\\{U^{\dagger}(x)\partial_{\mu}U(x)-U(x)\partial U^{\dagger}(x)\\}$ is the U(1) axial current, ${\cal O}$ and $\delta^{0}{\cal O}$ are an arbitrary operator and its infinitesimal local axial U(1) rotation, respectively, and $2N_{f}q(x)\equiv\Delta\\{\det U(x)-\det U^{\dagger}(x)\\}$ corresponds to the topological charge density. Taking ${\cal O}(y)=q(y)$ and integrating over $x$, we define the topological susceptibility in the ChPT through WTI as $\displaystyle 2N_{f}\chi\equiv\int d^{4}x\langle\\{\partial^{\mu}A_{\mu}^{0}(x)+{\rm tr}\,M(U^{\dagger}(x)-U(x))\\}q(y)\rangle,$ $\displaystyle=\frac{\Delta^{2}}{4}\int d^{4}x\langle q(x)q(y)\rangle+\frac{\Delta}{2}\langle\det U(x)+\det U^{\dagger}(x)\rangle,$ (24) where the second term comes from $\delta^{0}q(x)$ in ChPT, which is absent in QCD, but represent an effect of the contact term of $q(x)q(y)$ in ChPT. The leading order in ChPT gives $\displaystyle 2N_{f}\chi$ $\displaystyle=$ $\displaystyle-\frac{4\Delta^{2}m_{+}(\vec{\varphi})}{m_{+}(\vec{\varphi})^{2}-m_{-}(\vec{\varphi})^{2}+2m_{+}(\vec{\varphi})\delta m}+\Delta.$ (25) At $m_{u}=0$, we have $m_{+}(\vec{\varphi})=m_{-}(\vec{\varphi})=|m_{d}|$ and $\delta m=2\Delta$, so that $\displaystyle 2N_{f}\chi=-4\Delta^{2}|m_{d}|/(4|m_{d}|\Delta)+\Delta=0,$ (26) which confirms the statement that (4) $\chi=0$ at $m_{u}=0$. Since the denominator of $\chi$ is proportional to $m_{\tilde{\pi}_{0}}^{2}\times m_{\tilde{\eta}}^{2}$, $\chi\rightarrow-\infty$ on all phase boundaries since $m_{\tilde{\pi}_{0}}^{2}=0$ and $m_{+}(\vec{\varphi})>0$, which again confirms the statement that (5) $\chi$ negatively diverges at the phase boundaries where the neutral pion becomes massless. We have confirmed the five statements in Ref. Creutz:1995wf ; Creutz:2003xu ; Creutz:2003xc ; Creutz:2013xfa , (1) – (5) in the above, by the ChPT analysis. In addition, we have found a new CP preserving phase, the phase C, which has $U_{0}=\pm\tau^{3}$ instead of $U_{0}=\pm{\bf 1}_{2\times 2}$ of the phase A. Since the phase C occurs at rather heavy quark masses such that $m_{u,d}=2Bm^{0}_{u,d}=O(\Delta)$, however, the leading order ChPT analysis may not be reliable for the phase C. Indeed, the phase C seems to disappear if $(\log\det U)^{2}$ is employed instead of $\det U$. Other properties, (1) – (5), on the other hand, are robust, since they already occur near the origin ($m_{u}=m_{d}=0$) in the $m_{u}-m_{d}$ plain and they survive even if $(\log\det U)^{2}$ is used. The property (4) suggests an interesting possibility that one can define $m_{u}=0$ at $m_{d}\not=0$ in 2-flavor QCD from a condition that $\chi=0$. This is different from the standard statement that the effect of $\theta$ term is rotated away at $m_{u}=0$. We instead define $m_{u}=0$ from $\chi=0$, which is equivalent to an absence of the $\theta$ dependence if higher order cumulants of topological charge fluctuations are all absent. A question we may have is whether $\chi=0$ is a well defined condition or not. As already discussed in Ref. Creutz:1995wf ; Creutz:2003xu ; Creutz:2003xc ; Creutz:2013xfa , a value of $\chi$, and thus the $\chi=0$ condition, depend on its definition at finite lattice spacing (cut-off). Although one naively expect such ambiguity of $\chi$ disappears in the continuum limit, we must check a uniqueness of $\chi$ explicitly in lattice QCD calculations by demonstrating that $\chi$ from two different definitions but at same physical parameters agree in the continuum limit. If the uniqueness of $\chi$ can be established, one should calculate $\chi$ at the physical point of 1+ 1+1 flavor QCD in the continuum limit. If $\chi\not=0$ in the continuum limit, the solution to the U(1) problem by the massless up quark ( $\chi=0$ in our definition) is ruled out. ## III Degenerate 2-flavor QCD at $\theta=\pi$ In the remainder of this letter, as an application of our analysis, we consider the 2-flavor QCD with $m_{u}=m_{d}=m$ and $\theta=0$, which is equivalent to the 2-flavor QCD with $m_{u}=-m_{d}$ but $\theta=0$. In both systems, we have a SU(2) symmetry generated by $\\{\tau^{1},\tau^{2},\tau^{3}\\}$ for the former or $\\{\tau^{1}\gamma_{5},\tau^{2}\gamma_{5},\tau^{3}\\}$ for the latter. We here give results for the former case, but a reinterpretation of results in the latter case is straightforward. The vacuum is given by $\varphi_{3}=0$ and $\displaystyle\cos\varphi_{0}$ $\displaystyle=$ $\displaystyle\left\\{\begin{array}[]{lc}1,&2\Delta\leq m\\\ \displaystyle\frac{m}{2\Delta},&-2\Delta<m<2\Delta\\\ -1,&m\leq-2\Delta\\\ \end{array}\right.,$ (30) which leads to $\displaystyle\langle\bar{\psi}i\gamma_{5}\psi\rangle$ $\displaystyle=$ $\displaystyle\left\\{\begin{array}[]{lc}0,&m^{2}\geq 4\Delta^{2}\\\ \pm 2\sqrt{1-\displaystyle\frac{m^{2}}{4\Delta^{2}}},&m^{2}<4\Delta^{2}\\\ \end{array}\right.,$ (33) $\displaystyle\langle\bar{\psi}\psi\rangle$ $\displaystyle=$ $\displaystyle\left\\{\begin{array}[]{lc}2,&2\Delta\leq m\\\ \displaystyle\frac{m}{\Delta},&-2\Delta<m<2\Delta\\\ -2,&m\leq-2\Delta\\\ \end{array}\right.,$ (37) showing the spontaneous CP symmetry breaking at $m^{2}<4\Delta^{2}$. Note that $\langle\bar{\psi}\psi\rangle^{2}+\langle\bar{\psi}i\gamma_{5}\psi\rangle^{2}=4$ at all $m$. PS meson masses are calculated as $\displaystyle m_{\pi}^{2}$ $\displaystyle=$ $\displaystyle m_{\pi_{\pm}}^{2}=m_{\pi_{0}}^{2}=\left\\{\begin{array}[]{ll}\displaystyle\frac{1}{2f^{2}}2|m|,&m^{2}\geq 4\Delta^{2}\\\ \displaystyle\frac{1}{2f^{2}}\frac{m^{2}}{\Delta},&m^{2}<4\Delta^{2}\\\ \end{array}\right.,$ (40) $\displaystyle m_{\eta}^{2}$ $\displaystyle=$ $\displaystyle\left\\{\begin{array}[]{ll}\displaystyle\frac{1}{2f^{2}}\left[2|m|-4\Delta\right],&m^{2}\geq 4\Delta^{2}\\\ \displaystyle\frac{1}{2f^{2}}\frac{4\Delta^{2}-m^{2}}{\Delta},&m^{2}<4\Delta^{2}\\\ \end{array}\right.,$ (43) where $\eta$ becomes massless at the phase boundaries at $m^{2}=4\Delta^{2}$, showing that $\eta$ is the massless mode associated with the spontaneous CP symmetry breaking phase transition, while three pion become massless Nambu- Goldstone modes at $m=0$. Fig. 2 represents these behaviors. Figure 2: $m_{\pi}^{2}$ (blue) and $m_{\eta}^{2}$ (red) in unit of $\frac{\Delta}{f^{2}}$ as a function of $m$. As mentioned before, although ChPT analysis around the phase transition points at $m^{2}=4\Delta^{2}$ may not be reliable444Indeed, both CP preserving phase, which correspond to the phase C, and the phase transition points, disappear if $(\log\det U)^{2}$ term is employed instead of $\det U$ term. In this case CP is broken at all $m$., we can trust the results near $m=0$ that the CP symmetry is spontaneously broken by the $\eta$ condensation in the degenerate 2-flavor QCD with $\theta=\pi$ and three pions become massless NG bosons at $m=0$. Pion masses, however, behaves as $m_{\pi}^{2}=m^{2}/(2f^{2}\Delta)$ near $m=0$, contrary to the orthodox PCAC relation that $m_{\pi}^{2}=|m|/(2f^{2})$555A similar behavior has been predicted in a different contextKnecht:1994zb ; Stern:1997ri ; Stern:1998dy .. Let us show that this unorthodox relation can be explained by the WTI. The integrated WTI for the non-singlet chiral rotation with $\tau^{3}$ and ${\cal O}={\rm tr}\,\tau^{3}(U^{\dagger}-U)$ reads $\displaystyle m\int d^{4}x\,{\rm tr}\,\tau^{3}(U^{\dagger}-U)(x){\rm tr}\,\tau^{3}(U^{\dagger}-U)(y)\rangle$ (44) $\displaystyle=$ $\displaystyle-2\langle{\rm tr}\,(U+U^{\dagger})(y)\rangle,$ which leads to $\displaystyle m_{\pi_{0}}^{2}$ $\displaystyle=$ $\displaystyle\frac{m}{f^{2}}\cos\varphi_{0}=\frac{m^{2}}{f^{2}}\frac{m}{2\Delta}.$ (45) This tells us that one $m$ explicitly comes from the WTI, the other $m$ from the VEV of $\bar{\psi}\psi$, giving the unorthodox relation that $\displaystyle m_{\pi}^{2}$ $\displaystyle=$ $\displaystyle\frac{m^{2}}{2f^{2}\Delta}.$ (46) It is interesting and challenging, because of sign problems, to confirm this prediction by lattice QCD simulations with $\theta=\pi$, and to consider possible applications of this to particle physics Dashen:1971aa . ###### Acknowledgements. S.A thanks Dr. T. Hatsuda for useful comments. S.A is partially supported by Grant-in-Aid for Scientific Research on Innovative Areas(No.2004:20105001) and for Scientific Research (B) 25287046 and SPIRE (Strategic Program for Innovative REsearch). ## References * (1) D. R. Nelson, G. T. Fleming and G. W. Kilcup, Phys. Rev. Lett. 90, 021601 (2003) [hep-lat/0112029]. * (2) M. Creutz, Phys. Rev. D 52, 2951 (1995) [hep-th/9505112]. * (3) M. Creutz, Phys. Rev. Lett. 92, 201601 (2004) [hep-lat/0312018]. * (4) M. Creutz, Phys. Rev. Lett. 92, 162003 (2004) [hep-ph/0312225]. * (5) M. Creutz, PoS, LAT2005:119 (2006). * (6) M. Creutz, Annals Phys. 339, 560 (2013) [arXiv:1306.1245 [hep-lat]]. * (7) R. F. Dashen, Phys. Rev. D 3, 1879 (1971). * (8) E. Witten, Annals Phys. 128, 363 (1980). * (9) C. Rosenzweig, J. Schechter, and C.G. Trahern, Phys. Rev. D21 (1980)3388. * (10) Ken Kawarabayashi and Nobuyoshi Ohta. Nucl. Phys. B175 (1980) 477. * (11) Richard L. Arnowitt and Pran Nath. Nucl. Phys. B209 (1982) 234. * (12) M. Knecht and J. Stern, hep-ph/9411253. * (13) J. Stern, In *Mainz 1997, Chiral dynamics: Theory and experiment* 26-45 [hep-ph/9712438]. * (14) J. Stern, [hep-ph/9801282].
arxiv-papers
2014-02-08T09:52:02
2024-09-04T02:49:57.967692
{ "license": "Public Domain", "authors": "Sinya Aoki and Michael Creutz", "submitter": "Sinya Aoki", "url": "https://arxiv.org/abs/1402.1837" }
1402.1922
1em1em # Amortised Resource Analysis and Typed Polynomial Interpretations (extended version)††thanks: This research is partly supported by FWF (Austrian Science Fund) project P25781. Martin Hofmann Institute of Computer Science LMU Munich Germany email [email protected] Georg Moser Institute of Computer Science University of Innsbruck Austria email [email protected] ###### Abstract We introduce a novel resource analysis for typed term rewrite systems based on a potential-based type system. This type system gives rise to polynomial bounds on the innermost runtime complexity. We relate the thus obtained amortised resource analysis to polynomial interpretations and obtain the perhaps surprising result that whenever a rewrite system $\mathcal{R}$ can be well-typed, then there exists a polynomial interpretation that orients $\mathcal{R}$. For this we adequately adapt the standard notion of polynomial interpretations to the typed setting. _Key words_ : Term Rewriting, Types, Amortised Resource Analysis, Complexity of Rewriting, Polynomial Interpretations ## 1 Introduction In recent years there have been several approaches to the automated analysis of the complexity of programs. Mostly these approaches have been developed independently in different communities and use a variety of different, not easily comparable techniques. Without hope for completeness, we mention work by Albert et al. AAGP:2011 that underlies COSTA, an automated tool for the resource analysis of Java programs. Related work, targeting C programs, has been reported by Alias et al. ADFG:2010 . In Zuleger et al. ZGSV:2011 further approaches for the runtime complexity analysis of C programs is reported, incorporated into LOOPUS. Noschinski et al. NoschinskiEG13 study runtime complexity analysis of rewrite systems, which has been incorporated in AProVE. Finally, the RaML prototype HAH:2012 provides an automated potential-based resource analysis for various resource bounds of functional programs and TCT AvanziniM13a is one of the most powerful tools for complexity analysis of rewrite systems. Despite the abundance in the literature almost no comparison results are known that relate the sophisticated methods developed. Indeed a precise comparison often proves difficult. For example, on the surface there is an obvious connection between the decomposition techniques established by Gulwani and Zuleger in GulwaniZuleger:2010 and recent advances on this topic in the complexity analysis of rewrite systems, cf. AvanziniM13 . However, when investigated in detail, precise comparison results are difficult to obtain. We exemplify the situation with a simple example that will also serve as running example throughout the paper. ###### Example 1.1. Consider the following term rewrite system (TRS for short) $\mathcal{R}_{\mathsf{que}}$, encoding a variant of an example by Okasaki (Okasaki:1999, , Section 5.2). $\displaystyle 1\colon$ $\displaystyle\mathsf{chk}(\mathsf{que}(\mathsf{nil},r))$ $\displaystyle\to\mathsf{que}(\mathsf{rev}(r),\mathsf{nil})$ $\displaystyle\hskip 25.83325pt7\colon$ $\displaystyle\mathsf{enq}(\mathsf{0})$ $\displaystyle\to\mathsf{que}(\mathsf{nil},\mathsf{nil})$ $\displaystyle 2\colon$ $\displaystyle\mathsf{chk}(\mathsf{que}(x\mathrel{\mathsf{\sharp}}xs,r))$ $\displaystyle\to\mathsf{que}(x\mathrel{\mathsf{\sharp}}xs,r)$ $\displaystyle\hskip 25.83325pt8\colon$ $\displaystyle\mathsf{rev^{\prime}}(\mathsf{nil},ys)$ $\displaystyle\to ys$ $\displaystyle 3\colon$ $\displaystyle\mathsf{tl}(\mathsf{que}(x\mathrel{\mathsf{\sharp}}f,r))$ $\displaystyle\to\mathsf{chk}(\mathsf{que}(f,r))$ $\displaystyle\hskip 25.83325pt9\colon$ $\displaystyle\mathsf{rev}(xs)$ $\displaystyle\to\mathsf{rev^{\prime}}(xs,\mathsf{nil})$ $\displaystyle 4\colon$ $\displaystyle\mathsf{snoc}(\mathsf{que}(f,r),x)$ $\displaystyle\to\mathsf{chk}(\mathsf{que}(f,x\mathrel{\mathsf{\sharp}}r))$ $\displaystyle\hskip 25.83325pt10\colon$ $\displaystyle\mathsf{hd}(\mathsf{que}(x\mathrel{\mathsf{\sharp}}f,r))$ $\displaystyle\to x$ $\displaystyle 5\colon$ $\displaystyle\mathsf{rev^{\prime}}(x\mathrel{\mathsf{\sharp}}xs,ys)$ $\displaystyle\to\mathsf{rev^{\prime}}(xs,x\mathrel{\mathsf{\sharp}}ys)$ $\displaystyle\hskip 25.83325pt11\colon$ $\displaystyle\mathsf{hd}(\mathsf{que}(\mathsf{nil},r))$ $\displaystyle\to\mathsf{err\\_head}$ $\displaystyle 6\colon$ $\displaystyle\mathsf{enq}(\mathsf{s}(n))$ $\displaystyle\to\mathsf{snoc}(\mathsf{enq}(n),n)$ $\displaystyle\hskip 25.83325pt12\colon$ $\displaystyle\mathsf{tl}(\mathsf{que}(\mathsf{nil},r))$ $\displaystyle\to\mathsf{err\\_tail}$ $\mathcal{R}_{\mathsf{que}}$ encodes an efficient implementation of a queue in functional programming. A queue is represented as a pair of two lists $\mathsf{que}(f,r)$, encoding the initial part $f$ and the reversal of the remainder $r$. Invariant of the algorithm is that the first list never becomes empty, which is achieved by reversing $r$ if necessary. Should the invariant ever be violated, an exception ($\mathsf{err\\_head}$ or $\mathsf{err\\_tail}$) is raised. We exemplify the physicist’s method of amortised analysis Tarjan:1985 . We assign to every queue $\mathsf{que}(f,r)$ the length of $r$ as _potential_. Then the amortised cost for each operation is constant, as the costly reversal operation is only executed if the potential can pay for the operation, compare Okasaki:1999 . Thus, based on an amortised analysis, we deduce the optimal linear runtime complexity for $\mathcal{R}$. On the other hand let us attempt an application of the interpretation method to this example. Termination proofs by interpretations are well-established and can be traced back to work by Turing Turing:49 . We note that $\mathcal{R}_{\mathsf{que}}$ is polynomially terminating. Moreover, it is rather straightforward to restrict so-called _polynomial interpretations_ BN98 suitably so that compatibility of a TRS $\mathcal{R}$ induces polynomial runtime complexity, cf. BonfanteCMT01 . Such polynomial interpretations are called _restricted_. However, it turns out that no restricted polynomial interpretation can exist that is compatible with $\mathcal{R}_{\mathsf{que}}$. The reasoning is simple. The constraints induced by $\mathcal{R}_{\mathsf{que}}$ imply that the function $\mathsf{snoc}$ has to be interpreted by a linear polynomial. Thus an exponential interpretation is required for enqueuing ($\mathsf{enq}$). Looking more closely at the different proofs, we observe the following. While in the amortised analysis the potential of a queue $\mathsf{que}(f,r)$ depends only on the remainder $r$, the interpretation of $\mathsf{que}$ has to be monotone in both arguments by definition. This difference induces that $\mathsf{snoc}$ is assigned a strongly linear potential in the amortised analysis, while only a linear interpretation is possible for $\mathsf{snoc}$. Still it is possible to precisely relate amortised analysis to polynomial interpretations if we base our investigation on many-sorted (or typed) TRSs and make suitable use of the concept of _annotated types_ originally introduced in HofmannJ03 . More precisely, we establish the following results. We establish a novel runtime complexity analysis for typed constructor rewrite systems. This complexity analysis is based on a potential-based amortised analysis incorporated into a type system. From the annotated type of a term its derivation height with respect to innermost rewriting can be read off (see Theorem 3.1). The correctness proof of the obtained bound rests on a suitable big-step semantics for rewrite systems, decorated with counters for the derivation height of the evaluated terms. We complement this big-step semantics with a similar decorated small-step semantics and prove equivalence between these semantics. Furthermore we strengthen our first result by a similar soundness result based on the small-step semantics (see Theorem 4.1). Exploiting the small-step semantics we prove our main result that from the well-typing of a TRS $\mathcal{R}$ we can read off a typed polynomial interpretation that orients $\mathcal{R}$ (see Theorem 5.1). While the type system exhibited is inspired by Hoffmann et al. HoffmannH10a we generalise their use of annotated types to arbitrary (data) types. Furthermore the introduced small-step semantics (and our main result) directly establish that any well-typed TRS is terminating, thus circumventing the notion of partial big-step semantics introduced in HoffmannH10b . Our main result can be condensed into the following observations. The physicist’s method of amortised analysis conceptually amounts to the interpretation method if we allow for the following changes: * • Every term bears a potential, not only constructor terms. * • Polynomial interpretations are defined over annotated types. * • The standard compatibility constraint is weakened to orientability, that is, all ground instances of a rule strictly decrease. Our study is purely theoretic, and we have not (yet) attempted an implementation of the provided techniques. However, automation appears straightforward. Furthermore we have restricted our study to typed (constructor) TRSs. In the conclusion we sketch application of the established results to innermost runtime complexity analysis of untyped TRSs. This paper is structured as follows. In the next section we cover some basics and introduce a big-step operational semantics for typed TRSs. In Section 3 we clarify our definition of annotated types and provide the mentioned type system. We also present our first soundness result. In Section 4 we introduce a small-step operational semantics and prove our second soundness result. Our main result will be stated and proved in Section 5. Finally, we conclude in Section 6, where we also mention future work. ## 2 Typed Term Rewrite Systems Let $\mathcal{C}$ denote a finite, non-empty set of _constructor symbols_ and $\mathcal{D}$ a finite set of _defined function symbols_. Let $S$ be a finite set of (data) types. A family $(X_{A})_{A\in S}$ of sets is called _$S$ -typed_ and denotes as $X$. Let $\mathcal{V}$ denote an $S$-typed set of _variables_ , such that the $\mathcal{V}_{s}$ are pairwise disjoint. In the following, variables will be denoted by $x$, $y$, $z$, …, possibly extended by subscripts. Following JR99 , a _type declaration_ is of form $[{A_{1}\times\cdots\times A_{n}}]\to{C}$, where $A_{i}$ and $C$ are types. Type declarations serve as input-output specifications for function symbols. We write $A$ instead of $[{}]\to{A}$. A _signature_ $\mathcal{F}$ (with respect to the set of types $S$) is a mapping from $\mathcal{C}\cup\mathcal{D}$ to type declarations. We often write ${f}{:}\,{[{A_{1}\times\cdots\times A_{n}}]\to{C}}$ if $\mathcal{F}(f)=[{A_{1}\times\cdots\times A_{n}}]\to{C}$ and refer to a type _declaration_ as a type, if no confusion can arise. We define the $S$-typed set of terms $\operatorname{\mathcal{T}}(\mathcal{D}\cup\mathcal{C},\mathcal{V})$ (or $\operatorname{\mathcal{T}}$ for short): (i) for each $A\in S$: $\mathcal{V}_{A}\subseteq\operatorname{\mathcal{T}}_{A}$, (ii) for $f\in\mathcal{C}\cup\mathcal{D}$ such that $\mathcal{F}(f)=[{A_{1},\dots,A_{n}}]\to{A}$ and $t_{i}\in\operatorname{\mathcal{T}}_{A_{i}}$, we have $f(t_{1},\dots,t_{n})\in\operatorname{\mathcal{T}}_{A}$. Type assertions are denoted ${t}{:}\,{C}$. Terms of type $A$ will sometimes be referred to as instances of $A$: a term of list type, is simply called a list. If $t\in\operatorname{\mathcal{T}}(\mathcal{C},\varnothing)$ then $t$ is called a _ground constructor term_ or a _value_. The set of values is denoted $\operatorname{\mathcal{T}}(\mathcal{C})$. The ($S$-typed) set of variables of a term $t$ is denoted $\operatorname{\mathcal{V}\mathsf{ar}}(t)$. The root of $t$ is denoted $\operatorname{\mathsf{rt}}(t)$ and the size of $t$, that is the number of symbols in $t$, is denoted as $\lvert{t}\rvert$. In the following, terms are denoted by $s$, $t$, $u$, …, possibly extended by subscripts. Furthermore, we use $v$ (possibly indexed) to denote values. A _substitution_ $\sigma$ is a mapping from variables to terms that respects types. Substitutions are denoted as sets of assignments: $\sigma=\\{x_{1}\mapsto t_{1},\dots,x_{n}\mapsto t_{n}\\}$. We write $\operatorname{\mathsf{dom}}(\sigma)$ ($\operatorname{\mathsf{rg}}(\sigma)$) to denote the domain (range) of $\sigma$; $\operatorname{\mathcal{V}\mathsf{rg}}(\sigma)\mathrel{:=}\operatorname{\mathcal{V}\mathsf{ar}}(\operatorname{\mathsf{rg}}(\sigma))$. Let $\sigma$ be a substitution and $V$ be a set of variables; ${\sigma}\\!\restriction\\!{V}$ denotes the restriction of the domain of $\sigma$ to $V$. The substitution $\sigma$ is called a _restriction_ of a substitution $\tau$ if ${\tau}\\!\restriction\\!{\operatorname{\mathsf{dom}}(\sigma)}=\sigma$. Vice versa, $\tau$ is called _extension_ of $\sigma$. Let $\sigma$, $\tau$ be substitutions such that $\operatorname{\mathsf{dom}}(\sigma)\cap\operatorname{\mathsf{dom}}(\tau)=\varnothing$. Then we denote the (disjoint) union of $\sigma$ and $\tau$ as $\sigma\mathrel{\uplus}\tau$. We call a substitution $\sigma$ _normalised_ if all terms in the range of $\sigma$ are values. In the following, all considered substitutions will be normalised. A _typing context_ is a mapping from variables $\mathcal{V}$ to types. Type contexts are denoted by upper-case Greek letters. Let $\Gamma$ be a context and let $t$ be a term. The typing relation ${\Gamma}\sststile{}{}{}{{t}{:}\,{A}}$ expresses that based on context $\Gamma$, $t$ has type $A$ (with respect to the signature $\mathcal{F}$). The typing rules that define the typing relation are given in Figure 2, where we forget the annotations. In the sequel we sometimes make use of an abbreviated notation for sequences of types $\vec{A}=A_{1},\dots,A_{n}$ and terms $\vec{t}\mathrel{:=}t_{1},\ldots,t_{n}$. A typed rewrite rule is a pair $l\to r$ of terms, such that (i) the type of $l$ and $r$ coincides, (ii) $\operatorname{\mathsf{rt}}(l)\in\mathcal{D}$, and (iii) $\operatorname{\mathcal{V}\mathsf{ar}}(l)\supseteq\operatorname{\mathcal{V}\mathsf{ar}}(r)$. An $S$-typed _term rewrite system_ (_TRS_ for short) over the signature $\mathcal{F}$ is a finite set of typed rewrite rules. We define the _innermost rewrite relation_ $\mathrel{\mathrel{\mathrel{\smash{\xrightarrow{\raisebox{-2.84526pt}{\tiny{$\mathrm{i}$}}}}}}_{\mathcal{R}}}$ for typed TRSs $\mathcal{R}$. For terms $s$ and $t$, $s\mathrel{\mathrel{\mathrel{\smash{\xrightarrow{\raisebox{-2.84526pt}{\tiny{$\mathrm{i}$}}}}}}_{\mathcal{R}}}t$ holds, if there exists a context $C$, a normalised substitution $\sigma$ and a rewrite rule ${l\to r}\in\mathcal{R}$ such that $s=C[l\sigma]$, $t=C[r\sigma]$ and $s$, $t$ are well-typed. In the sequel we are only concerned with _innermost_ rewriting. A TRS is _orthogonal_ if it is left-linear and non- overlapping BN98 ; TeReSe . A TRS is _completely defined_ if all ground normal-forms are values. These notions naturally extend to typed TRS. In particular, note that an orthogonal typed TRS is confluent. ###### Definition 2.1. We define the _runtime complexity_ (with respect to $\mathcal{R}$) as follows: $\operatorname{\mathsf{rc}}(n)\mathrel{:=}\max\\{\operatorname{\mathsf{dh}}(t,\to)\mid\text{$t$ is basic and $\lvert{t}\rvert\leqslant n$}\\}\hbox to0.0pt{$\;$,\hss}$ where a term $t=f(t_{1},\dots,t_{k})$ is called _basic_ if $f$ is defined, and the terms $t_{i}$ are only built over constructors and variables. ${\sigma}\sststile{}{0}{{x}\Rightarrow{v}}x\sigma=v$ ${\sigma}\sststile{}{0}{{c(x_{1},\dots,x_{n})}\Rightarrow{c(v_{1},\dots,v_{n})}}\lx@proof@logical@and c\in\mathcal{C}x_{1}\sigma=v_{1}\cdots x_{n}\sigma=v_{n}$ --- ${\sigma}\sststile{}{m+1}{{f(x_{1},\ldots,x_{n})}\Rightarrow{v}}\lx@proof@logical@and f(l_{1},\ldots,l_{n})\to r\in\mathcal{R}\exists\tau\ \forall i\colon x_{i}\sigma=l_{i}\tau{\sigma\mathrel{\uplus}\tau}\sststile{}{m}{{r}\Rightarrow{v}}$ ${\sigma}\sststile{}{m}{{f(t_{1},\ldots,t_{n})}\Rightarrow{v}}\lx@proof@logical@and\begin{minipage}[b]{129.16626pt} all $x_{i}$ are fresh \hfil\\\ ${\sigma\mathrel{\uplus}\rho}\sststile{}{m_{0}}{{f(x_{1},\ldots,x_{n})}\Rightarrow{v}}$ \hfill\end{minipage}{\sigma}\sststile{}{m_{1}}{{t_{1}}\Rightarrow{v_{1}}}\cdots{\sigma}\sststile{}{m_{n}}{{t_{n}}\Rightarrow{v_{n}}}m=\sum_{i=0}^{n}m_{i}$ Here $\rho\mathrel{:=}\\{x_{1}\mapsto v_{1},\ldots,x_{n}\mapsto v_{n}\\}$. Recall that $\sigma$, $\tau$, and $\rho$ are normalised. Figure 1: Operational Big-Step Semantics We study _typed_ _constructor_ TRSs $\mathcal{R}$, that is, for each rule $f(l_{1},\dots,l_{n})\to r$, the $l_{i}$ are constructor terms. Furthermore, we restrict to _completely defined_ and _orthogonal_ systems. These restrictions are natural in the context of functional programming. If no confusion can arise from this, we simply call $\mathcal{R}$ a TRS. $\mathcal{F}$ denotes the signature underlying $\mathcal{R}$. In the sequel, $\mathcal{R}$ and $\mathcal{F}$ are kept fixed. ###### Example 2.1 (continued from Example 1.1). Consider the TRS $\mathcal{R}_{\mathsf{que}}$ and let $S=\\{\mathsf{Nat},\mathsf{List},\mathsf{Q}\\}$, where $\mathsf{Nat}$, $\mathsf{List}$, and $\mathsf{Q}$ represent the type of natural numbers, lists over over natural number, and queues respectively. Then $\mathcal{R}_{\mathsf{que}}$ is an $S$-typed TRSs over signature $\mathcal{F}$, where the signature of some constructors is as follows: $\displaystyle\mathsf{0}\colon$ $\displaystyle\mathsf{Nat}$ $\displaystyle\hskip 25.83325pt\mathsf{s}\colon$ $\displaystyle[{\mathsf{Nat}}]\to{\mathsf{Nat}}$ $\displaystyle\mathsf{que}\colon$ $\displaystyle[{\mathsf{List}\times\mathsf{List}}]\to{\mathsf{Q}}$ $\displaystyle\mathsf{nil}\colon$ $\displaystyle\mathsf{List}$ $\displaystyle\hskip 25.83325pt\mathrel{\mathsf{\sharp}}\colon$ $\displaystyle[{\mathsf{Nat}\times\mathsf{List}}]\to{\mathsf{List}}\hbox to0.0pt{$\;$.\hss}\hskip 21.52771pt$ In order to exemplify the type declaration of defined function symbols, consider ${\mathsf{snoc}}{:}\,{[{\mathsf{Q}\times\mathsf{Nat}}]\to{\mathsf{Q}}}\hbox to0.0pt{$\;$.\hss}$ As $\mathcal{R}$ is completely defined any derivation ends in a value. On the other hand, as $\mathcal{R}$ is non-overlapping any innermost derivation is determined modulo the order in which parallel redexes are contracted. This allows us to recast innermost rewriting into an operational big-step semantics instrumented with resource counters, cf. Figure 1. The semantics closely resembles similar definitions given in the literature on amortised resource analysis (see for example JLHSH09 ; HoffmannH10a ; HAH12b ). Let $\sigma$ be a (normalised) substitution and let $f(x_{1},\dots,x_{n})$ be a term. It follows from the definitions that $f(x_{1}\sigma,\dots,x_{n}\sigma)\mathrel{\mathrel{\mathrel{\smash{\xrightarrow{\raisebox{-2.84526pt}{\tiny{$\mathrm{i}$}}}}}}^{\ast}_{\mathcal{R}}}v$ iff ${\sigma}\sststile{}{}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}$. More, precisely we have the following proposition. ###### Proposition 2.1. Let $f$ be a defined function symbol of arity $n$ and $\sigma$ a substitution. Then ${\sigma}\sststile{}{m}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}$ holds iff $\operatorname{\mathsf{dh}}(f(x_{1}\sigma,\dots,x_{n}\sigma),\mathrel{\mathrel{\mathrel{\smash{\xrightarrow{\raisebox{-2.84526pt}{\tiny{$\mathrm{i}$}}}}}}_{\mathcal{R}}})=m$ holds. ###### Proof. In proof of the direction from left to right, we show the stronger statement that ${\sigma}\sststile{}{m}{{t}\Rightarrow{v}}$ implies $\operatorname{\mathsf{dh}}(t\sigma,\mathrel{\mathrel{\mathrel{\smash{\xrightarrow{\raisebox{-2.84526pt}{\tiny{$\mathrm{i}$}}}}}}_{\mathcal{R}}})=m$ by induction on the size of the proof of the judgement ${\sigma}\sststile{}{m}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}$. For the opposite direction, we show that if $\operatorname{\mathsf{dh}}(t\sigma,\mathrel{\mathrel{\mathrel{\smash{\xrightarrow{\raisebox{-2.84526pt}{\tiny{$\mathrm{i}$}}}}}}_{\mathcal{R}}})=m$, then ${\sigma}\sststile{}{m}{{t}\Rightarrow{v}}$ by induction on the length of the derivation $D\colon t\sigma\mathrel{\mathrel{\mathrel{\smash{\xrightarrow{\raisebox{-2.84526pt}{\tiny{$\mathrm{i}$}}}}}}^{\ast}_{\mathcal{R}}}v$. ∎ The next (technical) lemma follows by a straightforward inductive argument. ###### Lemma 2.1. Let $t$ be a term, let $v$ be a value and let $\sigma$ be a substitution. If ${\sigma}\sststile{}{m}{{t}\Rightarrow{v}}$ and if $\sigma^{\prime}$ is an extension of $\sigma$, then ${\sigma^{\prime}}\sststile{}{m}{{t}\Rightarrow{v}}$. Furthermore the sizes of the derivations of the corresponding judgements are the same. ## 3 Annotated Types Let $S$ be a set of types. We call a type $A\in S$ _annotated_ , if $A$ is decorated with resource annotation. These annotations will allow us to read off the potential of a well-typed term $t$ from the annotations. ###### Definition 3.1. Let $S$ be a set of types. An _annotated type_ ${A}^{\vec{p}}$, is a pair consisting of a type $A\in S$ and a vector $\vec{p}=(p_{1},\dots,p_{k})$ over non-negative rational numbers, typically natural numbers. The vector $\vec{p}$ is called _resource annotation_. Resource annotations are denoted by $\vec{p}$, $\vec{q}$, $\vec{u}$, $\vec{v}$, …, possibly extended by subscripts and we write $\mathcal{A}$ for the set of such annotations. For resource annotations $(p)$ of length $1$ we write $p$. The empty annotation $()$ is written $0$. We will see that a resource annotation does not change its meaning if zeroes are appended at the end, so, conceptually, we can identify $()$ with $(0)$. If $\vec{p}=(p_{1},\dots,p_{k})$ we write $k=\lvert\vec{p}\rvert$ and $\max\vec{p}=\max_{i}p_{i}$. We define the notations $\vec{p}\leqslant\vec{q}$ and $\vec{p}+\vec{q}$ and $\lambda\vec{p}$ for $\lambda\geqslant 0$ component- wise, filling up with $0$s if needed. So, for example $(1,2)\leqslant(3,4,5)$ and $(1,2)+(3,4,5)=(4,6,5)$. Furthermore, we recall the additive shift HoffmannH10a given by $\operatorname{\triangleleft}(\vec{p})\mathrel{:=}(p_{1}+p_{2},p_{2}+p_{3},\dots,p_{k-1}+p_{k},p_{k})\hbox to0.0pt{$\;$.\hss}$ We also define the interleaving $\vec{p}\interleave\vec{q}$ by $(p_{1},q_{1},p_{2},q_{2},$ $\dots,p_{k},q_{k})$ where, as before the shorter of the two vectors is padded with $0$s. Finally, we use the notation $\Diamond\vec{p}=p_{1}$ for the first entry of an annotation vector. If no confusion can arise, we refer to annotated types simply as types. In contrast to Hoffmann et al. HoffmannH10a ; Hoffmann:2011 , we generalise the concept of annotated types to arbitrary (data) types. In HoffmannH10a only list types, in Hoffmann:2011 list and tree types have been annotated. ###### Definition 3.2. Let $\mathcal{F}$ be a signature. Suppose $\mathcal{F}(f)=[{A_{1}\times\cdots\times A_{n}}]\to{C}$, such that the $A_{i}$ ($i=1,\dots,n$) and $C$ are types. Consider the annotated types $A_{i}^{\vec{u_{i}}}$ and ${A}^{\vec{v}}$. Then an _annotated type declaration_ for $f$ is a type declaration over annotated types, decorated with a number $p$: $[{A_{1}^{\vec{u_{1}}}\times\cdots\times A_{n}^{\vec{u_{n}}}}]\xrightarrow{p}{{C}^{\vec{v}}}\hbox to0.0pt{$\;$.\hss}$ The set of annotated type declarations is denoted as $\mathcal{F}_{\mathsf{pol}}$. We write $A^{0}$ instead of $[{}]\xrightarrow{0}{{A}^{0}}$. We lift signatures to _annotated signatures_ $\mathcal{F}\colon\mathcal{C}\cup\mathcal{D}\to(\operatorname{\mathcal{P}}(\mathcal{F}_{\mathsf{pol}})\setminus\varnothing)$ by mapping a function symbol to a non-empty set of annotated type declarations. Hence for any $f\in\mathcal{C}\cup\mathcal{D}$ we allow multiple types. If $f$ has result type $C$, then for each annotation $C^{\vec{q}}$ there should exist exactly one declaration of the form $[{A_{1}^{\vec{p_{1}}}\times\cdots\times A_{n}^{\vec{p_{n}}}}]\xrightarrow{p}{C^{\vec{q}}}$ in $\mathcal{F}(f)$. Moreover, constructor annotations are to satisfy the _superposition principle_ : If a constructor $c$ admits the annotations $[{A_{1}^{\vec{p_{1}}}\times\cdots\times A_{n}^{\vec{p_{n}}}}]\xrightarrow{p}{C^{\vec{q}}}$ and $[{A_{1}^{\vec{p^{\prime}_{1}}}\times\cdots\times A_{n}^{\vec{p^{\prime}_{n}}}}]\xrightarrow{p^{\prime}}{C^{\vec{q^{\prime}}}}$ then it also has the annotations $[{A_{1}^{\lambda\vec{p_{1}}}\times\cdots\times A_{n}^{\lambda\vec{p_{n}}}}]\xrightarrow{\lambda p}{C^{\lambda\vec{q}}}$ ($\lambda\geqslant 0$) and $[{A_{1}^{\vec{p_{1}}+\vec{p^{\prime}_{1}}}\times\cdots\times A_{n}^{\vec{p_{n}}+\vec{p^{\prime}_{n}}}}]\xrightarrow{p+p^{\prime}}{C^{\vec{q}+\vec{q^{\prime}}}}$. Note that, in view of superposition and uniqueness, the annotations of a given constructor are uniquely determined once we fix the annotated types for result annotations of the form $(0,\dots,0,1)$ (remember the implicit filling up with $0$s). An annotated signature $\mathcal{F}$ is simply called signature, where we sometimes write ${f}{:}\,{[{A_{1}\times\cdots\times A_{n}}]\xrightarrow{p}{C}}$ instead of $[{A_{1}\times\cdots\times A_{n}}]\xrightarrow{p}{C}\in\mathcal{F}(f)$. ###### Example 3.1 (continued from Example 2.1). In order to extend $\mathcal{F}$ to an annotated signature we can set $\displaystyle\mathcal{F}(\mathsf{0})$ $\displaystyle\mathrel{:=}\\{\mathsf{Nat}^{\vec{p}}\mid\vec{p}\in\mathcal{A}\\}$ $\displaystyle\hskip 2.15277pt\mathcal{F}(\mathsf{s})$ $\displaystyle\mathrel{:=}\\{[{\mathsf{Nat}^{\operatorname{\triangleleft}(\vec{p})}}]\xrightarrow{\Diamond\vec{p}}{\mathsf{Nat}^{\vec{p}}}\mid\vec{p}\in\mathcal{A}\\}$ $\displaystyle\mathcal{F}(\mathsf{nil})$ $\displaystyle\mathrel{:=}\\{\mathsf{List}^{\vec{p}}\mid\vec{p}\in\mathcal{A}\\}$ $\displaystyle\hskip 2.15277pt\mathcal{F}(\mathrel{\mathsf{\sharp}})$ $\displaystyle\mathrel{:=}\\{[{\mathsf{Nat}^{0}\times\mathsf{List}^{\operatorname{\triangleleft}(\vec{p})}}]\xrightarrow{\Diamond\vec{p}}{\mathsf{List}^{\vec{p}}}\mid\vec{p}\in\mathcal{A}\\}$ $\displaystyle\mathcal{F}(\mathsf{que})$ $\displaystyle\mathrel{:=}\\{[{\mathsf{List}^{\vec{p}}\times\mathsf{List}^{\vec{q}}}]\xrightarrow{0}{\mathsf{Q}^{{\vec{p}\interleave\vec{q}}}}\mid\vec{p},\vec{q}\in\mathcal{A}\\}$ In particular, we have the typings $\mathrel{\mathsf{\sharp}}:[{\mathsf{Nat}^{0}\times\mathsf{List}^{7}}]\xrightarrow{7}{\mathsf{List}^{7}}$ and $\mathrel{\mathsf{\sharp}}:[{\mathsf{Nat}^{0}\times\mathsf{List}^{(10,7)}}]\xrightarrow{3}{\mathsf{List}^{(3,7)}}$ and $\mathsf{que}:[{\mathsf{List}^{1}\times\mathsf{List}^{3}}]\xrightarrow{0}{\mathsf{Q}^{{(1,3)}}}$. We omit annotations for the defined symbols and refer to Example 3.3 for a complete signature with different constructor annotations. The next definition introduces the notion of the potential of a value. ###### Definition 3.3. Let $v=c(v_{1},\dots,v_{n})\in\operatorname{\mathcal{T}}(\mathcal{C})$ and let $[{A_{1}\times\cdots\times A_{n}}]\xrightarrow{p}{C}\in\mathcal{F}(c)$. Then the _potential_ of $v$ is defined inductively as $\Phi({v}{:}\,{C})\mathrel{:=}p+\Phi({v_{1}}{:}\,{A_{1}})+\cdots+\Phi({v_{n}}{:}\,{A_{n}})\hbox to0.0pt{$\;$.\hss}$ Note that by assumption the declaration in $\mathcal{F}(c)$ is unique. ###### Example 3.2 (continued from Example 3.1). It is easy to see that for any term $t$ of type $\mathsf{Nat}^{0}$, we have $\Phi({t}{:}\,{\mathsf{Nat}^{0}})=0$ and $\Phi({t}{:}\,{\mathsf{Nat}^{\lambda}})=\lambda t$. If $l$ is a list then $\Phi({l}{:}\,{\mathsf{List}^{(p,q)}})=p\cdot\lvert l\rvert+q\cdot\binom{\lvert l\rvert}{2}$. where $\lvert l\rvert$ denotes the length of $l$, that is the number of $\mathrel{\mathsf{\sharp}}$ in $l$. Let $\lvert l\rvert=\ell$. We proceed by induction on $\ell$. Let $\ell=0$. Then $\Phi({\mathsf{nil}}{:}\,{\mathsf{List}^{(p,q)}})=0$ as required. Suppose $\ell=\ell^{\prime}+1$: $\displaystyle\Phi({n\mathrel{\mathsf{\sharp}}l^{\prime}}{:}\,{\mathsf{List}^{(p,q)}})$ $\displaystyle=p+\Phi({n}{:}\,{\mathsf{Nat}^{0}})+\Phi({l^{\prime}}{:}\,{\mathsf{List}^{(p+q,q)}})$ $\displaystyle=p+(p+q)\cdot\ell^{\prime}+q\cdot\binom{\ell^{\prime}}{2}$ $\displaystyle=p\cdot\ell+q\cdot\left[\binom{\ell^{\prime}}{1}+\binom{\ell^{\prime}}{2}\right]=p\cdot\ell+q\cdot\binom{\ell}{2}\hbox to0.0pt{$\;$.\hss}$ More generally, we have $\Phi({l}{:}\,{\mathsf{List}^{\vec{p}}})=\sum_{i}p_{i}\binom{\lvert l\rvert}{i}$. Finally, if $\mathsf{que}(l,k)$ has type $\mathsf{Q}$ then $\Phi({\mathsf{que}(l,k)}{:}\,{\mathsf{Q}^{{\vec{p}\interleave\vec{q}}}})=\Phi({l}{:}\,{\mathsf{List}^{\vec{p}}})+\Phi({k}{:}\,{\mathsf{List}^{\vec{q}}})$. The _sharing relation_ $\curlyvee\\!({A^{\vec{p}}}\\!\mid\\!{A_{1}^{\vec{p_{1}}},A_{2}^{\vec{p_{2}}}})$ holds if $A=A_{1}=A_{2}$ and $\vec{p_{1}}+\vec{p_{2}}=\vec{p}$. The subtype relation is defined as follows: ${A}^{\vec{p}}\mathrel{<:}{B}^{\vec{q}}$, if $A=B$ and $\vec{p}\geqslant\vec{q}$. ###### Lemma 3.1. If $\curlyvee\\!({A^{\vec{p}}}\\!\mid\\!{A_{1}^{\vec{p_{1}}},A_{2}^{\vec{p_{2}}}})$ then $\Phi({v}{:}\,{A^{\vec{p}}})=\Phi({v}{:}\,{A_{1}^{\vec{p_{1}}}})+\Phi({v}{:}\,{A_{2}^{\vec{p_{2}}}})$ holds for any value of type $A$. If ${A}^{\vec{p}}\mathrel{<:}{B}^{\vec{q}}$ then $\Phi({v}{:}\,{{A}^{\vec{p}}})\geqslant\Phi({v}{:}\,{{B}^{\vec{q}}})$ again for any $v:A$. ###### Proof. The proof of the first claim is by induction on the structure of $v$. We note that by superposition together with uniqueness the additivity property propagates to the argument types. For example, if we have the annotations $\mathsf{s}:[{\mathsf{Nat}^{2}}]\xrightarrow{4}{\mathsf{Nat}^{3}}$ and $\mathsf{s}:[{\mathsf{Nat}^{4}}]\xrightarrow{6}{\mathsf{Nat}^{5}}$ and $\mathsf{s}:[{\mathsf{Nat}^{x}}]\xrightarrow{10}{\mathsf{Nat}^{y}}$ then we can conclude $x=6$, $y=8$, for this annotation must be present by superposition and there can only be one by uniqueness. The second claim follows from the first one and nonnegativity of potentials. ∎ ${{x_{1}}{:}\,{A_{1}^{\vec{u_{1}}}},\dots,{x_{n}}{:}\,{A_{n}^{\vec{u_{n}}}}}\sststile{}{p}{{f(x_{1},\dots,x_{n})}{:}\,{{C}^{\vec{v}}}}\lx@proof@logical@and f\in\mathcal{C}\cup\mathcal{D}[{A_{1}^{\vec{u_{1}}}\times\cdots\times A_{n}^{\vec{u_{n}}}}]\xrightarrow{p}{{C}^{\vec{v}}}\in\mathcal{F}(f)$ ${\Gamma}\sststile{}{p^{\prime}}{{t}{:}\,{C}}\lx@proof@logical@and{\Gamma}\sststile{}{p}{{t}{:}\,{C}}p^{\prime}\geqslant p$ --- ${\Gamma_{1},\dots,\Gamma_{n}}\sststile{}{p}{{f(t_{1},\dots,t_{n})}{:}\,{C}}\lx@proof@logical@and\begin{minipage}[b]{172.22168pt} all $x_{i}$ are fresh\\\ ${{x_{1}}{:}\,{A_{1}},\dots,{x_{n}}{:}\,{A_{n}}}\sststile{}{p_{0}}{{f(x_{1},\dots,x_{n})}{:}\,{C}}$ \end{minipage}\begin{minipage}[b]{137.77734pt} $p=\sum_{i=0}^{n}p_{i}$\\\ ${\Gamma_{1}}\sststile{}{p_{1}}{{t_{1}}{:}\,{A_{1}}}\ \cdots\ {\Gamma_{n}}\sststile{}{p_{n}}{{t_{n}}{:}\,{A_{n}}}$ \end{minipage}$ ${\Gamma,{x}{:}\,{A}}\sststile{}{p}{{t}{:}\,{C}}{\Gamma}\sststile{}{p}{{t}{:}\,{C}}$ ${\Gamma,{z}{:}\,{A}}\sststile{}{p}{{t[z,z]}{:}\,{C}}\lx@proof@logical@and{\Gamma,{x}{:}\,{A_{1}},{y}{:}\,{A_{2}}}\sststile{}{p}{{t[x,y]}{:}\,{C}}\curlyvee\\!({A}\\!\mid\\!{A_{1},A_{2}})\text{$x$, $y$ are fresh}$ ${\Gamma,{x}{:}\,{A}}\sststile{}{p}{{t}{:}\,{C}}\lx@proof@logical@and{\Gamma,{x}{:}\,{B}}\sststile{}{p}{{t}{:}\,{C}}A\mathrel{<:}B$ ${{x}{:}\,{A}}\sststile{}{0}{{x}{:}\,{A}}$ ${\Gamma}\sststile{}{p}{{t}{:}\,{C}}\lx@proof@logical@and{\Gamma}\sststile{}{p}{{t}{:}\,{D}}D\mathrel{<:}C$ Figure 2: Type System for Rewrite Systems The set of typing rules for TRSs are given in Figure 2. Observe that the type system employs the assumption that $\mathcal{R}$ is left-linear. In a nutshell, the method works as follows: Let $\Gamma$ be a typing context and let us consider the typing judgement ${\Gamma}\sststile{}{p}{{t}{:}\,{A}}$ derivable from the type rules. Then $p$ is an upper-bound to the amortised cost required for reducing $t$ to a value. The derivation height of $t\sigma$ (with respect to innermost rewriting) is bound by the difference in the potential before and after the evaluation plus $p$. Thus if the sum of the potential of the arguments of $t\sigma$ is in $\operatorname{\mathsf{O}}(n^{k})$, where $n$ is the size of the arguments, then the runtime complexity of $\mathcal{R}$ lies in $\operatorname{\mathsf{O}}(n^{k})$. Recall that any rewrite rule $l\to r\in\mathcal{R}$ can be written as $f(l_{1},\dots,l_{n})\to r$ with $l_{i}\in\operatorname{\mathcal{T}}(\mathcal{C},\mathcal{V})$. We introduce _well-typed_ TRSs. ###### Definition 3.4. Let $f(l_{1},\dots,l_{n})\to r$ be a rewrite rule in $\mathcal{R}$ and let $\operatorname{\mathcal{V}\mathsf{ar}}(f(\vec{l}))=\\{y_{1},\dots,y_{\ell}\\}$. Then $f\in\mathcal{D}$ is _well-typed_ wrt. $\mathcal{F}$, if we obtain ${{y_{1}}{:}\,{B_{1}},\dots,{y_{\ell}}{:}\,{B_{\ell}}}\sststile{}{p-1+\sum_{i=1}^{n}k_{i}}{{r}{:}\,{C}}\hbox to0.0pt{$\;$,\hss}$ (1) for all $[{A_{1}\times\cdots\times A_{n}}]\xrightarrow{p}{C}\in\mathcal{F}(f)$, for all types $B_{j}$ ($j\in\\{1,\dots,\ell\\}$), and all costs $k_{i}$, such that ${{y_{1}}{:}\,{B_{1}},\dots,{y_{\ell}}{:}\,{B_{\ell}}}\sststile{}{k_{i}}{{l_{i}}{:}\,{A_{i}}}$ is derivable. A TRS $\mathcal{R}$ over $\mathcal{F}$ is _well-typed_ if any defined $f$ is well-typed. Contrary to analogous definitions in the literature on amortised resource analysis the definition recurs to the type system in order to specify the available resources in the type judgement (1). This is necessary to adapt amortised analysis to rewrite systems. Let $\Gamma$ be a typing context and let $\sigma$ be a substitution. We call $\sigma$ _well-typed (with respect to $\Gamma$)_ if for all $x\in\operatorname{\mathsf{dom}}(\Gamma)$ $x\sigma$ is of type $\Gamma(x)$. We extend Definition 3.3 to substitutions $\sigma$ and typing contexts $\Gamma$. Suppose $\sigma$ is well-typed with respect to $\Gamma$. Then $\Phi({\sigma}{:}\,{\Gamma})\mathrel{:=}\sum_{x\in\operatorname{\mathsf{dom}}(\Gamma)}\Phi({x\sigma}{:}\,{\Gamma(x)})$. We state and prove our first soundness result. ###### Theorem 3.1. Let $\mathcal{R}$ and $\sigma$ be well-typed. Suppose ${\Gamma}\sststile{}{p}{{t}{:}\,{A}}$ and ${\sigma}\sststile{}{m}{{t}\Rightarrow{v}}$. Then $\Phi({\sigma}{:}\,{\Gamma})-\Phi({v}{:}\,{A})+p\geqslant m$. ###### Proof. Let $\Pi$ be the proof deriving ${\sigma}\sststile{}{m}{{t}\Rightarrow{v}}$ and let $\Xi$ be the proof of ${\Gamma}\sststile{}{p}{{t}{:}\,{A}}$. The proof of the theorem proceeds by main-induction on the length of $\Pi$ and by side- induction on the length of $\Xi$. 1. 1. Suppose $\Pi$ has the form ${\sigma}\sststile{}{m}{{x}\Rightarrow{v}}x\sigma=v\hbox to0.0pt{$\;$,\hss}$ such that $t=x$ and $v=x\sigma$. Wlog. $\Xi$ is of form ${{x}{:}\,{A}}\sststile{}{0}{{x}{:}\,{A}}$. Then $\Phi({\sigma}{:}\,{\Gamma})=\Phi({x\sigma}{:}\,{A})$ and the theorem follows. 2. 2. Suppose $\Pi$ has the form ${\sigma}\sststile{}{m}{{c(x_{1},\dots,x_{n})}\Rightarrow{c(v_{1},\dots,v_{n})}}\lx@proof@logical@and c\in\mathcal{C}x_{1}\sigma=v_{1}\cdots x_{n}\sigma=v_{n}\hbox to0.0pt{$\;$,\hss}$ such that $t=c(x_{1},\dots,x_{n})$ and $v=c(v_{1},\dots,v_{n})$. Further wlog. we suppose that $\Xi$ ends in the following judgement: ${{x_{1}}{:}\,{A_{1}^{\vec{u_{1}}}},\dots,{x_{n}}{:}\,{A_{n}^{\vec{u_{n}}}}}\sststile{}{p}{{c(x_{1},\dots,x_{n})}{:}\,{{C}^{\vec{w}}}}\hbox to0.0pt{$\;$.\hss}$ Then we have $[{A_{1}^{\vec{u_{1}}}\times\cdots\times A_{n}^{\vec{u_{n}}}}]\xrightarrow{p}{{C}^{\vec{w}}}\in\mathcal{F}(c)$ and thus: $\Phi({\sigma}{:}\,{\Gamma})+p=p+\sum_{i=1}^{n}\Phi({x_{i}\sigma}{:}\,{A_{i}^{\vec{u_{i}}}})=p+\sum_{i=1}^{n}\Phi({v_{i}}{:}\,{A_{i}^{\vec{u_{i}}}})=\Phi({c(v_{1},\dots,v_{n})}{:}\,{C^{\vec{w}}})\hbox to0.0pt{$\;$,\hss}$ from which the theorem follows. 3. 3. Suppose $\Pi$ ends in the following rule: ${\sigma}\sststile{}{m+1}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}\lx@proof@logical@and\exists\ f(l_{1},\dots,l_{n})\to r\in\mathcal{R}\exists\tau\ \forall i\colon x_{i}\sigma=l_{i}\tau{\sigma\mathrel{\uplus}\tau}\sststile{}{m}{{r}\Rightarrow{v}}\hbox to0.0pt{$\;$.\hss}$ Then $t=f(x_{1},\dots,x_{n})$ and $f(x_{1},\dots,x_{n})\sigma=f(l_{1},\dots,l_{n})\tau$. Suppose $\operatorname{\mathcal{V}\mathsf{ar}}(f(\vec{l}))=\\{y_{1},\dots,y_{\ell}\\}$ and let $\operatorname{\mathcal{V}\mathsf{ar}}(l_{i})=\\{y_{i1},\dots,y_{il_{i}}\\}$ for $i\in\\{1,\dots,n\\}$. As $\mathcal{R}$ is left-linear we have $\operatorname{\mathcal{V}\mathsf{ar}}(f(l_{1},\dots,l_{n}))=\biguplus_{i=1}^{n}\operatorname{\mathcal{V}\mathsf{ar}}(l_{i})$. We set $\Gamma={x_{1}}{:}\,{A_{1}},\dots,{x_{n}}{:}\,{A_{n}}$. By the assumption ${\Gamma}\sststile{}{p}{{t}{:}\,{A}}$ and well-typedness of $\mathcal{R}$ we obtain ${\overbrace{{y_{1}}{:}\,{B_{1}},\dots,{y_{\ell}}{:}\,{B_{\ell}}}^{{}=:\Delta}}\sststile{}{p-1+\sum_{i=1}^{n}k_{i}}{{r}{:}\,{C}}\hbox to0.0pt{$\;$,\hss}$ as in (1). By main induction hypothesis together with the above equation, we have $\Phi({\sigma\mathrel{\uplus}\tau}{:}\,{\Delta})-\Phi({v}{:}\,{C})+p-1+\sum_{i=1}^{n}k_{i}\geqslant m$. Furthermore, we have $\displaystyle\Phi({\sigma}{:}\,{\Gamma})$ $\displaystyle=\sum_{i=1}^{n}\Phi({x_{i}\sigma}{:}\,{A_{i}})=\sum_{i=1}^{n}\left(k_{i}+\Phi({y_{i1}\tau}{:}\,{B_{i1}})+\cdots+\Phi({y_{il_{i}}\tau}{:}\,{B_{il_{i}}})\right)$ $\displaystyle=\Phi({\sigma\mathrel{\uplus}\tau}{:}\,{\Delta})+\sum_{i=1}^{n}k_{i}\hbox to0.0pt{$\;$.\hss}$ Here the first equality follows by an inspection on the case for the constructors. In sum, we obtain $\Phi({\sigma}{:}\,{\Gamma})-\Phi({v}{:}\,{C})+p=\Phi({\sigma\mathrel{\uplus}\tau}{:}\,{\Delta})+\sum_{i=1}^{n}k_{i}-\Phi({v}{:}\,{C})+p\geqslant m+1\hbox to0.0pt{$\;$,\hss}$ from which the theorem follows. 4. 4. Suppose the last rule in $\Pi$ has the form ${\sigma}\sststile{}{m}{{f(t_{1},\dots,t_{n})}\Rightarrow{v}}\lx@proof@logical@and{\sigma\mathrel{\uplus}\rho}\sststile{}{m_{0}}{{f(x_{1},\ldots,x_{n})}\Rightarrow{v}}{\sigma}\sststile{}{m_{1}}{{t_{1}}\Rightarrow{v_{1}}}\cdots{\sigma}\sststile{}{m_{n}}{{t_{n}}\Rightarrow{v_{n}}}m=\sum_{i=0}^{n}m_{i}\hbox to0.0pt{$\;$.\hss}$ We can assume that $t$ is linear, compare the case employing the share operator. Hence the last rule in the type inference $\Xi$ is of the following form. ${\Gamma_{1},\dots,\Gamma_{n}}\sststile{}{p}{{f(t_{1},\dots,t_{n})}{:}\,{C}}\lx@proof@logical@and{\overbrace{{y_{1}}{:}\,{A_{1}},\dots,{y_{n}}{:}\,{A_{n}}}^{{}=:\Delta}}\sststile{}{p_{0}}{{f(\vec{y})}{:}\,{C}}{\Gamma_{1}}\sststile{}{p_{1}}{{t_{1}}{:}\,{A_{1}}}\cdots{\Gamma_{n}}\sststile{}{p_{n}}{{t_{n}}{:}\,{A_{n}}}p=\sum_{i=0}^{n}p_{i}\hbox to0.0pt{$\;$.\hss}$ By induction hypothesis: $\Phi({\sigma}{:}\,{\Gamma_{i}})-\Phi({v_{i}}{:}\,{A_{i}})+p_{i}\geqslant m_{i}$ for all $i=1,\dots,n$. Hence $\sum_{i=1}^{n}\Phi({\sigma}{:}\,{\Gamma_{i}})-\sum_{i=1}^{n}\Phi({v_{i}}{:}\,{A_{i}})+\sum_{i=1}^{n}p_{i}\geqslant\sum_{i=1}^{n}m_{i}\hbox to0.0pt{$\;$.\hss}$ (2) Again by induction hypothesis we obtain: $\Phi({\sigma\mathrel{\uplus}\rho}{:}\,{\Delta})-\Phi({v}{:}\,{C})+p_{0}\geqslant m_{0}\hbox to0.0pt{$\;$.\hss}$ (3) Now $\Phi({\sigma}{:}\,{\Gamma})=\sum_{i=1}^{n}\Phi({\sigma}{:}\,{\Gamma_{i}})$ and $\Phi({\sigma\mathrel{\uplus}\rho}{:}\,{\Delta})=\Phi({\rho}{:}\,{\Delta})=\sum_{i=1}^{n}\Phi({v_{i}}{:}\,{A_{i}})$. Due to (2) and (3), we obtain $\displaystyle\Phi({\sigma}{:}\,{\Gamma})+\sum_{i=0}^{n}p_{i}$ $\displaystyle=\sum_{i=1}^{n}\Phi({\sigma}{:}\,{\Gamma_{i}})+\sum_{i=1}^{n}p_{i}+p_{0}$ $\displaystyle\geqslant\sum_{i=1}^{n}\Phi({v_{i}}{:}\,{A_{i}})+\sum_{i=1}^{n}m_{i}+p_{0}\geqslant\Phi({v}{:}\,{C})+\sum_{i=0}^{n}m_{i}\hbox to0.0pt{$\;$,\hss}$ and thus $\Phi({\sigma}{:}\,{\Gamma}-\Phi({v}{:}\,{C})+p\geqslant m$. 5. 5. Suppose $\Xi$ is of form ${\Gamma}\sststile{}{p^{\prime}}{{t}{:}\,{C}}\lx@proof@logical@and{\Gamma}\sststile{}{p}{{t}{:}\,{C}}p^{\prime}\geqslant p\hbox to0.0pt{$\;$.\hss}$ By side-induction on ${\Gamma}\sststile{}{p}{{t}{:}\,{C}}$ together with ${\sigma}\sststile{}{m}{{t}\Rightarrow{v}}$ we conclude $\Phi({\sigma}{:}\,{\Gamma})-\Phi({v}{:}\,{A})+p\geqslant m$. Then the theorem follows from the assumption $p^{\prime}\geqslant p$. 6. 6. Suppose $\Xi$ is of form ${\Gamma,{x}{:}\,{A}}\sststile{}{p}{{t}{:}\,{C}}{\Gamma}\sststile{}{p}{{t}{:}\,{C}}\hbox to0.0pt{$\;$.\hss}$ We conclude by side-induction together with ${\sigma}\sststile{}{m}{{t}\Rightarrow{v}}$ we conclude $\Phi({\sigma}{:}\,{\Gamma})-\Phi({v}{:}\,{A})+p\geqslant m$. Clearly $\Phi({\sigma}{:}\,{\Gamma,{x}{:}\,{A}})\geqslant\Phi({\sigma}{:}\,{\Gamma})$ and the theorem follows. 7. 7. Suppose $\Xi$ is of form ${\Gamma,{z}{:}\,{A}}\sststile{}{p}{{t[z,z]}{:}\,{C}}\lx@proof@logical@and{\Gamma,{x}{:}\,{A_{1}},{y}{:}\,{A_{2}}}\sststile{}{p}{{t[x,y]}{:}\,{C}}\curlyvee\\!({A}\\!\mid\\!{A_{1},A_{2}})$ By assumption ${\sigma}\sststile{}{m}{{t[z,z]}\Rightarrow{v}}$; let $\rho\mathrel{:=}\sigma\mathrel{\uplus}\\{x\mapsto z\sigma,y\mapsto z\sigma\\}$. As ${\sigma}\sststile{}{m}{{t[z,z]}\Rightarrow{v}}$, we obtain ${\rho}\sststile{}{m}{{t[x,y]}\Rightarrow{v}}$ by definition. From the side- induction on ${\Gamma,{x}{:}\,{A_{1}},{y}{:}\,{A_{2}}}\sststile{}{p}{{t[x,y]}{:}\,{C}}$ and ${\rho}\sststile{}{m}{{t[x,y]}\Rightarrow{v}}$ we conclude that $\Phi({\rho}{:}\,{\Gamma,{x}{:}\,{A_{1}},{y}{:}\,{A_{2}}})-\Phi({v}{:}\,{C}+p\geqslant m\hbox to0.0pt{$\;$.\hss}$ The theorem follows as by definition of $\rho$ and Lemma 3.1, we obtain $\Phi({\sigma}{:}\,{\Gamma,{z}{:}\,{A}})=\Phi({\rho}{:}\,{\Gamma,{x}{:}\,{A_{1}},{y}{:}\,{A_{2}}})\hbox to0.0pt{$\;$.\hss}$ 8. 8. Suppose $\Xi$ is of form ${\Gamma,{x}{:}\,{A}}\sststile{}{p}{{t}{:}\,{C}}\lx@proof@logical@and{\Gamma,{x}{:}\,{B}}\sststile{}{p}{{t}{:}\,{C}}A\mathrel{<:}B$ By assumption ${\sigma}\sststile{}{m}{{t}\Rightarrow{v}}$ and by induction hypothesis $\Phi({\sigma}{:}\,{\Gamma,{x}{:}\,{B}})-\Phi({v}{:}\,{A})+p\geqslant m$. By definition of the subtype relation $\Phi({x\sigma}{:}\,{A})\geqslant\Phi({x\sigma}{:}\,{B})$. Hence the theorem follows. 9. 9. Suppose $\Xi$ is of form ${\Gamma}\sststile{}{p}{{t}{:}\,{C}}\lx@proof@logical@and{\Gamma}\sststile{}{p}{{t}{:}\,{D}}D\mathrel{<:}C$ The case follows similarly to the sub-case before by induction hypothesis. From this the theorem follows. The second assertion of the theorem follows from the first together with the assumption that every defined symbol in $\mathcal{F}$ is well-typed and Proposition 2.1. ∎ ###### Example 3.3 (continued from Example 1.1). Consider the TRS $\mathcal{R}_{\mathsf{que}}$ from Example 1.1. We detail the signature $\mathcal{F}$, starting with the constructor symbols. $\displaystyle\mathsf{0}\colon\\!$ $\displaystyle\mathsf{Nat}^{p}$ $\displaystyle\hskip 8.61108pt\mathsf{s}\colon\\!$ $\displaystyle[{\mathsf{Nat}^{p}}]\xrightarrow{p}{\mathsf{Nat}^{p}}$ $\displaystyle\hskip 8.61108pt\mathsf{err\\_head}\colon\\!$ $\displaystyle\mathsf{Nat}^{p}$ $\displaystyle\hskip 8.61108pt\mathsf{que}\colon\\!$ $\displaystyle[{\mathsf{List}^{p}\times\mathsf{List}^{q}}]\xrightarrow{0}{\mathsf{Q}^{{(p,q)}}}$ $\displaystyle\mathsf{nil}\colon\\!$ $\displaystyle\mathsf{List}^{q}$ $\displaystyle\hskip 8.61108pt\mathrel{\mathsf{\sharp}}\colon\\!$ $\displaystyle[{\mathsf{Nat}^{0}\times\mathsf{List}^{q}}]\xrightarrow{q}{\mathsf{List}^{q}}$ $\displaystyle\hskip 8.61108pt\mathsf{err\\_tail}\colon\\!$ $\displaystyle\mathsf{Q}^{{(0,1)}}\hbox to0.0pt{$\;$,\hss}$ where $p,q\in{\mathbb{N}}$. Furthermore we make use of the following types for defined symbols. $\displaystyle\mathsf{chk}\colon$ $\displaystyle[{\mathsf{Q}^{{(0,1)}}}]\xrightarrow{3}{\mathsf{Q}^{{(0,1)}}}$ $\displaystyle\hskip 10.76385pt\mathsf{tl}\colon$ $\displaystyle[{\mathsf{Q}^{{(0,1)}}}]\xrightarrow{4}{\mathsf{Q}^{{(0,1)}}}$ $\displaystyle\hskip 10.76385pt\mathsf{hd}\colon$ $\displaystyle[{\mathsf{Q}^{{(0,1)}}}]\xrightarrow{1}{\mathsf{Nat}^{0}}$ $\displaystyle\mathsf{rev^{\prime}}\colon$ $\displaystyle[{\mathsf{List}^{1}\times\mathsf{List}^{0}}]\xrightarrow{1}{\mathsf{List}^{0}}$ $\displaystyle\hskip 10.76385pt\mathsf{rev}\colon$ $\displaystyle[{\mathsf{List}^{1}\times\mathsf{List}^{0}}]\xrightarrow{2}{\mathsf{List}^{0}}$ $\displaystyle\mathsf{snoc}\colon$ $\displaystyle[{\mathsf{Q}^{{(0,1)}}\times\mathsf{Nat}^{0}}]\xrightarrow{5}{\mathsf{Q}^{{(0,1)}}}$ $\displaystyle\hskip 10.76385pt\mathsf{enq}\colon$ $\displaystyle[{\mathsf{Nat}^{6}}]\xrightarrow{1}{\mathsf{Q}^{{(0,1)}}}\hbox to0.0pt{$\;$,\hss}\hskip 10.76385pt$ Let $\mathcal{F}$ denote the induced signature. Based on the above definitions it is not difficult to verify that $\mathcal{R}_{\mathsf{que}}$ is well-typed wrt. $\mathcal{F}$. We show that $\mathsf{enq}$ is well-typed. Consider rule 6. First, we observe that $6$ resource units become available for the recursive call, as ${{n}{:}\,{\mathsf{Nat}^{6}}}\sststile{}{6}{{\mathsf{s}(n)}{:}\,{\mathsf{Nat}^{6}}}$ is derivable. Second, we have the following partial type derivation; missing parts are easy to fill in. ${{n}{:}\,{\mathsf{Nat}^{6}}}\sststile{}{6}{{\mathsf{snoc}(\mathsf{enq}(n),n)}{:}\,{\mathsf{Q}^{{(0,1)}}}}{{n_{1}}{:}\,{\mathsf{Nat}^{6}},{n_{2}}{:}\,{\mathsf{Nat}^{0}}}\sststile{}{6}{{\mathsf{snoc}(\mathsf{enq}(n_{1}),n_{2})}{:}\,{\mathsf{Q}^{{(0,1)}}}}\lx@proof@logical@and{{q}{:}\,{\mathsf{Q}^{{(0,1)}}},{m}{:}\,{\mathsf{Nat}^{0}}}\sststile{}{5}{{\mathsf{snoc}(q,m)}{:}\,{\mathsf{Q}^{{(0,1)}}}}\begin{minipage}[b]{150.69397pt} \mbox{} \hfill${{n_{2}}{:}\,{\mathsf{Nat}^{0}}}\sststile{}{0}{{n_{2}}{:}\,{\mathsf{Nat}^{0}}}$\\\ ${{n_{1}}{:}\,{\mathsf{Nat}^{6}}}\sststile{}{1}{{\mathsf{enq}(n_{1})}{:}\,{\mathsf{Q}^{{(0,1)}}}}$ \end{minipage}$ Considering rule 7, it is easy to see that ${{n}{:}\,{\mathsf{Nat}^{6}}}\sststile{}{0}{{\mathsf{que}(\mathsf{nil},\mathsf{nil})}{:}\,{\mathsf{Q}^{{(0,1)}}}}$ is derivable. Thus $\mathsf{enq}$ is well-typed and we conclude optimal linear runtime complexity of $\mathcal{R}_{\mathsf{que}}$. ### Polynomial bounds Note that if the type annotations are chosen such that for each type $A$ we have $\Phi({v}{:}\,{A})\in\operatorname{\mathsf{O}}(n^{k})$ for $n=\lvert v\rvert$ then $\operatorname{\mathsf{rc}}_{\mathcal{R}}(n)\in\operatorname{\mathsf{O}}(n^{k})$ as well. The following proposition gives a sufficient condition as to when this is the case and in particular subsumes the type system in HoffmannH10a . ###### Theorem 3.2. Suppose that for each constructor $c$ with $[{A_{1}^{\vec{u_{1}}}\times\cdots\times A_{n}^{\vec{u_{n}}}}]\xrightarrow{p}{C^{\vec{w}}}\in\mathcal{F}(c)$, there exists $\vec{r}_{i}\in\mathcal{A}$ such that $\vec{u_{i}}\leqslant\vec{w}+\vec{r}_{i}$ where $\max{\vec{r}}_{i}\leqslant\max\vec{w}=:r$ and $p\leqslant r$ with $\lvert\vec{r}_{i}\rvert<\lvert\vec{w}\rvert=:k$. Then $\Phi({v}{:}\,{C^{\vec{w}}})\leqslant r\lvert v\rvert^{k}$. ###### Proof. The proof is by induction on the size of $v$. Note that, if $k=0$ then $\Phi({v}{:}\,{C^{\vec{w}}})=0$. This follows by superposition and uniqueness. Otherwise, we have $\displaystyle\Phi({c(v_{1},\dots,v_{n})}{:}\,{C^{\vec{w}}})$ $\displaystyle\leqslant r+\Phi({v_{1}}{:}\,{A_{1}^{\vec{w}+\vec{r}_{1}}})+\dots+\Phi({v_{n}}{:}\,{A_{n}^{\vec{w}+\vec{r}_{n}}})$ $\displaystyle\leqslant r(1+\lvert v_{1}\rvert^{k}+\lvert v_{1}\rvert^{k-1}+\dots+\lvert v_{n}\rvert^{k}+\lvert v_{n}\rvert^{k-1})$ $\displaystyle\leqslant r(1+\lvert v_{1}\rvert+\dots+\lvert v_{n}\rvert)^{k}=r\lvert v\rvert^{k}\hbox to0.0pt{$\;$.\hss}$ Here we employ Lemma 3.1 to conclude for all $i=1,\dots,n$: $\Phi({v_{i}}{:}\,{A_{i}^{\vec{w}+\vec{r}_{i}}})=\Phi({v_{i}}{:}\,{A_{i}^{\vec{w}}})+\Phi({v_{i}}{:}\,{A_{i}^{\vec{r}_{i}}})\hbox to0.0pt{$\;$.\hss}$ Based on this observation we apply induction hypothesis to obtain the second line. Furthermore in the last line we employ the multinomial theorem. ∎ We note that our running example satisfies the premise to the proposition. In concrete cases more precise bounds than those given by Theorem 3.2 can be computed as has been done in Example 3.2. The next example clarifies that potentials are not restricted to polynomials. ###### Example 3.4. Consider that we annotate the constructors for natural numbers as ${\mathsf{0}}{:}\,{\mathsf{Nat}^{\vec{p}}}$ and ${\mathsf{s}}{:}\,{[{\mathsf{Nat}^{2\vec{p}}}]\xrightarrow{\Diamond\vec{p}}{\mathsf{Nat}^{\vec{p}}}}$. We then have, for example, $\Phi({t}{:}\,{\mathsf{Nat}^{1}})=2^{t+1}-1$. As mentioned in the introduction, foundational issues are our main concern. However, the potential-based method detailed above seems susceptible to automation. One conceives the resource annotations as variables and encodes the constraints of the typing rules in Figure 2 over these resource variables. ## 4 Small-Step Semantics ${}\sststile{}{0}{\langle{x},{\sigma}\rangle\to\langle{v},{\sigma}\rangle}x\sigma=v$ ${}\sststile{}{0}{\langle{c(x_{1},\dots,x_{n})},{\sigma}\rangle\to\langle{c(v_{1},\dots,v_{n})},{\sigma}\rangle}\lx@proof@logical@and c\in\mathcal{C}x_{1}\sigma=v_{1}\cdots x_{n}\sigma=v_{n}$ --- ${}\sststile{}{0}{\langle{f(v_{1},\dots,v_{n})},{\sigma}\rangle\to\langle{f(x_{1},\dots,x_{n})},{\sigma\mathrel{\uplus}\rho}\rangle}\lx@proof@logical@and\forall i\colon\text{$v_{i}$ is a value}\rho=\\{x_{1}\mapsto v_{1},\dots,x_{n}\mapsto v_{n}\\}\text{$f$ is defined and all $x_{i}$ are fresh}$ ${}\sststile{}{1}{\langle{f(x_{1},\dots,x_{n})},{\sigma}\rangle\to\langle{r},{\sigma\mathrel{\uplus}\tau}\rangle}\lx@proof@logical@and f(l_{1},\dots,l_{n})\to r\in\mathcal{R}\forall i\colon x_{i}\sigma=l_{i}\tau$ ${}\sststile{}{1}{\langle{f(\dots,t_{i},\dots)},{\sigma}\rangle\to\langle{f(\dots,u,\dots)},{\sigma^{\prime}}\rangle}{}\sststile{}{1}{\langle{t_{i}},{\sigma}\rangle\to\langle{u},{\sigma^{\prime}}\rangle}$ Note that the substitutions $\sigma$, $\sigma^{\prime}$, $\tau$, and $\rho$ are normalised. Figure 3: Operational Small-Step Semantics The big-step semantics, the type system, and Theorem 3.1 provide an amortised resource analysis for typed TRSs that yields polynomial bounds. However, Theorem 3.1 is not directly applicable, if we want to link this analysis to the interpretation method. We recast the method and present a small-step semantics, which will be used in our second soundness results (Theorem 4.1 below), cf. Figure 3. As the big-step semantics, the small-step semantics is decorated with counters for the derivation height of the evaluated terms. Suppose ${}\sststile{}{}{\langle{s},{\sigma}\rangle\to\langle{t},{\sigma^{\prime}}\rangle}$ holds for terms $s,t$ and substitutions $\sigma,\sigma^{\prime}$. An inspection of the rules shows that $\sigma^{\prime}$ is an extension of $\sigma$. Moreover we have the following fact. ###### Lemma 4.1. Let $s,t$ be terms, let $\sigma$ be a normalised substitution such that $\operatorname{\mathcal{V}\mathsf{ar}}(s)\subseteq\operatorname{\mathsf{dom}}(\sigma)$ and suppose ${}\sststile{}{}{\langle{s},{\sigma}\rangle\to\langle{t},{\sigma^{\prime}}\rangle}$. Then $\sigma^{\prime}$ extends $\sigma$ and $s\sigma=s\sigma^{\prime}$. ###### Proof. The first assertion follows by induction on the relation ${}\sststile{}{}{\langle{s},{\sigma}\rangle\to\langle{t},{\sigma^{\prime}}\rangle}$. Now suppose $\sigma={\sigma^{\prime}}\\!\restriction\\!{\operatorname{\mathsf{dom}}(\sigma)}$. Then $s\sigma=s({\sigma^{\prime}}\\!\restriction\\!{\operatorname{\mathsf{dom}}(\sigma)})=s\sigma^{\prime}$. ∎ The transitive closure of the judgement ${}\sststile{}{m}{\langle{s},{\sigma}\rangle\to\langle{t},{\tau}\rangle}$ is defined as follows: 1. 1. ${}\sststile{}{m}{\langle{s},{\sigma}\rangle\twoheadrightarrow\langle{t},{\tau}\rangle}$ if ${}\sststile{}{m}{\langle{s},{\sigma}\rangle\to\langle{t},{\tau}\rangle}$ 2. 2. ${}\sststile{}{m_{1}+m_{2}}{\langle{s},{\sigma}\rangle\twoheadrightarrow\langle{u},{\rho}\rangle}$ if ${}\sststile{}{m_{1}}{\langle{s},{\sigma}\rangle\to\langle{t},{\tau}\rangle}$ and ${}\sststile{}{m_{2}}{\langle{t},{\tau}\rangle\twoheadrightarrow\langle{u},{\rho}\rangle}$. The next lemma proves the equivalence of big-step and small-step semantics. ###### Lemma 4.2. Let $\sigma$ be a normalised substitution, let $t$ be a term, $\operatorname{\mathcal{V}\mathsf{ar}}(t)\subseteq\operatorname{\mathsf{dom}}(\sigma)$, and let $v$ be a value. Then ${\sigma}\sststile{}{m}{{t}\Rightarrow{v}}$ if and only if ${}\sststile{}{m}{\langle{t},{\sigma}\rangle\twoheadrightarrow\langle{v},{\sigma^{\prime}}\rangle}$, where $\sigma^{\prime}$ is an extension of $\sigma$. ###### Proof. First we prove the direction from left to right. 1. 1. Suppose $\Pi$ has the form: ${\sigma}\sststile{}{0}{{x}\Rightarrow{v}}x\sigma=v\hbox to0.0pt{$\;$,\hss}$ such that $t=x$ and $v=x\sigma$. Hence we obtain ${}\sststile{}{0}{\langle{x},{\sigma}\rangle\twoheadrightarrow\langle{v},{\sigma}\rangle}$. 2. 2. Suppose $\Pi$ has the form: ${\sigma}\sststile{}{0}{{c(x_{1},\dots,x_{n})}\Rightarrow{c(v_{1},\dots,v_{n})}}\lx@proof@logical@and c\in\mathcal{C}x_{1}\sigma=v_{1}\cdots x_{n}\sigma=v_{n}\hbox to0.0pt{$\;$,\hss}$ such that $t=c(x_{1},\dots,x_{n})$ and $v=c(v_{1},\dots,v_{n})$. Again, we directly obtain ${}\sststile{}{0}{\langle{t},{\sigma}\rangle\twoheadrightarrow\langle{v},{\sigma}\rangle}$. 3. 3. Suppose the last rule in $\Pi$ if of form: ${\sigma}\sststile{}{m+1}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}\lx@proof@logical@and f(l_{1},\dots,l_{n})\to r\in\mathcal{R}\forall i\colon x_{i}\sigma=l_{i}\tau{\sigma\mathrel{\uplus}\tau}\sststile{}{m}{{r}\Rightarrow{v}}\hbox to0.0pt{$\;$,\hss}$ where $t=f(x_{1},\dots,x_{n})$. By hypothesis there exists an extension $\sigma^{\prime}$ of $\sigma\mathrel{\uplus}\tau$ such that ${}\sststile{}{m}{\langle{r},{\sigma\mathrel{\uplus}\tau}\rangle\twoheadrightarrow\langle{v},{\sigma^{\prime}}\rangle}$. Furthermore, we have ${}\sststile{}{1}{\langle{t},{\sigma}\rangle\to\langle{r},{\sigma\mathrel{\uplus}\tau}\rangle}$. Thus ${}\sststile{}{m+1}{\langle{t},{\sigma}\rangle\twoheadrightarrow\langle{v},{\sigma^{\prime}}\rangle}$. By definition $\operatorname{\mathsf{dom}}(\sigma)\cap\operatorname{\mathsf{dom}}(\tau)=\varnothing$. Hence $\sigma^{\prime}$ is an extension of $\sigma$. 4. 4. Finally, suppose the last rule in $\Pi$ has the form ${\sigma}\sststile{}{m}{{f(t_{1},\dots,t_{n})}\Rightarrow{v}}\lx@proof@logical@and{\sigma\mathrel{\uplus}\rho}\sststile{}{m_{0}}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}{\sigma}\sststile{}{m_{1}}{{t_{1}}\Rightarrow{v_{1}}}\cdots{\sigma}\sststile{}{m_{n}}{{t_{n}}\Rightarrow{v_{n}}}m=\sum_{i=0}^{n}m_{i}\hbox to0.0pt{$\;$,\hss}$ where $t=f(t_{1},\dots,t_{n})$. By induction hypothesis (and repeated use of Lemma 2.1), we have for all $i=1,\dots,n$: ${}\sststile{}{m_{i}}{\langle{t_{1}},{\sigma_{i-1}}\rangle\twoheadrightarrow\langle{v_{1}},{\sigma_{i}}\rangle}$, where we set $\sigma_{0}=\sigma$ and note that all $\sigma_{i}$ are extensions of $\sigma$. As ${}\sststile{}{0}{\langle{f(v_{1},\dots,v_{n})},{\sigma_{n}}\rangle\to\langle{f(x_{1},\dots,x_{n})},{\sigma_{n}\mathrel{\uplus}\rho}\rangle}$ we obtain: ${}\sststile{}{\sum_{i=1}^{n}m_{i}}{\langle{f(t_{1},\dots,t_{n})},{\sigma}\rangle\twoheadrightarrow\langle{f(x_{1},\dots,x_{n})},{\sigma_{n}\mathrel{\uplus}\rho}\rangle}\hbox to0.0pt{$\;$.\hss}$ (4) Furthermore, by Lemma 2.1 and the induction hypothesis there exists a substitution $\sigma^{\prime}$ such that ${}\sststile{}{m_{0}}{\langle{f(x_{1},\dots,x_{n})},{\sigma_{n}\mathrel{\uplus}\rho}\rangle\twoheadrightarrow\langle{v},{\sigma^{\prime}}\rangle}\hbox to0.0pt{$\;$,\hss}$ (5) where $\sigma^{\prime}$ extends $\sigma_{n}\mathrel{\uplus}\rho$ (and thus also $\sigma$ as $\operatorname{\mathsf{dom}}(\sigma_{n})\cap\operatorname{\mathsf{dom}}(\rho)=\varnothing$). From (4) and (5) we obtain ${}\sststile{}{m}{\langle{t},{\sigma}\rangle\twoheadrightarrow\langle{v},{\sigma^{\prime}}\rangle}$. This establishes the direction from left to right. Now we consider the direction form right to left. The proof of the first reduction ${}\sststile{}{m}{\langle{t},{\sigma}\rangle\to\langle{u},{\sigma^{\prime\prime}}\rangle}$ in $D$ is denoted as $\Xi$. 1. 1. Suppose $\Xi$ has either of the following forms ${}\sststile{}{0}{\langle{x},{\sigma}\rangle\to\langle{v},{\sigma}\rangle}x\sigma=v\qquad{}\sststile{}{0}{\langle{c(x_{1},\dots,x_{n})},{\sigma}\rangle\to\langle{c(v_{1},\dots,v_{n})},{\sigma}\rangle}\lx@proof@logical@and x_{1}\sigma=v_{1}\cdots x_{n}\sigma=v_{n}$ Then the lemma follows trivially. 2. 2. Suppose $\Xi$ has the form ${}\sststile{}{0}{\langle{f(v_{1},\dots,v_{n})},{\sigma}\rangle\to\langle{f(x_{1},\dots,x_{n})},{\sigma\mathrel{\uplus}\rho}\rangle}\lx@proof@logical@and\forall i\colon\text{$v_{i}$ is a value}\rho=\\{x_{1}\mapsto v_{1},\dots,x_{n}\mapsto v_{n}\\}\text{$f$ is defined and all $x_{i}$ are fresh}\hbox to0.0pt{$\;$.\hss}$ We apply the induction hypothesis to conclude ${\sigma\mathrel{\uplus}\rho}\sststile{}{m}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}$. Moreover, we observe that ${\sigma}\sststile{}{0}{{v_{i}}\Rightarrow{v_{i}}}$ holds for all $i=1,\dots,n$. (This follows by a straightforward inductive argument.) From this we derive ${\sigma}\sststile{}{0}{{f(v_{1},\dots,v_{n})}\Rightarrow{v}}$ as follows: ${\sigma}\sststile{}{0}{{f(v_{1},\dots,v_{n})}\Rightarrow{v}}\lx@proof@logical@and{\sigma\mathrel{\uplus}\rho}\sststile{}{m}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}{\sigma}\sststile{}{0}{{v_{1}}\Rightarrow{v_{1}}}\cdots{\sigma}\sststile{}{0}{{v_{n}}\Rightarrow{v_{n}}}\hbox to0.0pt{$\;$.\hss}$ 3. 3. Suppose $\Xi$ has the form ${}\sststile{}{1}{\langle{f(x_{1},\dots,x_{n})},{\sigma}\rangle\to\langle{r},{\sigma\mathrel{\uplus}\tau}\rangle}\lx@proof@logical@and f(l_{1},\dots,l_{n})\to r\in\mathcal{R}\forall i\colon x_{i}\sigma=l_{i}\tau\hbox to0.0pt{$\;$,\hss}$ such that $\sigma^{\prime}$ is an extension of $\sigma\mathrel{\uplus}\tau$. By induction hypothesis we conclude ${\sigma\mathrel{\uplus}\tau}\sststile{}{m^{\prime}}{{r}\Rightarrow{v}}$. In conjunction with an application of the rule ${\sigma}\sststile{}{m+1}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}\lx@proof@logical@and f(l_{1},\dots,l_{n})\to r\in\mathcal{R}\forall i\colon x_{i}\sigma=l_{i}\tau{\sigma\mathrel{\uplus}\tau}\sststile{}{m^{\prime}}{{r}\Rightarrow{v}}\hbox to0.0pt{$\;$,\hss}$ we derive ${\sigma}\sststile{}{m^{\prime}+1}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}$ as required. 4. 4. Suppose $\Xi$ has the form ${}\sststile{}{1}{\langle{f(\dots,t_{i},\dots)},{\sigma}\rangle\to\langle{f(\dots,u,\dots)},{\sigma^{\prime\prime}}\rangle}{}\sststile{}{1}{\langle{t_{i}},{\sigma}\rangle\to\langle{u},{\sigma^{\prime\prime}}\rangle}\hbox to0.0pt{$\;$,\hss}$ such that $\sigma^{\prime}$ is an extension of $\sigma^{\prime\prime}$. Then by induction hypothesis we obtain: ${\sigma^{\prime\prime}}\sststile{}{m^{\prime}}{{f(\dots,u,\dots)}\Rightarrow{v}}$. Furthermore by induction hypothesis we have ${\sigma}\sststile{}{1}{{t_{i}}\Rightarrow{v_{1}}}$ 5. 5. Suppose the initial sequence of $D$ is based on the following reductions, where $m=\sum_{i=1}^{n}m_{i}+m^{\prime}$. $\displaystyle{}\sststile{}{m_{1}}{\langle{f(t_{1},\dots,t_{n})},{\sigma}\rangle\twoheadrightarrow\langle{f(v_{1},\dots,t_{n})},{\sigma_{1}}\rangle}$ $\displaystyle\qquad\vdots$ $\displaystyle{}\sststile{}{m_{n}}{\langle{f(v_{1},\dots,t_{n})},{\sigma}\rangle\twoheadrightarrow\langle{f(v_{1},\dots,v_{n})},{\sigma_{n}}\rangle}$ $\displaystyle{}\sststile{}{0}{\langle{f(v_{1},t_{2},\dots,t_{n})},{\sigma_{n}}\rangle\to\langle{f(x_{1},\dots,x_{n})},{\sigma_{n}\mathrel{\uplus}\rho}\rangle}\hbox to0.0pt{$\;$.\hss}$ We apply induction hypothesis on ${}\sststile{}{m^{\prime}}{\langle{f(x_{1},\dots,x_{n})},{\sigma^{\prime}\mathrel{\uplus}\rho}\rangle\to\langle{v},{\sigma^{\prime}}\rangle}$ and conclude: ${\sigma^{\prime}\mathrel{\uplus}\rho}\sststile{}{m^{\prime}}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}$. Again by induction hypothesis and inspection of the corresponding proofs, we obtain ${\sigma_{i-1}}\sststile{}{m_{i}}{{t_{i}}\Rightarrow{v_{i}}}$ for all $i=1,\dots,n$. (We set $\sigma_{0}\mathrel{:=}\sigma$.) Due to Lemma 4.1 we have $t_{i}\sigma_{i}=t_{i}\sigma$. Thus, for all $i$, ${\sigma}\sststile{}{m_{i}}{{t_{i}}\Rightarrow{v_{i}}}$. Note that $\operatorname{\mathsf{dom}}(\sigma_{n})\cap\operatorname{\mathsf{dom}}(\rho)=\varnothing$. Hence, from ${\sigma_{n}\mathrel{\uplus}\rho}\sststile{}{m^{\prime}}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}$ we obtain ${\sigma\mathrel{\uplus}\rho}\sststile{}{m^{\prime}}{{f(x_{1},\dots,x_{n})}\Rightarrow{v}}$. Thus ${\sigma}\sststile{}{m}{{t}\Rightarrow{v}}$ follows. ∎ We extend the notion of potential (cf. Definition 3.3) to ground terms. ###### Definition 4.1. Let $t=f(t_{1},\dots,t_{n})\in\operatorname{\mathcal{T}}(\mathcal{D}\cup\mathcal{C})$ and let $[{A_{1}\times\cdots\times A_{n}}]\xrightarrow{p}{C}{q}\in\mathcal{F}(f)$. Then the _potential_ of $t$ is defined as follows: $\Phi({t}{:}\,{C})\mathrel{:=}(p-q)+\Phi({t_{1}}{:}\,{A_{1}})+\cdots+\Phi({t_{n}}{:}\,{A_{n}})\hbox to0.0pt{$\;$.\hss}$ Note that by assumption the declaration in $\mathcal{F}(f)$ is unique. ###### Example 4.1 (continued from Example 3.3). Recall the types of $\mathsf{que}$ and $\mathsf{chk}$. Let $q=\mathsf{que}(f,r)$ be a queue. We obtain $\Phi({\mathsf{chk}(q)}{:}\,{\mathsf{Q}^{{(0,1)}}})=3+\Phi({q}{:}\,{\mathsf{Q}^{{(0,1)}}})=3+\Phi({f}{:}\,{\mathsf{List}^{0}})+\Phi({r}{:}\,{\mathsf{List}^{1}})=3+\lvert r\rvert$. ###### Lemma 4.3. Let $\mathcal{R}$ and $\sigma$ be well-typed. Suppose ${\Gamma}\sststile{}{p}{{t}{:}\,{A}}$. Then we have $\Phi({\sigma}{:}\,{\Gamma})+p\geqslant\Phi({t\sigma}{:}\,{A})$. ###### Proof. Let $\Xi$ denote the proof of ${\Gamma}\sststile{}{p}{{t}{:}\,{A}}$. 1. 1. Let $t=x$ and thus wlog. $\Xi$ is of form ${{x}{:}\,{A}}\sststile{}{0}{{x}{:}\,{A}}\hbox to0.0pt{$\;$.\hss}$ Then $\Phi({\sigma}{:}\,{\Gamma})=\Phi({x\sigma}{:}\,{A})=\Phi({t\sigma}{:}\,{A})$, from which the lemma follows. 2. 2. Let $t=f(x_{1},\dots,x_{n})$ where $f\in\mathcal{C}\cup\mathcal{D}$. Thus wlog. $\Xi$ is of form ${{x_{1}}{:}\,{A_{1}^{\vec{u_{1}}}},\dots,{x_{n}}{:}\,{A_{n}^{\vec{u_{n}}}}}\sststile{}{p}{{f(x_{1},\dots,x_{n})}{:}\,{{C}^{\vec{v}}}}\lx@proof@logical@and f\in\mathcal{C}\cup\mathcal{D}[{A_{1}^{\vec{u_{1}}}\times\cdots\times A_{n}^{\vec{u_{n}}}}]\xrightarrow{p}{{C}^{\vec{v}}}\in\mathcal{F}(f)\hbox to0.0pt{$\;$.\hss}$ Hence we obtain $\Phi({\sigma}{:}\,{\Gamma})+p=\sum_{i=1}^{n}\Phi({x_{i}\sigma}{:}\,{A_{i}^{\vec{u_{i}}}})+p=\Phi({t\sigma}{:}\,{C^{\vec{v}}})\hbox to0.0pt{$\;$,\hss}$ and the lemma follows. 3. 3. Suppose $t=f(t_{1},\dots,t_{n})$, such that $\vec{t}\not\in\mathcal{V}$ and $f\in\mathcal{C}\cup\mathcal{D}$. Thus $\Xi$ is of form ${\Gamma_{1},\dots,\Gamma_{n}}\sststile{}{p}{{f(t_{1},\dots,t_{n})}{:}\,{A}}\lx@proof@logical@and{\overbrace{{x_{1}}{:}\,{A_{1}},\dots,{x_{n}}{:}\,{A_{n}}}^{{}=:\Delta}}\sststile{}{p_{0}}{{f(x_{1},\dots,x_{n})}{:}\,{A}}{\Gamma_{1}}\sststile{}{p_{1}}{{t_{1}}{:}\,{A_{1}}}\cdots{\Gamma_{n}}\sststile{}{p_{n}}{{t_{n}}{:}\,{A_{n}}}\hbox to0.0pt{$\;$,\hss}$ where $p=\sum_{i=0}^{n}p_{i}$. Then by induction hypothesis we have $\Phi({\sigma}{:}\,{\Gamma_{i}})+p_{i}\geqslant\Phi({t_{i}\sigma}{:}\,{A_{i}})$ for all $i=1,\dots,n$. Hence $\sum_{i=1}^{n}\Phi({\sigma}{:}\,{\Gamma_{i}})+\sum_{i=1}^{n}p_{i}\geqslant\sum_{i=1}^{n}\Phi({t_{i}\sigma}{:}\,{A_{i}})$. Let $\rho\mathrel{:=}\\{x_{1}\mapsto t_{1}\sigma,\dots,x_{n}\mapsto t_{n}\sigma\\}$. Again by induction hypothesis we have $\Phi({\rho}{:}\,{\Delta})+p_{0}\geqslant\Phi({f(x_{1},\dots,x_{n})\rho}{:}\,{A})$. Note that $f(x_{1},\dots,x_{n})\rho=t\sigma$ and $x_{i}\rho=t_{i}\sigma$ by construction. We obtain $\displaystyle\Phi({\sigma}{:}\,{\Gamma})+\sum_{i=0}^{n}p_{i}$ $\displaystyle=\sum_{i=1}^{n}\Phi({\sigma}{:}\,{\Gamma_{i}})+p_{0}\geqslant\sum_{i=1}^{n}\Phi({t_{i}\sigma}{:}\,{A_{i}})+p_{0}$ $\displaystyle=\sum_{i=1}^{n}\Phi({x_{i}\rho}{:}\,{A_{i}})+p_{0}=\Phi({\rho}{:}\,{\Delta})+p_{0}$ $\displaystyle\geqslant\Phi({t\sigma}{:}\,{A})\hbox to0.0pt{$\;$.\hss}$ 4. 4. Suppose $\Xi$ is of form: ${\Gamma}\sststile{}{p^{\prime}}{{t}{:}\,{C}}\lx@proof@logical@and{\Gamma}\sststile{}{p}{{t}{:}\,{C}}p^{\prime}\geqslant p$ By induction hypothesis, we have $\Phi({\sigma}{:}\,{\Gamma})+p\geqslant\Phi({t\sigma}{:}\,{A})$. Then the lemma follows from the assumption $p^{\prime}\geqslant p$. 5. 5. Suppose $\Xi$ ends with one of the following structural rules ${\Gamma,{x}{:}\,{A}}\sststile{}{p}{{t}{:}\,{C}}{\Gamma}\sststile{}{p}{{t}{:}\,{C}}\hskip 43.05542pt{\Gamma,{z}{:}\,{A}}\sststile{}{p}{{t[z,z]}{:}\,{C}}\lx@proof@logical@and{\Gamma,{x}{:}\,{A_{1}},{y}{:}\,{A_{2}}}\sststile{}{p}{{t[x,y]}{:}\,{C}}\curlyvee\\!({A}\\!\mid\\!{A_{1},A_{2}})$ We only consider the second rule, as the first alternatives follows trivially. Let $\rho\mathrel{:=}\sigma\mathrel{\uplus}\\{x\mapsto z\sigma,y\mapsto z\sigma\\}$; by induction hypothesis, we have $\Phi({\rho}{:}\,{\Gamma,{x}{:}\,{A_{1}},{y}{:}\,{A_{2}}})+p\geqslant\Phi({t[x,y]\rho}{:}\,{A})$. By definition of $\rho$ and Lemma 3.1, we obtain $\Phi({\sigma}{:}\,{\Gamma,{z}{:}\,{A}})=\Phi({\rho}{:}\,{\Gamma,{x}{:}\,{A_{1}},{y}{:}\,{A_{2}}})\hbox to0.0pt{$\;$.\hss}$ Hence $\Phi({\sigma}{:}\,{\Gamma,{z}{:}\,{A}})+p\geqslant\Phi({t[z,z]\sigma}{:}\,{A})$ follows from $t[x,y]\rho=t[z,z]\sigma$. 6. 6. Suppose $\Xi$ ends either in a sub- or in a supertyping rule: ${\Gamma,{x}{:}\,{A}}\sststile{}{p}{{t}{:}\,{C}}\lx@proof@logical@and{\Gamma,{x}{:}\,{B}}\sststile{}{p}{{t}{:}\,{C}}A\mathrel{<:}B\hskip 43.05542pt{\Gamma}\sststile{}{p}{{t}{:}\,{C}}\lx@proof@logical@and{\Gamma}\sststile{}{p}{{t}{:}\,{D}}D\mathrel{<:}C$ Consider the second rule. We have to show that $\Phi({\sigma}{:}\,{\Gamma})+p\geqslant\Phi({t\sigma}{:}\,{C})$. This follows from induction hypothesis, which yields $\Phi({\sigma}{:}\,{\Gamma})+p\geqslant\Phi({t\sigma}{:}\,{D})$ as $\Phi({t\sigma}{:}\,{D})\geqslant\Phi({t\sigma}{:}\,{C})$ by definition of the subtyping relation. The argument for the first rule is similar. This concludes the inductive argument. ∎ We obtain our second soundness result. ###### Theorem 4.1. Let $\mathcal{R}$ and $\sigma$ be well-typed. Suppose ${\Gamma}\sststile{}{p}{{t}{:}\,{A}}$ and ${}\sststile{}{m}{\langle{t},{\sigma}\rangle\to\langle{u},{\sigma^{\prime}}\rangle}$. Then $\Phi({\sigma}{:}\,{\Gamma})-\Phi({u\sigma^{\prime}}{:}\,{A})+p\geqslant m$. Thus if for all ground basic terms $t$ and types $A$: $\Phi({t}{:}\,{A})\in\operatorname{\mathsf{O}}(n^{k})$, where $n=\lvert{t}\rvert$, then $\operatorname{\mathsf{rc}}_{\mathcal{R}}(n)\in\operatorname{\mathsf{O}}(n^{k})$. ###### Proof. Let $\Pi$ be the proof of the judgement ${}\sststile{}{m}{\langle{t},{\sigma}\rangle\to\langle{u},{\sigma^{\prime}}\rangle}$ and let $\Xi$ denote the proof of ${\Gamma}\sststile{}{p}{{t}{:}\,{A}}$. The proof proceeds by main-induction on the length of $\Pi$ and by side-induction on the length of $\Xi$. We focus on some interesting cases. 1. 1. Suppose $\Pi$ has the form ${}\sststile{}{0}{\langle{x},{\sigma}\rangle\to\langle{u},{\sigma}\rangle}x\sigma=u\hbox to0.0pt{$\;$,\hss}$ such that $t=x$ and $u=x\sigma$. As $\sigma$ is normalised $u$ is a value. Wlog. we can assume that $\Xi$ is of form ${{x}{:}\,{A}}\sststile{}{0}{{x}{:}\,{A}}$. It suffices to show $\Phi({\sigma}{:}\,{\Gamma})\geqslant\Phi({u\sigma}{:}\,{A})$, which follows from Lemma 4.3 as $x\sigma=u=u\sigma$. 2. 2. Suppose $\Pi$ has the form ${}\sststile{}{0}{\langle{c(x_{1},\dots,x_{n})},{\sigma}\rangle\to\langle{c(u_{1},\dots,u_{n})},{\sigma}\rangle}\lx@proof@logical@and x_{1}\sigma=u_{1}\cdots x_{n}\sigma=u_{n}\hbox to0.0pt{$\;$,\hss}$ such that $t=c(x_{1},\dots,x_{n})$ and $u=c(x_{1}\sigma,\dots,x_{n}\sigma)$, which again is a value. Further let $\Xi$ end in the judgement: ${{x_{1}}{:}\,{A_{1}^{\vec{u_{1}}}},\dots,{x_{n}}{:}\,{A_{n}^{\vec{u_{n}}}}}\sststile{}{p}{{c(x_{1},\dots,x_{n})}{:}\,{{C}^{\vec{v}}}}\hbox to0.0pt{$\;$.\hss}$ Let $\Gamma={x_{1}}{:}\,{A_{1}^{\vec{u_{1}}}},\dots,{x_{n}}{:}\,{A_{n}^{\vec{u_{n}}}}$; by Lemma 4.3 we have $\Phi({\sigma}{:}\,{\Gamma})+p\geqslant\Phi({t\sigma}{:}\,{A})=\Phi({u\sigma}{:}\,{A})$ as $t\sigma=u=u\sigma$. 3. 3. Suppose $\Pi$ has the form ${}\sststile{}{0}{\langle{f(v_{1},\dots,v_{n})},{\sigma}\rangle\to\langle{f(x_{1},\dots,x_{n})},{\sigma\mathrel{\uplus}\rho}\rangle}\lx@proof@logical@and\forall i\colon\text{$v_{i}$ is a value}\rho=\\{x_{1}\mapsto v_{1},\dots,x_{n}\mapsto v_{n}\\}\text{$f$ is defined and all $x_{i}$ are fresh}$ Then $t=f(v_{1},\dots,v_{n})$ is ground, as all $v_{i}$ are values. Hence, we have $t\sigma=t=f(x_{1},\dots,x_{n})\rho=f(x_{1},\dots,x_{n})(\sigma\mathrel{\uplus}\rho)\hbox to0.0pt{$\;$.\hss}$ The last equality follows as $\operatorname{\mathsf{dom}}(\sigma)\cap\operatorname{\mathsf{dom}}(\rho)=\varnothing$. By Lemma 4.3 we have $\Phi({\sigma}{:}\,{\Gamma})+p\geqslant\Phi({t\sigma}{:}\,{A})$. Then the theorem follows as $t\sigma=f(x_{1},\dots,x_{n})(\sigma\mathrel{\uplus}\rho)$ from above. 4. 4. Suppose $\Pi$ has the form ${}\sststile{}{1}{\langle{f(x_{1},\dots,x_{n})},{\sigma}\rangle\to\langle{r},{\sigma\mathrel{\uplus}\tau}\rangle}\lx@proof@logical@and f(l_{1},\dots,l_{n})\to r\in\mathcal{R}\forall i\colon x_{i}\sigma=l_{i}\tau\hbox to0.0pt{$\;$.\hss}$ Then $t=f(x_{1},\dots,x_{n})$ and $f(x_{1},\dots,x_{n})\sigma=f(l_{1},\dots,l_{n})\tau$. Suppose $\operatorname{\mathcal{V}\mathsf{ar}}(f(\vec{l}))=\\{y_{1},\dots,y_{\ell}\\}$ and let $\operatorname{\mathcal{V}\mathsf{ar}}(l_{i})=\\{y_{i1},\dots,y_{il_{i}}\\}$ for $i\in\\{1,\dots,n\\}$. As $\mathcal{R}$ is left-linear we have $\operatorname{\mathcal{V}\mathsf{ar}}(f(l_{1},\dots,l_{n}))=\biguplus_{i=1}^{n}\operatorname{\mathcal{V}\mathsf{ar}}(l_{i})$. We set $\Gamma={x_{1}}{:}\,{A_{1}},\dots,{x_{n}}{:}\,{A_{n}}$. By the assumption ${\Gamma}\sststile{}{p}{{t}{:}\,{A}}$ and well-typedness of $\mathcal{R}$ we obtain ${\overbrace{{y_{1}}{:}\,{B_{1}},\dots,{y_{\ell}}{:}\,{B_{\ell}}}^{{}=:\Delta}}\sststile{}{p-1+\sum_{i=1}^{n}k_{i}}{{r}{:}\,{C}}\hbox to0.0pt{$\;$,\hss}$ (6) as in (1). We have $\displaystyle\Phi({\sigma}{:}\,{\Gamma})+p$ $\displaystyle=\sum_{i=1}^{n}\Phi({x_{i}\sigma}{:}\,{A_{i}})+p$ $\displaystyle=\sum_{i=1}^{n}\left(k_{i}+\Phi({y_{i1}\tau}{:}\,{B_{i1}})+\cdots+\Phi({y_{il_{i}}\tau}{:}\,{B_{il_{i}}})\right)+p$ $\displaystyle=\Phi({\tau}{:}\,{\Delta})+\sum_{i=1}^{n}k_{i}+(p-1)+1$ $\displaystyle\geqslant\Phi({r\tau}{:}\,{C})+1\geqslant\Phi({r(\sigma\mathrel{\uplus}\tau)}{:}\,{C})+1\hbox to0.0pt{$\;$.\hss}$ Here the first equality follows by an inspection on the cases for the constructors and $\Phi({\tau}{:}\,{\Delta})+\sum_{i=1}^{n}k_{i}+(p-1)\geqslant\Phi({r\tau}{:}\,{C})$ follows due to Lemma 4.3 and (6). Furthermore note that $r\tau=r(\sigma\mathrel{\uplus}\tau)$, as $\operatorname{\mathsf{dom}}(\sigma)\cap\operatorname{\mathsf{dom}}(\tau)=\varnothing$. 5. 5. Suppose the last rule in $\Pi$ has the form ${}\sststile{}{1}{\langle{f(t_{1},\dots,t_{n})},{\sigma}\rangle\to\langle{f(u,\dots,t_{n})},{\sigma^{\prime}}\rangle}{}\sststile{}{1}{\langle{t_{1}},{\sigma}\rangle\to\langle{u},{\sigma^{\prime}}\rangle}\hbox to0.0pt{$\;$.\hss}$ Wlog. the last rule in the type inference $\Xi$ is of the following form, where we can assume that every variable occurs at most once in $f(t_{1},\dots,t_{n})$. ${\underbrace{\Gamma_{1},\dots,\Gamma_{n}}_{{}=:\Gamma}}\sststile{}{p}{{f(t_{1},\dots,t_{n})}{:}\,{C}}\lx@proof@logical@and{\overbrace{{x_{1}}{:}\,{A_{1}},\dots,{x_{n}}{:}\,{A_{n}}}^{{}=:\Delta}}\sststile{}{p_{0}}{{f(\vec{x})}{:}\,{C}}{\Gamma_{1}}\sststile{}{p_{1}}{{t_{1}}{:}\,{A_{1}}}\cdots{\Gamma_{n}}\sststile{}{p_{n}}{{t_{n}}{:}\,{A_{n}}}p=\sum_{i=0}^{n}p_{i}\hbox to0.0pt{$\;$.\hss}$ By induction hypothesis on ${}\sststile{}{1}{\langle{t_{1}},{\sigma}\rangle\to\langle{u},{\sigma^{\prime}}\rangle}$ and ${\Gamma_{1}}\sststile{}{p_{1}}{{t_{1}}{:}\,{A_{1}}}$ we obtain (i) $\Phi({\sigma}{:}\,{\Gamma_{1}})-\Phi({u\sigma^{\prime}}{:}\,{A_{1}})+p_{1}\geqslant 1$ and $n-1$ applications of Lemma 4.3 yield (ii) $\Phi({\sigma}{:}\,{\Gamma_{i}})+p_{i}\geqslant\Phi({t_{i}\sigma}{:}\,{A_{i}})$ for all $i=2,\dots,n$. We set $\rho\mathrel{:=}\\{x_{1}\to u\sigma^{\prime},x_{2}\to t_{2}\sigma,\dots,x_{n}\to t_{n}\sigma\\}$. Another application of Lemma 4.3 on ${\Delta}\sststile{}{p_{0}}{{f(x_{1},\dots,x_{n})}{:}\,{C}}$ yields (iii) $\Phi({\rho}{:}\,{\Delta})+p_{0}\geqslant\Phi({f(x_{1}\rho,x_{2}\rho,\dots,x_{n}\rho)}{:}\,{C})$. Finally, we observe $\Phi({\sigma}{:}\,{\Gamma})=\sum_{i=1}^{n}\Phi({\sigma}{:}\,{\Gamma_{i}}$. The theorem follows by combining the equations in (i)–(iii). 6. 6. Suppose $\Xi$ is of form: ${\Gamma}\sststile{}{p^{\prime}}{{t}{:}\,{C}}\lx@proof@logical@and{\Gamma}\sststile{}{p}{{t}{:}\,{C}}p^{\prime}\geqslant p$ By side-induction on ${\Gamma}\sststile{}{p}{{t}{:}\,{C}}$ and ${}\sststile{}{m}{\langle{t},{\sigma}\rangle\to\langle{u},{\sigma^{\prime}}\rangle}$ we conclude that $\Phi({\sigma}{:}\,{\Gamma})-\Phi({u\sigma^{\prime}}{:}\,{A})+p\geqslant m$. Then the theorem follows from the assumption $p^{\prime}\geqslant p$. 7. 7. Suppose $\Xi$ is of form: ${\Gamma,{x}{:}\,{A}}\sststile{}{p}{{t}{:}\,{C}}{\Gamma}\sststile{}{p}{{t}{:}\,{C}}$ We conclude by side-induction that $\Phi({\sigma}{:}\,{\Gamma})-\Phi({u\sigma^{\prime}}{:}\,{A}+p\geqslant m$. As $\Phi({\sigma}{:}\,{\Gamma,{x}{:}\,{A}})\geqslant\Phi({\sigma}{:}\,{\Gamma})$ the theorem follows. 8. 8. Suppose $\Xi$ is of form: ${\Gamma,{z}{:}\,{A}}\sststile{}{p}{{t[z,z]}{:}\,{C}}\lx@proof@logical@and{\Gamma,{x}{:}\,{A_{1}},{y}{:}\,{A_{2}}}\sststile{}{p}{{t[x,y]}{:}\,{C}}\curlyvee\\!({A}\\!\mid\\!{A_{1},A_{2}})$ By assumption ${}\sststile{}{m}{\langle{t[z,z]},{\sigma}\rangle\to\langle{u},{\sigma^{\prime}}\rangle}$; let $\rho\mathrel{:=}\sigma\mathrel{\uplus}\\{x\mapsto z\sigma,y\mapsto z\sigma\\}$. By side-induction on ${\Gamma,{x}{:}\,{A_{1}},{y}{:}\,{A_{2}}}\sststile{}{p}{{t[x,y]}{:}\,{C}}$ and ${}\sststile{}{m}{\langle{t[x,y]},{\rho}\rangle\to\langle{u},{\sigma^{\prime}}\rangle}$ we conclude that for all $\Phi({\rho}{:}\,{\Gamma,{x}{:}\,{A_{1}},{y}{:}\,{A_{2}}})-\Phi({u\sigma^{\prime}}{:}\,{A})+p\geqslant m$. By definition of $\rho$ and Lemma 3.1, we obtain $\Phi({\sigma}{:}\,{\Gamma,{z}{:}\,{A}})=\Phi({\rho}{:}\,{\Gamma,{x}{:}\,{A_{1}},{y}{:}\,{A_{2}}})$, from which the theorem follows. 9. 9. Suppose $\Xi$ ends either in a sub- or in a supertyping rule: ${\Gamma,{x}{:}\,{A}}\sststile{}{p}{{t}{:}\,{C}}\lx@proof@logical@and{\Gamma,{x}{:}\,{B}}\sststile{}{p}{{t}{:}\,{C}}A\mathrel{<:}B\hskip 43.05542pt{\Gamma}\sststile{}{p}{{t}{:}\,{C}}\lx@proof@logical@and{\Gamma}\sststile{}{p}{{t}{:}\,{D}}D\mathrel{<:}C$ Consider the first rule. By assumption ${}\sststile{}{m}{\langle{t},{\sigma}\rangle\to\langle{u},{\sigma^{\prime}}\rangle}$ and by definition $\Phi({\sigma}{:}\,{\Gamma,{x}{:}\,{A}})\geqslant\Phi({\sigma}{:}\,{\Gamma,{x}{:}\,{B}})$. Thus the theorem follows by side-induction hypothesis. ∎ ## 5 Typed Polynomial Interpretations We adapt the concept of polynomial interpretation to typed TRSs. For that we suppose a mapping $\llbracket{\cdot}\rrbracket$ that assigns to every _annotated_ type $C$ a subset of the natural numbers, whose elements are ordered with $>$ in the standard way. The set $\llbracket{C}\rrbracket$ is called the _interpretation_ of $C$. ###### Definition 5.1. An _interpretation $\gamma$ of function symbols_ is a mapping from function symbols and types to functions over ${\mathbb{N}}$. Consider a function symbol $f$ and an annotated type $C$ such that $\mathcal{F}(f)\owns[{A_{1}\times\cdots\times A_{n}}]\xrightarrow{p}{C}$. Then the interpretation $\gamma(f,C)\colon\llbracket{A_{1}}\rrbracket\times\cdots\times\llbracket{A_{n}}\rrbracket\to\llbracket{C}\rrbracket$ of $f$ is defined as follows: $\gamma(f,C)(x_{1},\dots,x_{n})\mathrel{:=}x_{1}+\cdots+x_{n}+p\hbox to0.0pt{$\;$.\hss}$ Note that by assumption the declaration in $\mathcal{F}(f)$ is unique and thus $\gamma(f,C)$ is unique. Interpretations of function symbols naturally extend to interpretation on ground terms. $\llbracket{{f(t_{1},\dots,t_{n})}{:}\,{C}}\rrbracket^{\gamma}\mathrel{:=}\gamma(f,C)(\llbracket{{t_{1}}{:}\,{A_{1}}}\rrbracket^{\gamma},\dots,\llbracket{{t_{n}}{:}\,{A_{n}}}\rrbracket^{\gamma})\hbox to0.0pt{$\;$.\hss}$ Let $\mathcal{R}$ be a well-typed and let the interpretation $\gamma$ of function symbols in $\mathcal{F}$ be induced by the well-typing of $\mathcal{R}$. Then by construction $\llbracket{{t}{:}\,{A}}\rrbracket^{\gamma}=\Phi({t}{:}\,{A})$. ###### Example 5.1 (continued from Example 3.3). Based on Definition 5.1 we obtain the following definitions of the interpretation of function symbols $\gamma$. We start with the constructor symbols. $\displaystyle\gamma(\mathsf{0},\mathsf{Nat}^{p})$ $\displaystyle=0$ $\displaystyle\hskip 8.61108pt\gamma(\mathsf{s},\mathsf{Nat}^{p})(x)$ $\displaystyle=x+p$ $\displaystyle\hskip 8.61108pt\gamma(\mathsf{err\\_head},\mathsf{Nat}^{p})$ $\displaystyle=0$ $\displaystyle\gamma(\mathsf{nil},\mathsf{List}^{q})$ $\displaystyle=0$ $\displaystyle\hskip 8.61108pt\gamma(\mathrel{\mathsf{\sharp}},\mathsf{List}^{q})(x,y)$ $\displaystyle=x+y+q$ $\displaystyle\hskip 8.61108pt\gamma(\mathsf{err\\_tail},\mathsf{Q}^{{(0,1)}})$ $\displaystyle=0$ $\displaystyle\gamma(\mathsf{que},\mathsf{Q}^{{(0,1)}})(x,y)$ $\displaystyle=x+y\hbox to0.0pt{$\;$,\hss}$ where $p,q\in{\mathbb{N}}$. Similarly the definition of $\gamma$ for defined symbols follows from the signature detailed in Example 3.3. It is not difficult to see that for any rule $l\to r\in\mathcal{R}_{\mathsf{que}}$ and any substitution $\sigma$, we obtain $\llbracket{l\sigma}\rrbracket^{\gamma}>\llbracket{r\sigma}\rrbracket^{\gamma}$. We show this for rule 1. $\displaystyle\llbracket{{\mathsf{chk}(\mathsf{que}(\mathsf{nil},r\sigma))}{:}\,{\mathsf{Q}^{{(0,1)}}}}\rrbracket^{\gamma}$ $\displaystyle=\llbracket{{r\sigma}{:}\,{\mathsf{List}^{1}}}\rrbracket^{\gamma}+3>0$ $\displaystyle=\llbracket{{\mathsf{rev}(r\sigma)}{:}\,{\mathsf{List}^{0}}}\rrbracket^{\gamma}+\llbracket{{\mathsf{nil}}{:}\,{\mathsf{List}^{1}}}\rrbracket^{\gamma}$ $\displaystyle=\llbracket{{\mathsf{que}(\mathsf{rev}(r\sigma),\mathsf{nil})}{:}\,{\mathsf{Q}^{{(0,1)}}}}\rrbracket^{\gamma}\hbox to0.0pt{$\;$.\hss}$ Orientability of $\mathcal{R}_{\mathsf{que}}$ with the above given interpretation implies the optimal linear innermost runtime complexity. We lift the standard order $>$ on the interpretation domain ${\mathbb{N}}$ to an order on terms as follows. Let $s$ and $t$ be terms of type $A$. Then $s>t$ if for all well-typed substitutions $\sigma$ we have $\llbracket{{s\sigma}{:}\,{A}}\rrbracket^{\gamma}>\llbracket{{t\sigma}{:}\,{A}}\rrbracket^{\gamma}$. ###### Theorem 5.1. Let $\mathcal{R}$ be well-typed, constructor TRS over signature $\mathcal{F}$ and let the interpretation of function symbols $\gamma$ be induced by the type system. Then $l>r$ for any rule ${l\to r}\in\mathcal{R}$. Thus if for all ground basic terms $t$ and types $A$: $\llbracket{{t}{:}\,{A}}\rrbracket^{\gamma}\in\operatorname{\mathsf{O}}(n^{k})$, where $n=\lvert{t}\rvert$, then $\operatorname{\mathsf{rc}}_{\mathcal{R}}(n)\in\operatorname{\mathsf{O}}(n^{k})$. ###### Proof. Let $l=f(l_{1},\dots,l_{n})$ and let $x_{1},\dots,x_{n}$ be fresh variables. Suppose further $\mathcal{F}(f)\owns[{A_{1}\times\cdots\times A_{n}}]\xrightarrow{p}{C}$. As $\mathcal{R}$ is well-typed we have ${\overbrace{{x_{1}}{:}\,{A_{1}},\dots,{x_{n}}{:}\,{A_{n}}}^{{}=:\Gamma}}\sststile{}{p}{{f(x_{1},\dots,x_{n})}{:}\,{C}}\hbox to0.0pt{$\;$,\hss}$ for $p\in{\mathbb{N}}$. Now suppose that $\tau$ denotes any well-typed substitution for the rule $l\to r$. It is standard way, we extend $\tau$ to a well-typed substitution $\sigma$ such that $l\tau=f(x_{1},\dots,x_{n})\sigma$. By definition of the small-step semantics, we obtain ${}\sststile{}{1}{\langle{f(x_{1},\dots,x_{n})},{\sigma}\rangle\to\langle{r},{\sigma\mathrel{\uplus}\tau}\rangle}\hbox to0.0pt{$\;$.\hss}$ Then by Lemma 4.1, $\Phi({\sigma}{:}\,{\Gamma})+p>\Phi({r(\sigma\mathrel{\uplus}\tau)}{:}\,{C})$ and by definitions, we have: $\Phi({l\tau}{:}\,{C})=\Phi({f(x_{1}\sigma,\dots,x_{n}\sigma)}{:}\,{C})=\sum_{i=1}^{n}\Phi({x_{i}\sigma}{:}\,{A_{i}})+p=\Phi({\sigma}{:}\,{\Gamma})+p\hbox to0.0pt{$\;$.\hss}$ Furthermore, observe that $r(\sigma\mathrel{\uplus}\tau)=r\tau$ as $\operatorname{\mathsf{dom}}(\sigma)\cap\operatorname{\mathsf{dom}}(\tau)=\varnothing$. In sum, we obtain $\Phi({l\tau}{:}\,{C})>\Phi({r\tau}{:}\,{C})$, from which we conclude $\llbracket{{l\tau}{:}\,{C}}\rrbracket^{\gamma}{\gamma}>\llbracket{{r\tau}{:}\,{C}}\rrbracket^{\gamma}$. As $\tau$ was chosen arbitrarily, we obtain ${\mathcal{R}}\subseteq{>}$. ∎ We say that an interpretation _orients_ a typed TRS $\mathcal{R}$, if ${\mathcal{R}}\subseteq{>}$. As an immediate consequence of the theorem, we obtain the following corollary. ###### Corollary 5.1. Let $\mathcal{R}$ be a well-typed and constructor TRS. Then there exists a typed polynomial interpretation over ${\mathbb{N}}$ that orients $\mathcal{R}$. At the end of Section 3 we have remarked on the automatabilty of the obtained amortised analysis. Observe that Theorem 5.1 gives rise to a conceptually quite different implementation. Instead of encoding the constraints of the typing rules in Figure 2 one directly encode the orientability constraints for each rule, cf. contejean:2005 . ## 6 Conclusion This paper is concerned with the connection between amortised resource analysis, originally introduced for functional programs, and polynomial interpretations, which are frequently used in complexity and termination analysis of rewrite systems. In order to study this connection we established a novel resource analysis for typed term rewrite systems based on a potential-based type system. This type system gives rise to polynomial bounds for innermost runtime complexity. A key observation is that the classical notion of potential can be altered so that not only values but any term can be assigned a potential. Ie. the potential function $\Phi$ is conceivable as an interpretation. Based on this observation we have shown that well-typedness of a TRSs $\mathcal{R}$ induces a typed polynomial interpretation orienting $\mathcal{R}$. Apart from clarifying the connection between amortised resource analysis and polynomial interpretation our results seems to induce two new methods for the innermost runtime complexity of typed TRSs as indicated above. We emphasise that these methods are not restricted to typed TRSs, as our cost model gives rise to a _persistent_ property. Here a property is persistent if, for any typed TRS $\mathcal{R}$ the property holds iff it holds for the corresponding untyped TRS $\mathcal{R}^{\prime}$. While termination is in general not persistent TeReSe , it is not difficult to see that the runtime complexity is a persistent property. This is due to the restricted set of starting terms. Thus it seems that the proposed techniques directly give rise to novel methods of automated innermost runtime complexity analysis. In future work we will clarify whether the established results extend to the multivariate amortised resource analysis presented in HAH12b . Furthermore, we will strive for automation to assess the viability of the established methods. ## References * (1) E. Albert, P. Arenas, S. Genaim, and G. Puebla. Closed-form upper bounds in static cost analysis. JAR, 46(2), 2011. * (2) C. Alias, A. Darte, P. Feautrier, and L. Gonnord. Multi-dimensional rankings, program termination, and complexity bounds of flowchart programs. In Proc. 17th SAS, volume 6337 of LNCS, pages 117–133, 2010\. * (3) M. Avanzini and G. Moser. A combination framework for complexity. In Proc. 24th RTA, volume 21 of LIPIcs, pages 55–70, 2013\. * (4) M. Avanzini and G. Moser. Tyrolean complexity tool: Features and usage. In Proc. 24th RTA, volume 21 of LIPIcs, pages 71–80, 2013\. * (5) F. Baader and T. Nipkow. Term Rewriting and All That. Cambridge University Press, 1998. * (6) G. Bonfante, A. Cichon, J.-Y. Marion, and H. Touzet. Algorithms with polynomial interpretation termination proof. JFP, 11(1):33–53, 2001. * (7) E. Contejean, C. Marché, A.-P. Tomás, and X. Urbain. Mechanically proving termination using polynomial interpretations. Journal of Automated Reasoning, 34(4):325–363, 2005. * (8) S. Gulwani and F. Zuleger. The reachability-bound problem. In Proc. PLDI’10, pages 292–304. ACM, 2010. * (9) J. Hoffmann. Types with Potential: Polynomial Resource Bounds via Automatic Amortized Analysis. PhD thesis, Ludwig-Maximilians-Universiät München, 2011. * (10) J. Hoffmann, K. Aehlig, and M. Hofmann. Multivariate amortized resource analysis. ACM Trans. Program. Lang. Syst., 34(3):14, 2012. * (11) J. Hoffmann, K. Aehlig, and M. Hofmann. Resource aware ML. In Proc. 24th CAV, volume 7358 of LNCS, pages 781–786, 2012\. * (12) J. Hoffmann and M. Hofmann. Amortized resource analysis with polymorphic recursion and partial big-step operational semantics. In Proc. 8th APLAS, volume 6461 of LNCS, pages 172–187, 2010\. * (13) J. Hoffmann and M. Hofmann. Amortized resource analysis with polynomial potential. In Proc. 19th ESOP, volume 6012 of LNCS, pages 287–306, 2010\. * (14) M. Hofmann and S. Jost. Static prediction of heap space usage for first-order functional programs. In Proc. 30th POPL, pages 185–197. ACM, 2003. * (15) S. Jost, H.-W. Loidl, K. Hammond, N. Scaife, and M. Hofmann. “Carbon Credits” for resource-bounded computations using amortised analysis. In Proc. 2nd FM, volume 5850 of LNCS, pages 354–369. Springer Verlag, 2009. * (16) J.-P. Jouannaud and A. Rubio. The higher-order recursive path ordering. In Proc. 14th LICS, pages 402–411. IEEE Computer Society, 1999\. * (17) L. Noschinski, F. Emmes, and J. Giesl. Analyzing innermost runtime complexity of term rewriting by dependency pairs. JAR, 51(1):27–56, 2013. * (18) C. Okasaki. Purely functional data structures. Cambridge University Press, 1999. * (19) R. Tarjan. Amortized computational complexity. SIAM J. Alg. Disc. Meth, 6(2):306–318, 1985. * (20) TeReSe. Term Rewriting Systems, volume 55 of Cambridge Tracks in Theoretical Computer Science. Cambridge University Press, 2003. * (21) A. Turing. Checking a large routine. In In Report of a Conference on High Speed Automatic Calculating Machines, pages 67–69. University Mathematics Lab, Cambridge University, 1949\. * (22) F. Zuleger, S. Gulwani, M. Sinn, and H. Veith. Bound analysis of imperative programs with the size-change abstraction. In Proc. of 18th International Symposium on Static Analysis, volume 6887 of LNCS, pages 280–297. Springer Verlag, 2011.
arxiv-papers
2014-02-09T07:08:04
2024-09-04T02:49:57.977087
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Martin Hofmann and Georg Moser", "submitter": "Georg Moser", "url": "https://arxiv.org/abs/1402.1922" }
1402.2031
# Deeply Coupled Auto-encoder Networks for Cross-view Classification Wen Wang, Zhen Cui, Hong Chang, Shiguang Shan, Xilin Chen Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China {wen.wang, zhen.cui, hong.chang, shiguang.shan, xilin.chen}@vipl.ict.ac.cn (November 2013) ###### Abstract The comparison of heterogeneous samples extensively exists in many applications, especially in the task of image classification. In this paper, we propose a simple but effective coupled neural network, called Deeply Coupled Autoencoder Networks (DCAN), which seeks to build two deep neural networks, coupled with each other in every corresponding layers. In DCAN, each deep structure is developed via stacking multiple discriminative coupled auto- encoders, a denoising auto-encoder trained with maximum margin criterion consisting of intra-class compactness and inter-class penalty. This single layer component makes our model simultaneously preserve the local consistency and enhance its discriminative capability. With increasing number of layers, the coupled networks can gradually narrow the gap between the two views. Extensive experiments on cross-view image classification tasks demonstrate the superiority of our method over state-of-the-art methods. ## 1 Introduction Real-world objects often have different views, which might be endowed with the same semantic. For example, face images can be captured in different poses, which reveal the identity of the same object; images of one face can also be in different modalities, such as pictures under different lighting condition, pose, or even sketches from artists. In many computer vision applications, such as image retrieval, interests are taken in comparing two types of heterogeneous images, which may come from different views or even different sensors. Since the spanned feature spaces are quite different, it is very difficult to classify these images across views directly. To decrease the discrepancy across views, most of previous works endeavored to learn view- specific linear transforms and to project cross-view samples into a common latent space, and then employed these newly generated features for classification. Though there are lots of approaches used to learn view-specific projections, they can be divided roughly based on whether the supervised information is used. Unsupervised methods such as Canonical Correlation Analysis (CCA)[14] and Partial Least Square (PLS) [26] are employed to the task of cross-view recognition. Both of them attempt to use two linear mappings to project samples into a common space where the correlation is maximized, while PLS considers the variations rather than only the correlation in the target space. Besides, with use of the mutual information, a Coupled Information-Theoretic Encoding (CITE) method is developed to narrow the inter-view gap for the specific photo-sketch recognition task. And in [30], a semi-coupled dictionary is used to bridge two views. All the methods above consider to reduce the discrepancy between two views, however, the label information is not explicitly taken into account. With label information available, many methods were further developed to learn a discriminant common space For instance, Discriminative Canonical Correlation Analysis (DCCA) [16] is proposed as an extension of CCA. And In [22], with an additional local smoothness constraints, two linear projections are simultaneously learnt for Common Discriminant Feature Extraction (CDFE). There are also other such methods as the large margin approach [8] and the Coupled Spectral Regression (CSR) [20]. Recently, multi-view analysis [27, 15] is further developed to jointly learn multiple specific-view transforms when multiple views (usually more than 2 views) can be available. Although the above methods have been extensively applied in the cross-view problem, and have got encouraging performances, they all employed linear transforms to capture the shared features of samples from two views. However, these linear discriminant analysis methods usually depend on the assumption that the data of each class agrees with a Gaussian distribution, while data in real world usually has a much more complex distribution [33]. It indicates that linear transforms are insufficient to extract the common features of cross-view images. So it’s natural to consider about learning nonlinear features. A recent topic of interest in nonlinear learning is the research in deep learning. Deep learning attempts to learn nonlinear representations hierarchically via deep structures, and has been applied successfully in many computer vision problems. Classical deep learning methods often stack or compose multiple basic building blocks to yield a deeper structure. See [5] for a recent review of Deep Learning algorithms. Lots of such basic building blocks have been proposed, including sparse coding [19], restricted Boltzmann machine (RBM) [12], auto-encoder [13, 6], etc. Specifically, the (stacked) auto-encoder has shown its effectiveness in image denoising [32], domain adaptation [7], audio-visual speech classification [23], etc. As we all known, the kernel method, such as Kernel Canonical Correlation Analysis(Kernel CCA) [1], is also a widely used approach to learn nonlinear representations. Compared with the kernel method, deep learning is much more flexible and time-saving because the transform is learned rather than fixed and the time needed for training and inference process is beyond the limit of the size of training set. Inspired by the deep learning works above, we intend to solve the cross-view classification task via deep networks. It’s natural to build one single deep neural network with samples from both views, but this kind of network can’t handle complex data from totally different modalities and may suffer from inadequate representation capacity. Another way is to learn two different deep neural networks with samples of the different views. However, the two independent networks project samples from different views into different spaces, which makes comparison infeasible. Hence, building two neural networks coupled with each other seems to be a better solution. In this work, we propose a Deeply Coupled Auto-encoder Networks(DCAN) method that learns the common representations to conduct cross-view classification by building two neural networks deeply coupled respectively, each for one view. We build the DCAN by stacking multiple discriminative coupled auto-encoders, a denoising auto-encoder with maximum margin criterion. The discriminative coupled auto-encoder has a similar input corrupted and reconstructive error minimized mechanism with the denoising auto-encoder proposed in [28], but is modified by adding a maximum margin criterion. This kind of criterion has been used in previous works, like [21, 29, 35], etc. Note that the counterparts from two views are added into the maximum margin criterion simultaneously since they both come from the same class, which naturally couples the corresponding layer in two deep networks. A schematic illustration can be seen in Fig.1. The proposed DCAN is related to Multimodal Auto-encoders [23], Multimodal Restricted Boltzmann Machines and Deep Canonical Correlation Analysis [3]. The first two methods tend to learn a single network with one or more layers connected to both views and to predict one view from the other view, and the Deep Canonical Correlation Analysis build two deep networks, each for one view, and only representations of the highest layer are constrained to be correlated. Therefore, the key difference is that we learn two deep networks coupled with each other in representations in each layer, which is of great benefits because the DCAN not only learn two separate deep encodings but also makes better use of data from the both two views. What’s more, these differences allow for our model to handle the recognition task even when data is impure and insufficient. The rest of this paper is organized as follows. Section 2 details the formulation and solution to the proposed Deeply Coupled Auto-encoder Networks. Experimental results in Section 3 demonstrate the efficacy of the DCAN. In section 4 a conclusion is given. ## 2 Deeply Coupled Auto-encoder Networks In this section, we first present the basic idea. The second part gives a detailed description of the discriminative coupled auto-encoder. Then, we describe how to stack multiple layers to build a deep network. Finally, we briefly describe the optimization of the model. ### 2.1 Basic Idea Figure 1: An illustration of our proposed DCAN. The left-most and right-most schematic show the structure of the two coupled network respectively. And the schematic in the middle illustrates how the whole network gradually enhances the separability with increasing layers, where pictures with solid line border denote samples from view 1, those with dotted line border denote samples from view 2, and different colors imply different subjects. As shown in Fig.1, the Deeply Coupled Auto-encoder Networks(DCAN) consists of two deep networks coupled with each other, and each one is for one view. The network structures of the two deep networks are just like the left-most and the right-most parts in Fig.1, where circles means the units in each layers (pixels in a input image for the input layer and hidden representation in higher layers), and arrows denote the full connections between adjacent layers. And the middle part of Fig.1 illustrates how the whole network projects samples in different views into a common space and gradually enhances the separability with increasing layers. The two deep networks are both built through stacking multiple similar coupled single layer blocks because a single coupled layer might be insufficient, and the method of stacking multiple layers and training each layer greedily has be proved efficient in lots of previous works, such as those in [13, 6]. With the number of layers increased, the whole network can compactly represent a significantly larger set of transforms than shallow networks , and gradually narrow the gap with the discriminative capacity enhanced. We use a discriminative coupled auto-encoders trained with maximum margin criterion as a single layer component. Concretely, we incorporate the additional noises in the training process while maximizing the margin criterion, which makes the learnt mapping more stable as well as discriminant. Note that the maximum margin criterion also works in coupling two corresponding layers. Formally, the discriminative coupled auto-encoder can be written as follows: $\displaystyle\quad\min_{f_{x},f_{y}}\quad L(X,f_{x})+L(Y,f_{y})$ (1) $\displaystyle s.t.\quad G_{1}(H_{x},H_{y})-G_{2}(H_{x},H_{y})\leq\varepsilon,$ (2) where $X,Y$ denote inputs from the two views, and $H_{x},H_{y}$ denote hidden representations of the two views respectively. $f_{x}:X\longrightarrow H_{x},f_{y}:Y\longrightarrow H_{y}$ are the transforms we intend to learn, and we denote the reconstructive error as $L(\cdot)$, and maximum margin criterion as $G_{1}(\cdot)-G_{2}(\cdot)$, which are described detailedly in the next subsection.$\varepsilon$ is the threshold of the maximum margin criterion. ### 2.2 Discriminative coupled auto-encoder In the problem of cross-view, there are two types of heterogenous samples. Without loss of generality, we denote samples from one view as $X=[x_{1},\cdots,x_{n}]$ , and those from the other view as $Y=[y_{1},\cdots,y_{n}]$, in which $n$ is the sample sizes. Noted that the corresponding labels are known, and $H_{x},H_{y}$ denote hidden representations of the two views we want to learn. The DCAN attempts to learn two nonlinear transforms $f_{x}:X\longrightarrow H_{x}$ and $f_{y}:Y\longrightarrow H_{y}$ that can project the samples from two views to one discriminant common space respectively, in which the local neighborhood relationship as well as class separability should be well preserved for each view. The auto-encoder like structure stands out in preserving the local consistency, and the denoising form enhances the robustness of learnt representations. However, the discrimination isn’t taken into consideration. Therefore, we modify the denoising auto-encoder by adding a maximum margin criterion consisting of intra-class compactness and inter- class penalty. And the best nonlinear transformation is a trade-off between local consistency preserving and separability enhancing. Just like the one in denoising auto-encoder, the reconstructive error $L(\cdot)$ in Eq.(1) is formulated as follows: $\displaystyle L(X,\Theta)=\sum_{x\in{X^{p}}}{\mathbb{E}_{\tilde{x}\sim{P(\tilde{x}|x)}}}\|\hat{x}-x\|$ (3) $\displaystyle L(Y,\Theta)=\sum_{y\in{Y^{p}}}{\mathbb{E}_{\tilde{y}\sim{P(\tilde{y}|y)}}}\|\hat{y}-y\|$ (4) where $\mathbb{E}$ calculates the expectation over corrupted versions $\tilde{X},\tilde{Y}$ of examples $X,Y$ obtained from a corruption process $P(\tilde{x}|x),P(\tilde{y}|y)$. $\Theta=\\{W_{x},W_{y},b_{x},b_{y},c_{x},c_{y}\\}$ specifies the two nonlinear transforms $f_{x},f_{y}$ , where $W_{x},W_{y}$ is the weight matrix, and $b_{x},b_{y},c_{x},c_{y}$ are the bias of encoder and decoder respectively, and $\hat{X},\hat{Y}$ are calculated through the decoder process : $\begin{split}\hat{X}=s(W_{x}^{T}H_{x}+c_{x})\\\ \hat{Y}=s(W_{y}^{T}H_{y}+c_{y})\end{split}$ (5) And hidden representations $H_{x},H_{y}$ are obtained from the encoder that is a similar mapping with the decoder, $\begin{split}H_{x}=s(W_{x}\tilde{X}+b_{x})\\\ H_{y}=s(W_{y}\tilde{Y}+b_{y})\end{split}$ (6) where $s$ is the nonlinear activation function, such as the point-wise hyperbolic tangent operation on linear projected features, i.e., $s(x)=\frac{e^{ax}-e^{-ax}}{e^{ax}+e^{-ax}}$ (7) in which $a$ is the gain parameter. Moreover, for the maximum margin criterion consisting of intra-class compactness and inter-class penalty, the constraint term $G_{1}(\cdot)-G_{2}(\cdot)$ in Eq.(1) is used to realize coupling since samples of the same class are treated similarly no matter which view they are from. Assuming $S$ is the set of sample pairs from the same class, and $D$ is the set of sample pairs from different classes. Note that the counterparts from two views are naturally added into $S,D$ since it’s the class rather than the view that are considered. Then, we characterize the compactness as follows, $\displaystyle G_{1}(H)=\frac{1}{2N_{1}}\sum\limits_{I_{i},I_{j}\in{S}}\|h_{i}-h_{j}\|^{2},$ (8) where $h_{i}$ denotes the corresponding hidden representation of an input $I_{i}\in{X\bigcap{Y}}$ and is a sample from either view 1 or view 2, and $N_{1}$ is the size of $S$. Meanwhile, the goal of the inter-class separability is to push the adjacent samples from different classes far away, which can be formulated as follows, $\displaystyle G_{2}(H)=\frac{1}{2N_{2}}\sum\limits_{\tiny\begin{subarray}{c}I_{i},I_{j}\in{D}\\\ I_{j}\in{KNN(I_{i})}\end{subarray}}\|h_{i}-h_{j}\|^{2},$ (9) where $I_{j}$ belongs to the $k$ nearest neighbors of $I_{i}$ with different class labels, and $N_{2}$ is the number of all pairs satisfying the condition. And the function of $G_{1}(H),G_{2}(H)$ is illustrated in the middel part of Fig.1. In the projected common space denoted by $S$, the compactness term $G_{1}(\cdot)$ shown by red ellipse works by pulling intra-class samples together while the penalty term $G_{2}(\cdot)$ shown by black ellipse tend to push adjacent inter-class samples away. Finally, by solving the optimization problem Eq.(1), we can learn a couple of nonlinear transforms $f_{x},f_{y}$ to transform the original samples from both views into a common space. ### 2.3 Stacking coupled auto-encoder Through the training process above, we model the map between original sample space and a preliminary discriminant subspace with gap eliminated, and build a hidden representation $H$ which is a trade-off between approximate preservation on local consistency and the distinction of the projected data. But since real-world data is highly complicated, using a single coupled layer to model the vast and complex real scenes might be insufficient. So we choose to stack multiple such coupled network layers described in subsection 2.2. With the number of layers increased, the whole network can compactly represent a significantly larger set of transforms than shallow networks, and gradually narrow the gap with the discriminative ability enhanced. Training a deep network with coupled nonlinear transforms can be achieved by the canonical greedy layer-wise approach [12, 6]. Or to be more precise, after training a single layer coupled network, one can compute a new feature $H$ by the encoder in Eq.(6) and then feed it into the next layer network as the input feature. In practice, we find that stacking multiple such layers can gradually reduce the gap and improve the recognition performance (see Fig.1 and Section 3). ### 2.4 Optimization We adopt the Lagrangian multiplier method to solve the objective function Eq.(1) with the constraints Eq.(2) as follows: $\begin{split}\min_{\Theta}\quad&\lambda(L(X,\Theta)+L(Y,\Theta))+(G_{1}(H)-G_{2}(H))+\\\ &\gamma(\frac{1}{2}\|W_{x}\|_{F}^{2}+\frac{1}{2}\|W_{y}\|_{F}^{2})\end{split}$ (10) where the first term is the the reconstruction error, the second term is the maximum margin criterion, and the last term is the shrinkage constraints called the Tikhonov regularizers in [11], which is utilized to decrease the magnitude of the weights and further to help prevent over-fitting. $\lambda$ is the balance parameter between the local consistency and empirical separability. And $\gamma$ is called the weight decay parameter and is usually set to a small value, e.g., 1.0e-4. To optimize the objective function (10), we use back-propagation to calculate the gradient and then employ the limited-memory BFGS (L-BFGS) method [24, 17], which is often used to solve nonlinear optimization problems without any constraints. L-BFGS is particularly suitable for problems with a large amount of variables under the moderate memory requirement. To utilize L-BFGS, we need to calculate the gradients of the object function. Obviously, the object function in (10) is differential to these parameters $\Theta$, and we use Back-propagation [18] method to derive the derivative of the overall cost function. In our setting, we find the objective function can achieve as fast convergence as described in [17]. ## 3 Experiments In this section, the proposed DCAN is evaluated on two datasets, Multi-PIE [9] and CUHK Face Sketch FERET (CUFSF) [34, 31]. ### 3.1 Databases Multi-PIE dataset [9] is employed to evaluate face recognition across pose. Here a subset from the 337 subjects in 7 poses ($-45^{\circ},-30^{\circ},-15^{\circ},0^{\circ},15^{\circ},30^{\circ},45^{\circ}$), 3 expression (Neutral,Smile, Disgust), no flush illumination from 4 sessions are selected to validate our method. We randomly choose 4 images for each pose of each subject, then randomly partition the data into two parts: the training set with 231 subjects (i.e., $231\times 7\times 4=6468$ images) and the testing set with the rest subjects. CUHK Face Sketch FERET (CUFSF) dataset [34, 31] contains two types of face images: photo and sketch. Total 1,194 images (one image per subject) were collected with lighting variations from FERET dataset [25]. For each subject, a sketch is drawn with shape exaggeration. According to the configuration of [15], we use the first 700 subjects as the training data and the rest subjects as the testing data. ### 3.2 Settings All images from Multi-PIE and CUFSF are cropped into 64$\times$80 pixels without any preprocess. We compare the proposed DCAN method with several baselines and state-of-the-art methods, including CCA [14], Kernel CCA [1], Deep CCA [3], FDA [4], CDFE [22], CSR [20], PLS [26] and MvDA [15]. The first seven methods are pairwise methods for cross-view classification. MvDA jointly learns all transforms when multiple views can be utilized, and has achieved the state-of-the-art results in their reports [15]. The Principal Component Analysis (PCA) [4] is used for dimension reduction. In our experiments, we set the default dimensionality as 100 with preservation of most energy except Deep CCA, PLS, CSR and CDFE, where the dimensionality are tuned in [50,1000] for the best performance. For all these methods, we report the best performance by tuning the related parameters according to their papers. Firstly, for Kernel CCA, we experiment with Gaussian kernel and polynomial kernel and adjust the parameters to get the best performance. Then for Deep CCA [3], we strictly follow their algorithms and tune all possible parameters, but the performance is inferior to CCA. One possible reason is that Deep CCA only considers the correlations on training data (as reported in their paper) so that the learnt mode overly fits the training data, which thus leads to the poor generality on the testing set. Besides, the parameter $\alpha$ and $\beta$ are respectively traversed in [0.2,2] and [0.0001,1] for CDFE, the parameter $\lambda$ and $\eta$ are searched in [0.001,1] for CSR, and the reduced dimensionality is tuned for CCA, PLS, FDA and MvDA. As for our proposed DCAN, the performance on CUFSF database of varied parameters, $\lambda,k$, is shown in Fig.3. In following experiments, we set $\lambda=0.2,\gamma=1.0e-4$, $k=10$ and $a=1$. With increasing layers, the number of hidden neurons are gradually reduced by $10$, _i.e.,_ $90,80,70,60$ if four layers. Method | Accuracy ---|--- CCA[14] | 0.698 KernelCCA[10] | 0.840 DeepCCA[3] | 0.599 FDA[4] | 0.814 CDFE[22] | 0.773 CSR[20] | 0.580 PLS[26] | 0.574 MvDA[15] | 0.867 DCAN-1 | 0.830 DCAN-2 | 0.877 DCAN-3 | 0.884 DCAN-4 | 0.879 Table 1: Evaluation on Multi-PIE database in terms of mean accuracy. DCAN-k means a stacked k-layer network. | $-45^{\circ}$ | $-30^{\circ}$ | $-15^{\circ}$ | $0^{\circ}$ | $15^{\circ}$ | $30^{\circ}$ | $45^{\circ}$ ---|---|---|---|---|---|---|--- $-45^{\circ}$ | 1.000 | 0.816 | 0.588 | 0.473 | 0.473 | 0.515 | 0.511 $-30^{\circ}$ | 0.816 | 1.000 | 0.858 | 0.611 | 0.664 | 0.553 | 0.553 $-15^{\circ}$ | 0.588 | 0.858 | 1.000 | 0.894 | 0.807 | 0.602 | 0.447 $0^{\circ}$ | 0.473 | 0.611 | 0.894 | 1.000 | 0.909 | 0.604 | 0.484 $15^{\circ}$ | 0.473 | 0.664 | 0.807 | 0.909 | 1.000 | 0.874 | 0.602 $30^{\circ}$ | 0.515 | 0.553 | 0.602 | 0.604 | 0.874 | 1.000 | 0.768 $45^{\circ}$ | 0.511 | 0.553 | 0.447 | 0.484 | 0.602 | 0.768 | 1.000 (a) CCA, $Ave=0.698$ | $-45^{\circ}$ | $-30^{\circ}$ | $-15^{\circ}$ | $0^{\circ}$ | $15^{\circ}$ | $30^{\circ}$ | $45^{\circ}$ ---|---|---|---|---|---|---|--- $-45^{\circ}$ | 1.000 | 0.878 | 0.810 | 0.756 | 0.706 | 0.726 | 0.737 $-30^{\circ}$ | 0.878 | 1.000 | 0.892 | 0.858 | 0.808 | 0.801 | 0.757 $-15^{\circ}$ | 0.810 | 0.892 | 1.000 | 0.911 | 0.880 | 0.861 | 0.765 $0^{\circ}$ | 0.756 | 0.858 | 0.911 | 1.000 | 0.938 | 0.759 | 0.759 $15^{\circ}$ | 0.706 | 0.808 | 0.880 | 0.938 | 1.000 | 0.922 | 0.845 $30^{\circ}$ | 0.726 | 0.801 | 0.861 | 0.759 | 0.922 | 1.000 | 0.912 $45^{\circ}$ | 0.737 | 0.757 | 0.765 | 0.759 | 0.845 | 0.912 | 1.000 (b) KernelCCA, $Ave=0.840$ | $-45^{\circ}$ | $-30^{\circ}$ | $-15^{\circ}$ | $0^{\circ}$ | $15^{\circ}$ | $30^{\circ}$ | $45^{\circ}$ ---|---|---|---|---|---|---|--- $-45^{\circ}$ | 1.000 | 0.854 | 0.598 | 0.425 | 0.473 | 0.522 | 0.523 $-30^{\circ}$ | 0.854 | 1.000 | 0.844 | 0.578 | 0.676 | 0.576 | 0.566 $-15^{\circ}$ | 0.598 | 0.844 | 1.000 | 0.806 | 0.807 | 0.602 | 0.424 $0^{\circ}$ | 0.425 | 0.578 | 0.806 | 1.000 | 0.911 | 0.599 | 0.444 $15^{\circ}$ | 0.473 | 0.676 | 0.807 | 0.911 | 1.000 | 0.866 | 0.624 $30^{\circ}$ | 0.522 | 0.576 | 0.602 | 0.599 | 0.866 | 1.000 | 0.756 $45^{\circ}$ | 0.523 | 0.566 | 0.424 | 0.444 | 0.624 | 0.756 | 1.000 (c) DeepCCA, $Ave=0.599$ | $-45^{\circ}$ | $-30^{\circ}$ | $-15^{\circ}$ | $0^{\circ}$ | $15^{\circ}$ | $30^{\circ}$ | $45^{\circ}$ ---|---|---|---|---|---|---|--- $-45^{\circ}$ | 1.000 | 0.847 | 0.754 | 0.686 | 0.573 | 0.610 | 0.664 $-30^{\circ}$ | 0.847 | 1.000 | 0.911 | 0.847 | 0.807 | 0.766 | 0.635 $-15^{\circ}$ | 0.754 | 0.911 | 1.000 | 0.925 | 0.896 | 0.821 | 0.602 $0^{\circ}$ | 0.686 | 0.847 | 0.925 | 1.000 | 0.964 | 0.872 | 0.684 $15^{\circ}$ | 0.573 | 0.807 | 0.896 | 0.964 | 1.000 | 0.929 | 0.768 $30^{\circ}$ | 0.610 | 0.766 | 0.821 | 0.872 | 0.929 | 1.000 | 0.878 $45^{\circ}$ | 0.664 | 0.635 | 0.602 | 0.684 | 0.768 | 0.878 | 1.000 (d) FDA, $Ave=0.814$ | $-45^{\circ}$ | $-30^{\circ}$ | $-15^{\circ}$ | $0^{\circ}$ | $15^{\circ}$ | $30^{\circ}$ | $45^{\circ}$ ---|---|---|---|---|---|---|--- $-45^{\circ}$ | 1.000 | 0.854 | 0.714 | 0.595 | 0.557 | 0.633 | 0.608 $-30^{\circ}$ | 0.854 | 1.000 | 0.867 | 0.746 | 0.688 | 0.697 | 0.606 $-15^{\circ}$ | 0.714 | 0.867 | 1.000 | 0.887 | 0.808 | 0.704 | 0.579 $0^{\circ}$ | 0.595 | 0.746 | 0.887 | 1.000 | 0.916 | 0.819 | 0.651 $15^{\circ}$ | 0.557 | 0.688 | 0.808 | 0.916 | 1.000 | 0.912 | 0.754 $30^{\circ}$ | 0.633 | 0.697 | 0.704 | 0.819 | 0.912 | 1.000 | 0.850 $45^{\circ}$ | 0.608 | 0.606 | 0.579 | 0.651 | 0.754 | 0.850 | 1.000 (e) CDFE, $Ave=0.773$ | $-45^{\circ}$ | $-30^{\circ}$ | $-15^{\circ}$ | $0^{\circ}$ | $15^{\circ}$ | $30^{\circ}$ | $45^{\circ}$ ---|---|---|---|---|---|---|--- $-45^{\circ}$ | 1.000 | 0.914 | 0.854 | 0.763 | 0.710 | 0.770 | 0.759 $-30^{\circ}$ | 0.914 | 1.000 | 0.947 | 0.858 | 0.812 | 0.861 | 0.766 $-15^{\circ}$ | 0.854 | 0.947 | 1.000 | 0.923 | 0.880 | 0.894 | 0.775 $0^{\circ}$ | 0.763 | 0.858 | 0.923 | 1.000 | 0.938 | 0.900 | 0.750 $15^{\circ}$ | 0.710 | 0.812 | 0.880 | 0.938 | 1.000 | 0.923 | 0.807 $30^{\circ}$ | 0.770 | 0.861 | 0.894 | 0.900 | 0.923 | 1.000 | 0.934 $45^{\circ}$ | 0.759 | 0.766 | 0.775 | 0.750 | 0.807 | 0.934 | 1.000 (f) MvDA, $Ave=0.867$ | $-45^{\circ}$ | $-30^{\circ}$ | $-15^{\circ}$ | $0^{\circ}$ | $15^{\circ}$ | $30^{\circ}$ | $45^{\circ}$ ---|---|---|---|---|---|---|--- $-45^{\circ}$ | 1.000 | 0.872 | 0.819 | 0.730 | 0.655 | 0.708 | 0.686 $-30^{\circ}$ | 0.856 | 1.000 | 0.881 | 0.825 | 0.754 | 0.737 | 0.650 $-15^{\circ}$ | 0.807 | 0.874 | 1.000 | 0.869 | 0.865 | 0.781 | 0.681 $0^{\circ}$ | 0.757 | 0.854 | 0.896 | 1.000 | 0.938 | 0.858 | 0.790 $15^{\circ}$ | 0.688 | 0.777 | 0.854 | 0.916 | 1.000 | 0.900 | 0.823 $30^{\circ}$ | 0.708 | 0.735 | 0.788 | 0.834 | 0.918 | 1.000 | 0.916 $45^{\circ}$ | 0.719 | 0.715 | 0.697 | 0.752 | 0.832 | 0.909 | 1.000 (g) DCAN-1, $Ave=0.830$ | $-45^{\circ}$ | $-30^{\circ}$ | $-15^{\circ}$ | $0^{\circ}$ | $15^{\circ}$ | $30^{\circ}$ | $45^{\circ}$ ---|---|---|---|---|---|---|--- $-45^{\circ}$ | 1.000 | 0.905 | 0.876 | 0.783 | 0.714 | 0.779 | 0.796 $-30^{\circ}$ | 0.927 | 1.000 | 0.954 | 0.896 | 0.850 | 0.825 | 0.730 $-15^{\circ}$ | 0.867 | 0.929 | 1.000 | 0.905 | 0.905 | 0.867 | 0.757 $0^{\circ}$ | 0.832 | 0.876 | 0.925 | 1.000 | 0.958 | 0.896 | 0.808 $15^{\circ}$ | 0.765 | 0.865 | 0.907 | 0.951 | 1.000 | 0.929 | 0.874 $30^{\circ}$ | 0.779 | 0.832 | 0.870 | 0.916 | 0.945 | 1.000 | 0.949 $45^{\circ}$ | 0.794 | 0.777 | 0.785 | 0.812 | 0.876 | 0.938 | 1.000 (h) DCAN-3, $Ave=0.884$ Table 2: Results of CCA, FDA [4], CDFE [22], MvDA [15] and DCAN on MultiPIE dataset in terms of rank-1 recognition rate. DCAN-k means a stacked k-layer network. Due to space limitation, the results of other methods cannot be reported here, but their mean accuracies are shown in Table 1. ### 3.3 Face Recognition across Pose First, to explicitly illustrate the learnt mapping, we conduct an experiment on Multi-PIE dataset by projecting the learnt common features into a 2-D space with Principal Component Analysis (PCA). As shown in Fig.2. The classical method CCA can only roughly align the data in the principal directions and the state-of-the-art method MvDA [15] attempts to merge two types of data but seems to fail. Thus, we argue that linear transforms are a little stiff to convert data from two views into an ideal common space. The three diagrams below shows that DCAN can gradually separate samples from different classes with the increase of layers, which is just as we described in the above analysis. Figure 2: After learning common features by the cross-view methods, we project the features into 2-D space by using the principal two components in PCA. The depicted samples are randomly chosen form Multi-PIE [9] dataset. The “$\circ$” and “$+$” points come from two views respectively. Different color points belong to different classes. DCAN-k is our proposed method with a stacked k-layer neural network. Next, we compare our methods with several state-of-the-art methods for the cross-view face recognition task on Multi-PIE data set. Since the images are acquired over seven poses on Multi-PIE data set, in total $7\times 6=42$ comparison experiments need to be conducted. The detailed results are shown in Table 2,where two poses are used as the gallery and probe set to each other and the rank-1 recognition rate is reported. Further, the mean accuracy of all pairwise results for each methods is also reported in Table 1. From Table 1, we can find the supervised methods except CSR are significantly superior to CCA due to the use of the label information. And nonlinear methods except Deep CCA are significantly superior to the nonlinear methods due to the use of nonlinear transforms. Compared with FDA, the proposed DCAN with only one layer network can perform better with 1.6% improvement. With increasing layers, the accuracy of DCAN reaches a climax via stacking three layer networks. The reason of the degradation in DCAN with four layers is mainly the effect of reduced dimensionality, where 10 dimensions are cut out from the above layer network. Obviously, compared with two-view based methods, the proposed DCAN with three layers improves the performance greatly (88.4% vs. 81.4%). Besides, MvDA also achieves a considerably good performance by using all samples from all poses. It is unfair to compare these two-view based methods (containing DCAN) with MvDA, because the latter implicitly uses additional five views information except current compared two views. But our method performs better than MvDA, 88.4% vs. 86.7%. As observed in Table 2, three-layer DCAN achieves a largely improvement compared with CCA,FDA,CDFE for all cross-view cases and MvDA for most of cross-view cases. The results are shown in Table 2 and Table 1. ### 3.4 Photo-Sketch Recognition Method | Photo-Sketch | Sketch-Photo ---|---|--- CCA[14] | 0.387 | 0.475 KernelCCA[10] | 0.466 | 0.570 DeepCCA[3] | 0.364 | 0.434 CDFE[22] | 0.456 | 0.476 CSR[20] | 0.502 | 0.590 PLS[26] | 0.486 | 0.510 FDA[4] | 0.468 | 0.534 MvDA[15] | 0.534 | 0.555 DCAN-1 | 0.535 | 0.555 DCAN-2 | 0.603 | 0.613 DCAN-3 | 0.601 | 0.652 Table 3: Evluation on CUFSF database in terms of mean accuracy. DCAN-k means a stacked k-layer network. (a) (b) Figure 3: The performance with varied parameter values for our proposed DCAN. The sketch and photo images in CUFSF [34, 31] are respectively used for the gallery and probe set. (a) Varied $\lambda$ with fixed $k=10$. (b) Varied $k$ with fixed $\lambda=0.2$. Photo-Sketch recognition is conducted on CUFSF dataset. The samples come from only two views, photo and sketch. The comparison results are provided in Table 3. As shown in this table, since only two views can be utilized in this case, MvDA degrades to a comparable performance with those previous two-view based methods. Our proposed DCAN with three layer networks can achieve even better with more than 6% improvement, which further indicates DCAN benefits from the nonlinear and multi-layer structure. Discussion and analysis: The above experiments demonstrate that our methods can work very well even on a small sample size. The reasons lie in three folds: 1. (1) The maximum margin criterion makes the learnt mapping more discriminative, which is a straightforward strategy in the supervised classification task. 2. (2) Auto-encoder approximately preserves the local neighborhood structures. For this, Alain et al. [2] theoretically prove that the learnt representation by auto-encoder can recover local properties from the view of manifold. To further validate that, we employ the first 700 photo images from CUFSF database to perform the nonlinear self-reconstruction with auto-encoder. With the hidden presentations, we find the local neighbors with 1,2,3,4,5 neighbors can be preserved with the probability of 99.43%, 99.00%, 98.57%, 98.00% and 97.42% respectively. Thus, the use of auto-encoder intrinsically reduces the complexity of the discriminant model, which further makes the learnt model better generality on the testing set. 3. (3) The deep structure generates a gradual model, which makes the learnt transform more robust. With only one layer, the model can’t represent the complex data very well. But with layers goes deeper, the coupled networks can learn transforms much more flexible and hence can be allowed to handle more complex data. ## 4 Conclusion In this paper, we propose a deep learning method, the Deeply Coupled Auto- encoder Networks(DCAN), which can gradually generate a coupled discriminant common representation for cross-view object classification. In each layer we take both local consistency and discrimination of projected data into consideration. By stacking multiple such coupled network layers, DCAN can gradually improve the learnt shared features in the common space. Moreover, experiments in the cross-view classification tasks demonstrate the superior of our method over other state-of-the-art methods. ## References * [1] S. Akaho. A kernel method for canonical correlation analysis, 2006. * [2] G. Alain and Y. Bengio. What regularized auto-encoders learn from the data generating distribution. arXiv preprint arXiv:1211.4246, 2012. * [3] G. Andrew, R. Arora, J. 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arxiv-papers
2014-02-10T04:15:23
2024-09-04T02:49:57.991463
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Wen Wang, Zhen Cui, Hong Chang, Shiguang Shan, Xilin Chen", "submitter": "Hong Chang", "url": "https://arxiv.org/abs/1402.2031" }
1402.2073
# Mining Images in Biomedical Publications: Detection and Analysis of Gel Diagrams Tobias Kuhn 1 Mate Levente Nagy Tobias Kuhn – [email protected] 3 ThaiBinh Luong Mate Levente Nagy — [email protected] 2 and Michael Krauthammer2,3 ThaiBinh Luong – [email protected] Michael Krauthammer – [email protected] (1)Department of Humanities, Social and Political Sciences, ETH Zurich, Switzerland. (2)Department of Pathology, Yale University School of Medicine, New Haven, CT, USA. (3)Program for Computational Biology and Bioinformatics, Yale University, New Haven, CT, USA. ###### Abstract Authors of biomedical publications use gel images to report experimental results such as protein-protein interactions or protein expressions under different conditions. Gel images offer a concise way to communicate such findings, not all of which need to be explicitly discussed in the article text. This fact together with the abundance of gel images and their shared common patterns makes them prime candidates for automated image mining and parsing. We introduce an approach for the detection of gel images, and present a workflow to analyze them. We are able to detect gel segments and panels at high accuracy, and present preliminary results for the identification of gene names in these images. While we cannot provide a complete solution at this point, we present evidence that this kind of image mining is feasible. ## Introduction A recent trend in the area of literature mining is the inclusion of images in the form of figures from biomedical publications [1, 2, 3]. This development benefits from the fact that an increasing number of scientific articles are published as open access publications. This means that not just the abstracts but the complete texts including images are available for data analysis. Among other things, this enabled the development of query engines for biomedical images like the Yale Image Finder [4] and the BioText Search Engine [5]. Below, we present our approach to detect and access gel diagrams. This is an extended version of a previous workshop paper [6]. As a preparatory evaluation to decide which image type to focus on, we built a corpus of 3 000 figures that allows us to reliably estimate the numbers and types of images in biomedical articles. These figures were drawn randomly from the open access subset of PubMed Central and then manually annotated. They were split into subfigures when the figure consisted of several components. Figure 1 shows the resulting categories and subcategories. This classification scheme is based on five basic image categories: Experimental/Microscopy, Graph, Diagram, Clinical and Picture, each divided into multiple subcategories. It shows that bar graphs (12.4%), black-on-white gels (12.0%), fluorescence microscopy images (9.4%), and line graphs (8.1%) are the most frequent subfigure types (all percentages are relative to the entire set of images). Figure 1: Categorization of images from open access articles of PubMed Central. We targeted different kinds of graphs (i.e., diagrams with axes) in previous work [7], and we decided to focus this work on the second most common type of images: gel diagrams. They are the result of gel electrophoresis, which is a common method to analyze DNA, RNA and proteins. Southern, Western and Northern blotting [8, 9, 10] are among the most common applications of gel electrophoresis. The resulting experimental artifacts are often shown in biomedical publications in the form of gel images as evidence for the discussed findings such as protein-protein interactions or protein expressions under different conditions. Often, not all details of the results shown in these images are explicitly stated in the caption or the article text. For these reasons, it would be of high value to be able to reliably mine the relations encoded in these images. A closer look at gel images reveals that they follow regular patterns to encode their semantic relations. Figure 2 shows two typical examples of gel images together with a table representation of the involved relations. The ultimate objective of our approach (for which we can only present a partial solution here) is to automatically extract at least some of these relations from the respective images, possibly in conjunction with classical text mining techniques. The first example shows a Western blot for detecting two proteins (14-3-3$\sigma$ and $\beta$-actin as a control) in four different cell lines (MDA-MB-231, NHEM, C8161.9, and LOX, the first of which is used as a control). There are two rectangular gel segments arranged in a way to form a $2\times 4$ grid for the individual eight measurements combining each protein with each cell line. A gel diagram can be considered a kind of matrix with pictures of experimental artifacts as content. The tables to the right illustrate the semantic relations encoded in the gel diagrams. Each relation instance consists of a condition, a measurement and a result. The proteins are the entities being measured under the conditions of the different cell lines. The result is a certain degree of expression indicated by the darkness of the spots (or brightness in the case of white-on-black gels). The second example is a slightly more complex one. Several proteins are tested against each other in a way that involves more than two dimensions. In this case, the use of “+” and “–” labels is a frequent technique to denote the different possible combinations of a number of conditions. Apart from that, the principles are the same. In this case, however, the number of relations is much larger. Only the first eight of a total of 32 relation instances are shown in the table to the right. In such cases, the text rarely mentions all these relations in an explicit way, and the image is therefore the only accessible source. | --- | Condition | Measurement | Result ---|---|--- MDA-MB-231 | 14-3-3$\sigma$ | high expression NHEM | 14-3-3$\sigma$ | no expression C8161.9 | 14-3-3$\sigma$ | high expression LOX | 14-3-3$\sigma$ | low expression MDA-MB-231 | $\beta$-actin | high expression NHEM | $\beta$-actin | high expression C8161.9 | $\beta$-actin | high expression LOX | $\beta$-actin | high expression | --- | Condition | Measurement | Result ---|---|--- IL-1$\beta$ (–) | DEX (–) | RU486 (–) | p-p38 | low expression IL-1$\beta$ (+) | DEX (–) | RU486 (–) | p-p38 | high expression IL-1$\beta$ (–) | DEX (+) | RU486 (–) | p-p38 | no expression IL-1$\beta$ (+) | DEX (+) | RU486 (–) | p-p38 | low expression IL-1$\beta$ (–) | DEX (–) | RU486 (+) | p-p38 | no expression IL-1$\beta$ (+) | DEX (–) | RU486 (+) | p-p38 | high expression IL-1$\beta$ (–) | DEX (+) | RU486 (+) | p-p38 | low expression IL-1$\beta$ (+) | DEX (+) | RU486 (+) | p-p38 | high expression … | | | … | … Figure 2: Two examples of gel images from biomedical publications (PMID 19473536 and 15125785) with tables showing the relations that could be extracted from them ## Background In principle, image mining involves the same processes as classical literature mining [11]: document categorization, named entity tagging, fact extraction, and collection-wide analysis. However, there are some subtle differences. Document categorization corresponds to image categorization, which is different in the sense that it has to deal with features based on the two- dimensional space of pixels, but otherwise the same principles of automatic categorization apply. Named entity tagging is different in two ways: pinpointing the mention of an entity is more difficult with images (a large number of pixels versus a couple of characters), and OCR errors have to be considered. Fact extraction in classical literature mining involves the analysis of the syntactic structure of the sentences. In images, in contrast, there are rarely complete sentences, but the semantics is rather encoded by graphical means. Thus, instead of parsing sentences, one has to analyze graphical elements and their relation to each other. The last process, collection-wide analysis, is a higher-level problem, and therefore no fundamental differences can be expected. Thus, image mining builds upon the same general stages as classical text mining, but with some subtle yet important differences. Image mining on biomedical publications is not a new idea. It has been applied for the extraction of subcellular location information [12], the detection of panels of fluorescence microscopy images [13], the extraction of pathway information from diagrams [14], and the detection of axis diagrams [7]. Also, there is a large amount of existing work on how to process gel images [15, 16, 17, 18, 19] and databases have been proposed to store the results of gel analyses [20]. These techniques, however, take as input plain gel images, which are not readily accessible from biomedical papers, because they make up just parts of the figures. Furthermore, these tools are designed for researchers who want to analyze their gel images and not to read gel diagrams that have already been analyzed and annotated by a researcher. Therefore, these approaches do not tackle the problem of recognizing and analyzing the labels of gel images. Some attempts to classify biomedical images include gel figures [21], which is, however, just the first step in locating them and analyzing their labels and their structure. To our knowledge, nobody has yet tried to perform image mining on gel diagrams. ## Approach and Methods Figure 3 shows the procedure of our approach to image mining from gel diagrams. It consists of seven steps: figure extraction, segmentation, text recognition, gel detection, gel panel detection, named entity recognition and relation extraction.111Due to the fact that many figures consist of multiple panels of different types, we go straight to gel segment detection without first classifying entire images. Most gel panels share their figure with other panels, which makes automated classification difficult at the image level. Figure 3: The procedure of our approach: (1) figure extraction, (2) segmentation, (3) text recognition, (4) gel detection, (5) gel panel detection, (6) named entity recognition, and (7) relation extraction. Using structured article representations, the first step is trivial. For steps two and three, we rely on existing work. The main focus of this paper lies on steps four and five: the detection of gels and gel panels. In the discussion section, we present some preliminary results on step six of recognizing named entities, and sketch how step seven could be implemented, for which we cannot provide a concrete solution at this point. To practically evaluate our approach, we ran our pipeline on the entire open access subset of PubMed Central (though not all figures made it through the whole pipeline due to technical difficulties). ### Figure Extraction A large portion of the articles of the open access subset of the PubMed Central database are available as structured XML files with additional image files for the figures. We only use these articles so far, which makes the figure extraction task very easy. It would be more difficult, though definitely feasible, to extract the figures from PDF files or even bitmaps of scanned articles (see [22] and http://pdfjailbreak.com for approaches on extracting the structure of articles in PDF format). ### Segmentation and Text Recognition For the next two steps — segment detection and subsequent text recognition —, we rely on our previous work [23, 24]. This method includes the detection of layout elements, edge detection, and text recognition with a novel pivoting approach. For optical character recognition (OCR), the Microsoft Document Imaging package is used, which is available as part of Microsoft Office 2003. Overall, this approach has been shown to perform better than other existing approaches for the images found in biomedical publications [23]. We do not go into the details here, as this paper focuses on the subsequent steps. Due to some limitations of the segmentation algorithm when it comes to rectangles with low internal contrast (like gels), we applied a complementary very simple rectangle detection algorithm. ### Gel Segment Detection Based on the results of the above-mentioned steps, we try to identify gel segments. Such gel segments typically have rectangular shapes with darker spots on a light gray background, or — less commonly — white spots on a dark background. We decided to use machine learning techniques to generate classifiers to detect such gel segments. To do so, we defined 39 numerical features for image segments: the coordinates of the relative position (within the image), the relative and absolute width and height, 16 grayscale histogram features, three color features (for red, green and blue), 13 texture features (coarseness, presence of ripples, etc.) based on [25], and the number of recognized characters. To train the classifiers, we took a random sample of 500 figures, for which we manually annotated the gel segments. In the same way, we obtained a second sample of another 500 figures for testing the classifiers.222We double-checked these manual annotations to check their quality, which revealed only four misclassified segments in total for the training and test samples (0.016% of all segments). We used the Weka toolkit and opted for random forest classifiers based on 75 random trees. Using different thresholds to adjust the trade-off between precision and recall, we generated a classifier with good precision and another one with good recall. Both of them are used in the next step. We tried other types of classifiers including naive Bayes, Bayesian networks [26], PART decision lists [27], and convolutional networks [28], but we achieved the best results with random forests. ### Gel Panel Detection A gel panel typically consists of several gel segments and comes with labels describing the involved genes, proteins, and conditions. For our goal, it is not sufficient to just detect the figures that contain gel panels, but we also have to extract their positions within the figures and to access their labels. This is not a simple classification task, and therefore machine learning techniques do not apply that easily. For that reason, we used a detection procedure based on hand-coded rules. In a first step, we group gel segments to find contiguous gel regions that form the center part of gel panels. To do so, we start with looking for segments that our high-precision classifier detects as gel segments. Then, we repeatedly look for adjacent gel segments, this time applying the high-recall classifier, and merge them. Two segments are considered neighbors if they are at most 50 pixels apart333We are using absolute distance values at this point. A more refined algorithm could apply some sort of relative measure. However, the resolution of the images does not vary that much, which is why absolute values worked out well so far. and do not have any text segment between them. Thus, segments which could be gel segments according to the high-recall classifier make it into a gel panel only if there is at least one high- precision segment in their group. The goal is to detect panels with high precision, but also to detect the complete panels and not just parts of them. We focus here on precision because low recall can be leveraged by the large number of available gel images. Furthermore, as the open access part of PubMed Central only makes up a small subset of all biomedical publications, recall in a more general sense is anyway limited by the proportion of open access publications. As a next step, we collect the labels in the form of text segments located around the detected gel regions. For a text segment to be attributed to a certain gel panel, its nearest edge must be at most 30 pixels away from the border of the gel region and its farthest edge must not be more than 150 pixels away. We end up with a representation of a gel panel consisting of two parts: a center region containing a number of gel segments and a set of labels in the form of text segments located around the center region. To evaluate this algorithm, we collected yet another sample of 500 figures, in which 106 gel panels in 61 different figures were revealed by manual annotation.444Again, these manual annotations were double-checked to ensure their quality. Five errors were found and fixed in this process. Based on this sample, we manually checked whether our algorithm is able to detect the presence and the (approximate) position of the gel panels. ## Results The top part of Table 1 shows the result of the gel detection classifier. We generated three different classifiers from the training data, one for each of the threshold values 0.15, 0.3 and 0.6. Lower threshold values lead to higher recall at the cost of precision, and vice versa. In the balanced case, we achieved an F-score of 75%. To get classifiers with precision or recall over 90%, F-score goes down significantly, but stays in a sensible range. These two classifiers (thresholds 0.15 and 0.6) are used in the next step. To interpret these values, one has to consider that gel segments are greatly outnumbered by non-gel segments. Concretely, only about 3% are gel segments. More sophisticated accuracy measures for classifier performance, such as the area under the ROC curve [29], take this into account. For the presented classifiers, the area under the ROC curve is 98.0% (on a scale from 50% for a trivial, worthless classifier to 100% for a perfect one). | Method | Threshold | Precision | Recall | F-score | ROC area ---|---|---|---|---|---|--- Segments | Random forests | 0.15 | 0.439 | 0.909 | 0.592 | $\left.\begin{matrix}~{}\\\ ~{}\\\ \end{matrix}\right\\}$ 0.980 0.30 | 0.765 | 0.739 | 0.752 0.60 | 0.926 | 0.301 | 0.455 Naive Bayes | | 0.172 | 0.739 | 0.279 | 0.883 Bayesian network | | 0.394 | 0.531 | 0.452 | 0.914 PART decision list | | 0.631 | 0.496 | 0.555 | 0.777 Convolutional networks | | 0.142 | 0.949 | 0.248 | Panels | Hand-coded rules | | 0.951 | 0.368 | 0.530 | Table 1: The results of the gel segment detection classifiers (top) and the gel panel detection algorithm (bottom) The results of the gel panel detection algorithm are shown in the bottom part of Table 1. The precision is 95% at a recall of 37%, leading to an F-score of 53%. The comparatively low recall is mainly due to the general problem of pipeline-based approaches that the various errors from the earlier steps accumulate and are hard to correct at a later stage in the pipeline. Table 2 shows the results of running the pipeline on PubMed Central. We started with about 410 000 articles, the entire open access subset of PubMed Central at the time we downloaded them (February 2012). We successfully parsed the XML files of 94% of these articles (for the remaining articles, the XML file was missing or not well-formed, or other unexpected errors occurred). The successful articles contained around 1 100 000 figures, for some of which our segment detection step encountered image formatting errors or other internal errors, or was just not able to detect any segments. We ended up with more than 880 000 figures, in which we detected about 86 000 gel panels, i.e. roughly ten out of 100 figures. For each of them, we found on average 3.6 labels with recognized text. After tokenization, we identified about 76 000 gene names in these gel labels, which corresponds to 6.8% of the tokens. Considering all text segments (including but not restricted to gel labels), only 3.3% of the tokens are detected as gene names.555The low numbers are partially due to the fact that a considerable part of the tokens are “junk tokens” produced by the OCR step when trying to recognize characters in segments that do not contain text. Total articles | 410 950 ---|--- Processed articles | 386 428 Total figures from processed articles | 1 110 643 Processed figures | 884 152 Detected gel panels | 85 942 Detected gel panels per figure | 0.097 Detected gel labels | 309 340 Detected gel labels per panel | 3.599 Detected gene tokens | 1 854 609 Detected gene tokens in gel labels | 75 610 Gene token ratio | 0.033 Gene token ratio in gel labels | 0.068 Table 2: The results of running the pipeline on the open access subset of PubMed Central ## Discussion The presented results show that we are able to detect gel segments with high accuracy, which allows us to subsequently detect whole gel panels at a high precision. The recall of the panel detection step is relatively low, but with about 37% still in a reasonable range. As mentioned above, we can leverage the high number of available figures, which makes precision more important than recall. Running our pipeline on the whole set of open access articles from PubMed Central, we were able to retrieve 85 942 potential gel panels (around 95% of which we can expect to be correctly detected). The next step would be to recognize the named entities mentioned in the gel labels. To this aim, we did a preliminary study to investigate whether we are able to extract the names of genes and proteins from gel diagrams. To do so, we tokenized the label texts and looked for entries in the Entrez Gene database to match the tokens. This look-up was done in a case-sensitive way, because many names in gel labels are acronyms, where the specific capitalization pattern can be critical to identify the respective entity. We excluded tokens that have less than three characters, are numbers (Arabic or Latin), or correspond to common short words (retrieved from a list of the 100 most frequent words in biomedical articles). In addition, we extended this exclusion list with 22 general words that are frequently used in the context of gel diagrams, some of which coincide with gene names according to Entrez.666These words are: _min_ , _hrs_ , _line_ , _type_ , _protein_ , _DNA_ , _RNA_ , _mRNA_ , _membrane_ , _gel_ , _fold_ , _fragment_ , _antigen_ , _enzyme_ , _kinase_ , _cleavage_ , _factor_ , _blot_ , _pro_ , _pre_ , _peptide_ , and _cell_. Since gel electrophoresis is a method to analyze genes and proteins, we would expect to find more such mentions in gel labels than in other text segments of a figure. By measuring this, we get an idea of whether the approach works out or not. In addition, we manually checked the gene and protein names extracted from gel labels after running our pipeline on 2 000 random figures. In 124 of these figures, at least one gel panel was detected. Table 3 shows the results of this preliminary evaluation. Almost two-thirds of the detected gene/protein tokens (65.3%) were correctly identified. 9% thereof were correct but could be more specific, e.g. when only “actin” was recognized for “$\beta$-actin” (which is not incorrect but of course much harder to map to a meaningful identifier). The incorrect cases (34.6%) can be split into two classes of roughly the same size: some recognized tokens were actually not mentioned in the figure but emerged from OCR errors; other tokens were correctly recognized but incorrectly classified as gene or protein references. | absolute | relative ---|---|--- Total | 156 | 100.0% Incorrect | 54 | 34.6% – Not mentioned (OCR errors) | 28 | 17.9% – Not references to genes or proteins | 26 | 16.7% Correct | 102 | 65.3% – Partially correct (could be more specific) | 14 | 9.0% – Fully correct | 88 | 56.4% Table 3: Numbers of recognized gene/protein tokens in 2 000 random figures Although there is certainly much room for improvement, this simple gene detection step seems to perform reasonably well. For the last step, relation extraction, we cannot present any concrete results at this point. After recognizing the named entities, we would have to disambiguate them, identify their semantic roles (condition, measurement or something else), align the gel images with the labels, and ultimately quantify the degree of expression. To improve the quality of the results, combinations with classical text mining techniques should be considered. This is all future work. We expect to be able to profit to a large extent from existing work to disambiguate protein and gene names [30, 31] and to detect and analyze gel spots (see the existing work mentioned above). It seems reasonable to assume that these results can be combined with existing techniques of term disambiguation and gel spot detection at a satisfactory level of accuracy. We plan to investigate this in future work. As mentioned above, we have started to investigate how the gel segment detection step could be improved by the use of the image recognition technique of convolutional networks (ConvNet) [28]. We started with a simplified approach to the one presented in [32]. In this approach, images are tiled into small quadratic pieces. We used a single network (and not several parallel networks), based on $48\times 48$ input tile images with three layers of convolutions. The first layer takes eight $5\times 5$ convolutions and is followed by a $2\times 2$ sub-sampling. The second layer takes twenty four $5\times 5$ convolutions and is followed by a $3\times 3$ sub-sampling. The last layer takes seventy two $6\times 6$ convolutions, which leads to a fully connected layer. We trained our ConvNet on the 500 images of the training set, where we manually annotated the tiles as _gel_ and _non-gel_. With the use of EBLearn [33], this trained ConvNet classified the tiles of the 500 images of our testing set. The classified tiles can then be reconstructed into a mask image, as shown in Figure 4. A manual check of the clusters of recognized gel tiles led to the results shown in Table 1. Recall is very good (95%) but precision is very poor (14%), leading to an F-score of 25%. This is much worse than the results we got with our random forest approach, which is why ConvNet is currently not part of our pipeline. We hope, however, that we can further optimize this ConvNet approach and combine it with random forests to exploit their (hopefully) complementary benefits. Using ConvNet to classify complete images as _gel-image_ or _non-gel-image_ and adjusting the classification to account for unbalanced classes, we were able to obtain an F-score of 74%, which makes us confident that a combination of the two approaches could lead to a significant improvement of our gel segment detection step. As an alternative approach, we will try to run ConvNet on down-scaled entire panels rather than small tiles, as described in [34]. Furthermore, we will experiment with parallel networks instead of single ones to improve accuracy. Figure 4: Original and mask image after ConvNet classification for an exemplary image from PMID 14993249. Green means _gel_ ; brown means _other_ ; and white means _not enough gradient information_. The results obtained from our gel recognition pipeline indicate that it is feasible to extract relations from gel images, but it is clear that this procedure is far from perfect. The automatic analysis of bitmap images seems to be the only efficient way to extract such relations from existing publications, but other publishing techniques should be considered for the future. The use of vector graphics instead of bitmaps would already greatly improve any subsequent attempts of automatic analysis. A further improvement would be to establish accepted standards for different types of biomedical diagrams in the spirit of the Unified Modeling Language, a graphical language widely applied in software engineering since the 1990s. Ideally, the resulting images could directly include semantic relations in a formal notation, which would make relation mining a trivial procedure. If authors are supported by good tools to draw diagrams like gel images, this approach could turn out to be feasible even in the near future. Concretely, we would like to take the opportunity to postulate the following actions, which we think should be carried out to make the content of images in biomedical articles more accessible: * • Stop pressing diagrams into bitmaps! Unless the image only consists of one single photograph, screenshot, or another kind of picture that only has bitmap representation, vector graphics should be used for article figures. * • Let data and metadata travel from the tools that generate diagrams to the final articles! Whenever the specific tool that is used to generate the diagram “knows” that a certain graphical element refers to an organism, a gene, an interaction, a point in time, or another kind of entity, then this information should be stored in the image file, passed on, and finally published with the article. * • Use RDF vocabularies to embed semantic annotations in diagrams! Tools for creating scientific diagrams should use RDF notation and stick to existing standardized schemas (or define new ones if required) to annotate the diagram files they create. * • Define standards for scientific diagrams! In the spirit of the Unified Modeling Language, the biomedical community should come up with standards that define the appearance and meaning of different types of diagrams. Obviously, different groups of people need to be involved in these actions, namely article authors, journal editors, and tool developers. It is relatively inexpensive to follow these postulates (though it might require some time), which in turn would greatly improve data sharing, image mining, and scientific communication in general. Standardized diagrams could be the long sought solution to the problem of how to let authors publish computer-processable formal representations for (part of) their results. This can build upon the efforts of establishing an open annotation model [35, 36]. ## Conclusions Successful image mining from gel diagrams in biomedical publications would unlock a large amount of valuable data. Our results show that gel panels and their labels can be detected with high accuracy, applying machine learning techniques and hand-coded rules. We also showed that genes and proteins can be detected in the gel labels with satisfactory precision. Based on these results, we believe that this kind of image mining is a promising and viable approach to provide more powerful query interfaces for researchers, to gather relations such as protein-protein interactions, and to generally complement existing text mining approaches. At the same time, we believe that an effort towards standardization of scientific diagrams such as gel images would greatly improve the efficiency and precision of image mining at relatively low additional costs at the time of publication. ## Competing Interests The authors declare that they have no competing interests. ## Authors’ Contributions TK was the main author and main contributor of the presented work. He was responsible for designing and implementing the pipeline, gathering the data, performing the evaluation, and analyzing the results. MLN applied, trained, and evaluated the ConvNet classifier, and contributed to the annotation of the test sets. TL built and analyzed the corpus for the preparatory evaluation. MK contributed to the conception and the design of the approach and to the analysis of the results. All authors have been involved in drafting or revising the manuscript, and all authors read and approved the final manuscript. ## Acknowledgments This study has been supported by the National Library of Medicine grant 5R01LM009956. ## References * [1] Yu H, Lee M: Accessing bioscience images from abstract sentences. _Bioinformatics_ 2006, 22(14):e547–e556. * [2] Zweigenbaum P, Demner-Fushman D, Yu H, Cohen KB: Frontiers of biomedical text mining: current progress. _Briefings in Bioinformatics_ 2007, 8(5):358–375. * [3] Peng H: Bioimage informatics: a new area of engineering biology. _Bioinformatics_ 2008, 24(17):1827–1836, [http://dx.doi.org/10.1093/bioinformatics/btn346]. * [4] Xu S, McCusker J, Krauthammer M: Yale Image Finder (YIF): a new search engine for retrieving biomedical images. _Bioinformatics_ 2008, 24(17):1968–1970, [http://dx.doi.org/10.1093/bioinformatics/btn340]. * [5] Hearst MA, Divoli A, Guturu H, Ksikes A, Nakov P, Wooldridge MA, Ye J: BioText Search Engine. _Bioinformatics_ 2007, 23(16):2196–2197, [http://dx.doi.org/10.1093/bioinformatics/btm301]. * [6] Kuhn T, Krauthammer M: Image Mining from Gel Diagrams in Biomedical Publications. 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In _Proceedings of the Biomedical Science and Engineering Center Conference (BSEC 2013)_ , IEEE (New York City, NY, USA) 2013. * [33] Sermanet P, Kavukcuoglu K, LeCun Y: EBlearn: Open-source energy-based learning in C++. In _Proceedings of the 21st International Conference on Tools with Artificial Intelligence (ICTAI’09)_ , IEEE (New York City, NY, USA) 2009:693–697. * [34] Krizhevsky A, Sutskever I, Hinton G: ImageNet classification with deep convolutional neural networks. _Advances in Neural Information Processing Systems_ 2012, 25:1106–1114. * [35] Ciccarese P, Ocana M, Garcia Castro LJ, Das S, Clark T: An open annotation ontology for science on web 3.0. _J Biomed Semantics_ 2011, 2(Suppl 2):S4. * [36] Sanderson R, Ciccarese P, Van de Sompel H: Open Annotation Data Model. Community draft, W3C 2013, [http://www.openannotation.org/spec/core/20130208/index.html].
arxiv-papers
2014-02-10T09:16:13
2024-09-04T02:49:58.006800
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Tobias Kuhn, Mate Levente Nagy, ThaiBinh Luong, Michael Krauthammer", "submitter": "Tobias Kuhn", "url": "https://arxiv.org/abs/1402.2073" }
1402.2185
# Relativity, the Special Theory, explained to Children (from 7 to 107 years old) Charles-Michel Marle Institut de Mathématiques de Jussieu Université Pierre et Marie Curie Paris, France (15 July 2005) ###### Abstract The author thinks that the main ideas or Relativity Theory can be explained to children (around the age of 15 or 16) without complicated calculations, by using very simple arguments of affine geometry. The proposed approach is presented as a conversation between the author and one of his grand-children. Limited here to the Special Theory, it will be extended to the General Theory elsewhere, as sketched in conclusion. For Agathe, Florent, Basile, Mathis, Gabrielle, Morgane, Quitterie and my future other grand-children ## 1 Prologue Maybe one day, one of my grand-children, at the age of 15 or 16, will ask me: — Grand-father, could you explain what is Relativity Theory? My Physics teacher lectured about it, talking of rolling trains and of lightnings hitting the railroad, and I understood almost nothing! This is the discussion I would like to have with her (or him). — Do you know the theorem: the diagonals of a parallelogram meet at their middle point? — Yes, I do! I even know that the converse is true: if the diagonals of a plane quadrilateral meet at their middle point, that quadrilateral is a parallelogram. And I believe that I know a proof! — Good! You know all the stuff needed to understand the basic idea of Relativity theory! However, we must first think about Time and Space. — Time and space seem to me very intuitive, and yet difficult to understand in deep! — Many people feel the same. The true nature of Time and Space is mysterious. Let us say that together, Time and Space make the frame in which all physical phenomena take place, in which all material objects evolve, including our bodies. We should keep a modest mind profile on such a subject. We cannot hope to understand all the mysteries of Time and Space. We should only try to understand some of their properties and to use them to describe physical phenomena. We should be ready to change the way we think about Time and Space, if some experimental evidence shows that we were wrong. — But if we do not know what are Time and Space, how can we hope to understand some of their properties, and to be able to use them? — By building mental pictures of Time and Space. Unfortunately we, poor limited human beings, cannot do better: we know the surrounding world only through our senses (enhanced by the measurement and observation instruments we have built) and our ability of reasoning. Our reasoning always apply to the mental pictures we have built of reality, not to reality itself. Let me now indicate how the mental pictures of Time and Space used by scientists have evolved, mainly from Newton to Einstein. ## 2 Newton’s and Leibniz’s views about Time and Space ### 2.1 Newtonian Time The great scientist Isaac Newton [2] (1642–1727) used, as mental picture of Time, a straight line $\cal T$, going to infinity on both sides, hence without beginning nor end, with no privileged origin. Each particular time, for example “now”, or ”three days ago at the sunset at Paris”, corresponds to a particular element of that straight line. Observe that Newton considered, without any discussion, that for each event happening in the universe, there was a corresponding well defined time (element of the straight line $\cal T$), the time at which that event happens. — Where is that straight line $\cal T$? Is it drawn in some plane or in space? — Nowhere! You should not think about the straight line of Time $\cal T$ as drawn in something of larger dimension. Newton considered Time as an abstract straight line, because successive events are linearly ordered, like points on a straight line. Don’t forget that $\cal T$ is a mental picture of Time, not Time itself! However, that mental picture is much more than a confuse idea: it has very well defined mathematical properties. In modern language, we say that $\cal T$ is endowed with an _affine structure_ and with an _orientation_. — What is an affine structure? and what is its use? — An affine structure allows us to compare two time intervals and to take their ratio, for example to say that one of these intervals is two times the other one. Newton considered the comparison of two time intervals as possible, even when they were many centuries or millenaries apart, and to take their ratio. In modern mathematical language, that property determines an _affine structure_. For the mathematician, that property means that we can apply transforms to $\cal T$ by sliding it along itself, without contraction nor dilation, and that these transforms (called _translations_) do not change its properties. For the physicist, it means that the physical laws remain the same at all times. Another important property of Time: it always flows from past to future. To take it into account, we endow $\cal T$ with an _orientation_ ; it means that we consider the two directions (from past to future and from future to past) as different, not equivalent, for example by choosing the direction from past to future as preferred. We then say that $\cal T$ is _oriented_. ### 2.2 Newton’s absolute space — OK, I roughly agree with that mental picture, although it does not account for the main property of Time: it flows continuously and we cannot stop it! And what about Space? — Newton identified Space with the three dimensional space of geometers, denoted by $\cal E$ : the space in which there are various figures made of planes, straight lines, spheres, polyhedra, which obey the theorems developed in Euclidean geometry: Thales and Pythagoras theorems, the theorem which says that the diagonals of a parallelogram meet at their middle point, $\ldots$ ### 2.3 The concept of Space-Time Newton used Time and Space to describe the motion of every object $A$ of the physical world as follows. That object occupies, at each time $t$ (element of $\cal T$) for which it exists, a position $A_{t}$ in Space $\cal E$. The motion of of $A$ is described by its successive positions $A_{t}$ when $t$ varies in $\cal T$. Let me introduce now a new concept, that of Space-Time [1], due to the German mathematician Hermann Minkowski (1864–1909). That concept was not used in Mechanics before the discovery of Special Relativity. That is very unfortunate, since its use makes much easier the understanding of the foundations of Classical Mechanics, as well as those of Relativistic Mechanics. Therefore I use it now, with the absolute Time and Space of Newton, although Newton himself did not use that concept. Newton Space-Time is simply the product set ${\cal E}\times{\cal T}$, whose elements are pairs (called _events_) $(x,t)$, made by a point $x$ of $\cal E$ and a time $t$ of $\cal T$. — What is the use of that Space-Time? — It is very convenient to describe motions. For example, the motion of a material particle $a$ (a very small object whose position, at each time $t\in{\cal T}$, is considered as a point $a_{t}\in{\cal E}$), is described by a line in ${\cal E}\times{\cal T}$, made by the events $(a_{t},t)$, for all $t$ in the interval of time during which $a$ exists. That line is called the _world line_ of $a$. You will see on Figure 1 (where, for simplicity, Space is represented as a straight line, as if it were one-dimensional) the world lines of three particles, $a$, $b$ and $c$. Figure 1: World lines in Newton Space-Time. * • The world line of $b$ est parallel to the Time axis $\cal T$: that particle is at rest, il occupies a fixed position in the absolute Space $\cal E$. * • The world line of $c$ is a slanting straight line. The trajectory of that particle in absolute Space $\cal E$ is a straight line and its velocity is constant. * • The world line of $a$ is a curve, not a straight line. It means that the velocity of $a$ changes with time. ### 2.4 Absolute rest and motion For Newton, _rest_ and _motion_ were absolute concepts: a physical object is at rest if its position in Space does not change with time; otherwise, it is in motion. — It seems very natural. Why should we change this view? — Because nothing is at rest in the Universe! The Earth rotates around its axis and around the Sun, which rotates around the center of our Galaxy. And there are billions of galaxies in the Universe, all moving with respect to the others! For these reasons, Newton’s concept of an absolute Space was criticized very early, notably by his contemporary, the great mathematician and philosopher Gottfried Wilhelm Leibniz (1647–1716). ### 2.5 Reference frames — But without knowing what is at rest in the Universe, how Newton managed to study the motions of the planets? — To study the motion of a body $A$, Newton, and after him almost all scientists up to now, used a _reference frame_. It means that he used another body $R$ which remained approximately rigid during the motion he wanted to study, and he made as if that body was at rest. Then he could study the _relative motion_ of $A$ with respect to $R$. Assuming that Newton’s absolute Space $\cal E$ exists, we recover the description of absolute motion of $A$ by choosing, for $R$, a body at rest in $\cal E$. The corresponding reference frame is called the _absolute fixed frame_. The body $R$ used to determine a reference frame can be, for example, * • the Earth (if we want to study the motion of a falling apple), * • the trihedron made by the straight lines which join the center of the Sun to three distant stars (if we want to study the motions of the planets in the solar system). ### 2.6 Galilean frames and Leibniz Space-Time All reference frames are not equivalent. A _Galilean frame_ 111 In memory of Galileo Galilei, (1564–1642), the founder of modern Physics., also called an _inertial frame_ , is a reference frame in which the _principe of inertia_ holds true. That principle, first formulated for absolute motions in Newton’s absolute space $\cal E$, says that the (absolute) motion of a free particle takes place on a straight line, at a constant speed. But, as shown by Newton himself, that principe remains true for the _relative motion_ of a free particle with respect to some particular reference frames, the _Galilean frames_. More exactly, let us assume that the principle of inertia holds true for the relative motion of free particles with respect to the reference frame defined by the rigid body $R_{1}$. What happens for the relative motion of these free particles with respect to another reference frame, defined by another rigid body $R_{2}$? It is easy to see that the principle of inertia still holds true _if and only if_ the relative motion of $R_{2}$ with respect to $R_{1}$ is a motion by translation at a constant speed. The absolute frame, if it exists, therefore appears as a Galilean frame among an infinite number of other Gallilean frames, that no measurement founded on mechanical properties can distinguish from the others. For this reason, several scientists, following Leibniz, doubted about its existence. Leibniz accepted Newton’s concept of an absolute Time, but not that of an absolute Space. His views were not successful during his life, probably because at that time nobody saw how to cast them in a mathematically rigorous setting. Now we can do that; let me explain how. We will consider that at each time $t\in{\cal T}$, there exists a _Space at time $t$_, denoted by ${\cal E}_{t}$, whose properties are those of the three- dimensional Euclidean space of geometers. We must consider that the Spaces ${\cal E}_{t_{1}}$ and ${\cal E}_{t_{2}}$, at two different times $t_{1}$ and $t_{2}$, $t_{1}\neq t_{2}$, have no common element. Leibniz Space-Time, which will be denoted by $\cal U$ (for Universe), is the disjoint union of all the Spaces ${\cal E}_{t}$ for all times $t\in{\cal T}$. So, according to Leibniz views, we still have a Space-Time, but no more an absolute space ! The next picture shows, * • on the left side, Newton Space-Time ${\cal E}\times{\cal T}$, with the two projections $p_{1}:{\cal E}\times{\cal T}\to{\cal E}$ and $p_{2}:{\cal E}\times{\cal T}\to{\cal T}$; * • on the right side, Leibniz Space-Time $\cal U$, endowed with only one natural projection onto absolute Time $\cal T$, still denoted by $p_{2}:{\cal U}\to{\cal T}$; the horizontal lines represent the Spaces ${\cal E}_{t}=p_{2}^{-1}(t)$, for various values of $t\in{\cal T}$. Figure 2: Newton and Leibniz Space-Time. — But how do you put together the Spaces at various times ${\cal E}_{t}$ to make Leibniz Space-Time $\cal U$? Are they stacked in an arbitrary way? — Of course no! Leibniz Space-Time $\cal U$ is a $4$-dimensional affine space, fibered (via an affine map) over Time $\cal T$, which is itself a $1$-dimensional affine space. Its fibres, the Spaces ${\cal E}_{t}$ at various times $t\in{\cal T}$, are $3$-dimensional Euclidean spaces. The affine structure of $\cal U$ is determined by the _principle of inertia_ of which we have already spoken. That principle can be formulated in a way which does not use reference frames, by saying: _The world line of any free particle is a straight line._ So formulated, the principle of inertia can be applied to Newton Space-Time ${\cal E}\times{\cal T}$ and to Leibniz Space-Time $\cal U$ as well. More, it _determines_ the affine structure of $\cal U$, since one can easily show that the affine structure for which it holds true, if any, is unique. A physical law, the _principle of inertia_ , is so embedded in the geometry of Leibniz Space-Time $\cal U$. By using a reference frame $R$, one can split Leibniz Space-Time into a product of two factors: a space ${\cal E}_{R}$, fixed with respect to that frame, and the absolute Time $\cal T$. But of course, the space ${\cal E}_{R}$ depends on the choice of the reference frame $R$. For that reason, it seems that before 1905, not many scientists were aware of the fact that by dropping Newton’s absolute Space $\cal E$, they already had completely changed the conceptual setting in which motions are described: * • according to Newton, absolute Space ${\cal E}$ and absolute Time ${\cal T}$ were directly related to reality, while Space-Time ${\cal E}\times{\cal T}$ was no more than a mathematical object, not very interesting (he did not use it) and not directly related to reality; * • but according to Leibniz’s views, when expressed as done above, it is Space- Time $\cal U$ which is directly related to reality, as well as absolute Time $\cal T$; absolute Space $\cal E$ no more exists. ## 3 Relativity Einstein [1] was led to drop Leibniz Space-Time when trying to reconcile the theories used in two different parts of Physics: Mechanics on one hand, Electromagnetism and Optics on the other hand. According to the theory built by the great Scotch physicist James Clerk Maxwell (1831–1879), electromagnetic phenomena propagate in vacuum as waves, with the same velocity in all directions, independently of the motion of the source of these phenomena. Maxwell soon understood that light was an elecromagnetic wave, and lots of experimental results confirmed his views. ### 3.1 The luminiferous ether, a short lived hypothesis In Leibniz Space-Time (as well as in Newton Space-Time) _relative velocities behave additively_. In that setting, it is with respect to _at most one particular reference frame_ that light can propagate with the same velocity in all directions. Physicists introduced a new hypothesis: electromagnetic waves were considered as vibrations of an hypothetic, very subtle, but highly rigid medium called the _luminiferous ether_ , everywhere present in space, even inside solid bodies. They thought that it was with respect to the ether’s reference frame that light propagates at the same velocity in all directions. This new hypothesis amounts to come back to Newton’s absolute Space identified with the ether. There were even physicists who introduced additional complications, by assuming that the ether, partially drawn by the motion of moving bodies, could deform with time! — But if the luminiferous ether really exists, accurate measurements of the velocity of light in all directions should allow the determination of the Earth’s relative velocity with respect to the ether! — Good remark! These measurements were made several times, notably by Albert Abraham Michelson (1852–1931) and Edward Williams Morley (1838–1923), between 1880 et 1887. No relative velocity of the Earth with respect to the luminiferous ether could be detected. These results remained not understood until 1905, despite many attempts. The most interesting of these attempts was that due to Hendrik Anton Lorentz (1853–1928) and George Francis FitzGerald (1851–1901). Independently, they proposed the following hypothesis: when a rigid body, for example a rule or the arm of an interferometer, is moving with respect to the luminiferous ether, that body contracts slightly in the direction of its relative displacement. — So that is the famous relativistic contraction my teacher spoke about! — No! Not at all! Lorentz and FitzGerald considered that contraction as a true physical effect of the relative motion of a body with respect to the ether. This assumption is now completely abandoned, together with the luminiferous ether! The relativistic contraction of lengths and dilation of times has nothing to do with it: rather than a real phenomenon, it is only an appearance, like the following effect of perspective. Imagine that you look at a 20 centimeters rule, from a distance of, say two meters from its center. That rule looks shorter when it is not perpendicular to the straight line which joins your eye to its center than when it is. It may even seem to be reduced to a point when it lies along that straight line. As we will soon see, the relativistic contraction of lengths and dilation of times has a similar origin. ### 3.2 Minkowski Space-Time Einstein was the first 222 The great French mathematician Jules Henri Poincaré (1854–1912) has, almost simultaneously and independently, presented very similar ideas [3], without explicitly recommending to drop the concept of an absolute Time. to understand (in 1905) that the results of Michelson and Morley experiments could be explained by a deep change of the properties ascribed to Space and Time. At that time, his idea appeared as truly revolutionary. But now it may appear as rather natural, if we think along the following lines: _When we dropped Newton Space-Time in favour of Leibniz Space-Time, we recognized that there is no absolute Space, but that Space depends on the choice of a reference frame. Maybe Time too is no more absolute than Space, and depends on the choice of a reference frame!_ — But if we drop absolute Time, which properties are left to our Space-Time? — In 1905, Einstein implicitly considered that Space-Time still was a $4$-dimensional affine space, which will be called _Minkowski Space-Time_ and will be denoted by $\cal M$. He implicitly considered too that _translations_ of $\cal M$ leave its properties unchanged, and he assumed that the _principe of inertia_ still holds true in $\cal M$ when expressed without the use of reference frames: _The world line of any free particle is a straight line._ He also kept the notion of a _Galilean frame_. In $\cal M$, a Galilean frame is determined by a direction of straight line (not any straight line, a _time- like_ straight line, as we will see below). Given a Galilean frame $R$, Minkowski Space-Time $\cal M$ can be split into a product ${\cal E}_{R}\times{\cal T}_{R}$ of a three-dimensional Space ${\cal E}_{R}$ and a one-dimensional Time ${\cal T}_{R}$, which both depend on $R$. Let me recall that in Leibniz Space-Time $\cal U$, a Galilean frame $R$ allowed us to split $\cal U$ into a product ${\cal E}_{R}\times{\cal T}$ of a three-dimensional Space ${\cal E}_{R}$, which depended on $R$, and the one-dimensional absolute Time $\cal T$, which did not depend on $R$. That is the main difference between Leibniz’s and Einstein’s views about Space and Time. Under these hypotheses, the properties of Space-Time follow from two principles: * • the _Principle of Relativity:_ all physical laws have the same expression in all Galilean frames; * • the _Principle of Constancy of the velocity of light:_ the modulus of the velocity of light is an universal constant, which depends neither on the Galilean frame with respect to which it is calculated, nor on the motion of the source of that light. — You said that a direction of straight line was enough to determine a Galilean frame. But how is that possible, since we no more have an absolute Time? — That determination will follow from the pinciple of constancy of the velocity of light. Let us call _light lines_ the straight lines in $\cal M$ which are possible world lines of light signals. Given an event $A\in{\cal M}$, the light lines through $A$ make a $3$-dimensional cone, the _light cone with apex $A$_; the two layers of that cone are called _the past half-cone_ and _the future half-cone_ with apex $A$. Since it is assumed that translations leave unchanged the properties of Space-Time, the light cone with another event $B$ as apex is deduced from the light cone with apex $A$ by the translation which maps $A$ onto $B$. Apart from light lines, there are two other kinds of straight lines in $\cal M$: * • _time-like straight lines_ , which lie _inside_ the light cone with any one of their elements as apex; * • and _space-like straight lines_ , which lie _outside_ the light cone with any of their element as apex. I can now explain how the direction of a time-like straight line $\cal A$ determines a Galilean frame $R$. That frame is such that the rigid bodies at rest in it are those whose all material points have, as world lines, straight lines parallel to $\cal A$. The straight lines parallel to $\cal A$ will be called the _isochorous lines_ 333 The word _isochorous_ , already used in Thermodynamics, refers here to a set of events which all occur at the same spatial location at various times, in similarity with the word _isochronous_ which refers to a set of events which all occur simultaneously in time at various spatial locations. of the reference frame $R$; each of these lines is a set of events which all happen at the same place in the Space ${\cal E}_{R}$ of our frame $R$. For each event $M\in{\cal M}$, the set of all other events which occur at the same time as $M$, for the Time ${\cal T}_{R}$ of our Galilean frame $R$, will be called the _isochronous subspace_ through $M$, for the Galilean frame $R$. It is a $3$-dimensional affine subspace ${\cal E}_{R,\,M}$ of $\cal M$ containing the event $M$, and the other isochronous subspaces for $R$ are all the $3$-dimensional subspaces of $\cal M$ parallel to ${\cal E}_{R,M}$. They are determined by the property: the length covered by a light signal, calculated in the reference frame $R$, during a given time interval, also evaluated in that reference frame, _is the same in any two opposite directions._ In a schematic $2$-dimensional Space-Time (or in a plane section containing $\cal A$ of the “true” $4$-dimensional Space-Time), the direction of isochronous subspaces is easily obtained as shown on the left part of Figure 3: we take the two light lines ${\cal L}^{g}$ and ${\cal L}^{d}$ through an event $A\in{\cal A}$ (the red lines on that figure); we take another event $A_{1}\in A$, for example in the future of $A$, and we build the parallelogram $A\,A_{1}^{g}\,A_{2}\,A_{1}^{d}$ with two sides supported by ${\cal L}^{g}$ and ${\cal L}^{d}$, with $A$ as one of its apices and $A_{1}$ as center. The isochronous subspaces are all the straight lines parallel to the space-like diagonal $A_{1}^{g}\,A_{1}^{d}$ of that parallelogram. Three of these lines are drawn (in blue) on Figure 3, ${\cal E}_{R,\,A}$, ${\cal E}_{R,\,A_{1}}$ and ${\cal E}_{R,\,A_{2}}$. — Why? — A light signal starting from $A$ covers, during the time interval between events $A$ and $A_{1}$, the lengths $A_{1}\,A_{1}^{g}$ towards the left and $A_{1}\,A_{1}^{d}$ towards the right. These lengths are equal because $A_{1}^{g}\,A_{1}^{d}$ is the diagonal of a parallelogram whose center is $A_{1}$. Figure 3: Construction of Space and Time relative to a Galilean frame — What for the “true” $4$-dimensional Minkowski Space-Time $\cal M$ ? And what are the Space ${\cal E}_{R}$ and the Time ${\cal T}_{R}$ of our reference frame $R$? — It is the same, as shown on the right side of Figure 3. Take the event $A_{2}$ on the light line $\cal A$ such that $A_{1}$ is the middle point of $A\,A_{2}$. Consider the future light half-cone with apex $A$ and the past light half-cone with apex $A_{2}$. Their intersection is a $2$-dimensional sphere $S$. The unique affine hyperplane ${\cal E}_{R,\,A_{1}}$ which contains $S$ is an isochronous subspace for the Galilean frame determined by the direction of $\cal A$ (in blue on Figure 3). The other isochronous subspaces for that Galilean frame are all the hyperplanes parallel to ${\cal E}_{R,\,A_{1}}$. The Space ${\cal E}_{R}$ is the set of all the isochorous lines, _i.e_ the set of all straight lines parallel to $\cal A$, and the Time ${\cal T}_{R}$ the set of all isochronous subspaces. Minkowski Space-Time $\cal M$ splits into the product ${\cal E}_{R}\times{\cal T}_{R}$, or in other words can be identified with that product, because a pair made by an isochorous line and an isochronous subspace determine a unique element of $\cal M$, the event at which they meet. — What happens if you change your Galilean frame? — Of course, as for Galilean frames in Leibniz Space-Time, the direction of isochorous lines (the straight world lines of points at rest with respect to the chosen Galilean frame) is changed. Moreover, contrary to what happened in Leibniz Space-Time, the direction of isochronous subspaces is also changed! Therefore, the chronological order of two events can be different when it is appreciated in two different Galilean frames! ### 3.3 Metric properties of Minkowski Space-Time Up to now, we have compared the lengths of two straight line segments in $\cal M$ only when they were supported by parallel straight lines. That was allowed by the _affine structure_ of $\cal M$. We need more, because the spectral lines of atoms allow us to build clocks and to compare time intervals measured in two different Galilean frames. Let $A\,A_{1}$ and $A\,B_{1}$ be two straight line segments supported by two different time-like straight lines $\cal A$ and $\cal B$, which meet at the event $A$. Let $R_{\cal A}$ and $R_{\cal B}$ be the Galilean frames determined by the directions of $\cal A$ and $\cal B$, respectively. We assume that the time intervals corresponding to $A\,A_{1}$ measured in $R_{\cal A}$, and to $A\,B_{1}$ measured in $R_{\cal B}$, are the same. Let $B^{\prime}$ be the event at which the time-like straight line $\cal B$ meets the isochronous subspace ${\cal E}_{R_{\cal A},A_{1}}$ containing $A_{1}$ of the Galilean frame $R_{\cal A}$ (figure 4). Since the events $A_{1}$ and $B^{\prime}$ are synchronous for $R_{\cal A}$, the time interval corresponding to $A\,B_{1}$ appears longer than the time interval corresponding to $A\,A_{1}$ when both are observed in the reference frame $R_{\cal A}$, by the ratio $\displaystyle\frac{A\,B_{1}}{A\,B^{\prime}}$. That ratio is the _ratio of dilation of times_ of the Galilean frame of $R_{\cal B}$, when observed in the Galilean frame $R_{\cal A}$. Similarly, $\displaystyle\frac{A\,A_{1}}{A\,A^{\prime}}$ is the ratio of dilation of times of the Galilean frame $R_{\cal A}$ when observed in the Galilean frame $R_{\cal B}$. According to the Principle of Relativity, these two Galilean frames must play the same role with respect to the other, which implies the equality $\displaystyle\frac{A\,A_{1}}{A\,A^{\prime}}=\frac{A\,B_{1}}{A\,B^{\prime}}$. By a well known property of hyperbolae, that equality holds _if and only if $A_{1}$ and $B_{1}$ lie on the same arc of hyperbola which has the light lines ${\cal L}^{d}$ and ${\cal L}^{g}$ (which meet at $A$ and are contained in the two-dimensional plane which contains $\cal A$ and $\cal B$) as asymptotes_. Or more generally, on the same hyperboloid with the light cone of $A$ as asymptotic cone. Figure 4: Comparison of times. The comparison of lengths on two non-parallel space-like straight lines is similar to the comparison of time intervals. Let $A\,A^{d}$ and $A\,B^{d}$ be two segments supported by two space-like straight lines which meet at the event $A$. They are of equal length _if and only if $A^{d}$ and $B^{d}$ lie on the same hyperboloid with the light cone of $A$ as asymptotic cone_. ## 4 Conclusion The comparison of time intervals and lengths presented above allows a very natural introduction of the pseudo-Euclidean metric of Minkowski Space-Time. The construction of isochronous subspaces in two different Galilean frames, as presented above, leads to the formulas for Lorentz transformations with a minimum of calculations. The pictures we have presented allow a very easy explanation of the apparent contraction of lengths and dilation of times associated to a change of Galilean frames and a very simple explanation, without complicated calculations, of the (improperly called) paradox of Langevin’s twins. By explaining that the affine structure of Space-Time should be questioned, a smooth transition towards General Relativity, suitable from children from 8 to 108 years old, seems possible. Acknowledgements. The author thanks the team “Analyse algébrique” of the “Institut de Mathématiques de Jussieu” and his University for taking in charge his registration fee at this International Conference. ## References * [1] Einstein, A., Lorentz, H.A., Weyl, H., Minkowski, H., The Principles of Relativity, a collection of original papers on the special and general theory of relativity, with notes by A. Sommerfeld. Methuen and Company, 1923. Reprinted by Dover Publications, Inc., New York. * [2] Newton, Isaac, Principes mathématiques de la Philosophie naturelle, tomes I et II, translated by Madame la Marquise du Chastellet, chez Desaint et Saillant, Paris, 1759. Reprinted by the Éditions Jacques Gabay, Paris, 1990. * [3] Poincaré, Henri, La Mécanique nouvelle, book containing the text of a lecture presented at the congress of the “Association française pour l’avancement des sciences” (Lille, 1909), the paper dated 23 July 1905 Sur la dynamique de l’électron, Rendiconti del Circolo matematico di Palermo XXI (1906), and a “Note aux Comptes Rendus de l’Académie des Sciences” with the same title dated 15 June 1905; Gauthier-Villars, Paris, 1924; reprinted by the Éditions Jacques Gabay, Paris, 1989.
arxiv-papers
2014-02-01T20:05:14
2024-09-04T02:49:58.020653
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/4.0/", "authors": "Charles-Michel Marle (IMJ)", "submitter": "Charles-Michel Marle", "url": "https://arxiv.org/abs/1402.2185" }
1402.2300
# Feature and Variable Selection in Classification Aaron Karper ###### Abstract The amount of information in the form of features and variables available to machine learning algorithms is ever increasing. This can lead to classifiers that are prone to overfitting in high dimensions, high dimensional models do not lend themselves to interpretable results, and the CPU and memory resources necessary to run on high-dimensional datasets severly limit the applications of the approaches. Variable and feature selection aim to remedy this by finding a subset of features that in some way captures the information provided best. In this paper we present the general methodology and highlight some specific approaches. ## 1 Introduction As machine learning as a field develops, it becomes clear that the issue of finding good features is often more difficult than the task of using the features to create a classification model. Often more features are available than can reasonably be expected to be used, because using too many features can lead to overfitting, hinders the interpretability, and is computationally expensive. ### 1.1 Overfitting One of the reasons why more features can actually hinder accuracy is that the more features we have, the less can we depend on measures of distance that many classifiers (e.g. SVM, linear regression, k-means, gaussian mixture models, …) require. This is known as the curse of dimensionality. Accuracy might also be lost, because we are prone to overfit the model if it incorporates all the features. ###### Example. In a study of genetic cause of cancer, we might end up with 15 participants with cancer and 15 without. Each participant has 21’000 gene expressions. If we assume that any number of genes in combination can cause cancer, even if we underestimate the number of possible genomes by assuming the expressions to be binary, we end with $2^{21^{\prime}000}$ possible models. In this huge number of possible models, there is bound to be one arbitrarily complex that fits the observation perfectly, but has little to no predictive power [Russell et al., 1995, Chapter 18, Noise and Overfitting]. Would we in some way limit the complexity of the model we fit, for example by discarding nearly all possible variables, we would attain better generalisation. ### 1.2 Interpretability If we take a classification task and want to gain some information from the trained model, model complexity can hinder any insights. If we take up the gene example, a small model might actually show what proteins (produced by the culprit genes) cause the cancer and this might lead to a treatment. ### 1.3 Computational complexity Often the solution to a problem needs to fulfil certain time constraints. If a robot takes more than a second to classify a ball flying at it, it will not be able to catch it. If the problem is of a lower dimensionality, the computational complexity goes dows as well. Sometimes this is only relevant for the prediciton phase of the learner, but if the training is too complex, it might become infeasible. ### 1.4 Previous work This article is based on the work of [Guyon and Elisseeff, 2003], which gives a broad introduction to feature selection and creation, but as ten years passed, the state-of-the-art moved on. The relevance of feature selection can be seen in [Zhou et al., 2005], where gene mutations of cancer patients are analysed and feature selection is used to conclude the mutations responsible. In [Torresani et al., 2008], the manifold of human poses is modelled using a dimensionality reduction technique, which will presented here in short. Kevin Murphy gives an overview of modern techniques and their justification in [Murphy, 2012, p. 86ff] ### 1.5 Structure In this paper we will first discuss the conclusions of Guyon and Elisseeff about the general approaches taken in feature selection in section 2, discuss the creation of new features in section 3, and the ways to validate the model in section 4. Then we will continue by showing some more recent developments in the field in section 5. ## 2 Classes of methods In [Guyon and Elisseeff, 2003], the authors identify four approaches to feature selection, each of which with its own strengths and weaknesses: Ranking orders the features according to some score. Filters build a feature set according to some heuristic. Wrappers build a feature set according to the predictive power of the classifier Embedded methods learn the classification model and the feature selection at the same time. If the task is to predict as accurately as possible, an algorithm that has a safeguard against overfitting might be better than ranking. If a pipeline scenario is considered, something that treats the following phases as blackbox would be more useful. If even the time to reduce the dimensionality is valuable, a ranking would help. ### 2.1 Ranking Variables get a score in the ranking approach and the top $n$ variables are selected. This has the advantage that $n$ is simple to control and that the selection runs in linear time. ###### Example. In [Zhou et al., 2005], the authors try to find a discriminative subset of genes to find out whether a tumor is malignant or benign111Acutally they classify the tumors into 3 to 5 classes.. In order to prune the feature base, they rank the variables according to the correlation to the classes and make a preliminary selection, which discards most of the genes in order to speed up the more sophisticated procedures to select the top 10 features. There is an inherrent problem with this approach however, called the xor problem[Russell et al., 1995]: Figure 1: A ranking procedure would find that both features are equally useless to separate the data and would discard them. If taken together however the feature would separate the data very well. It implicitly assumes that the features are uncorrelated and gives poor results if they are not. On figure 1, we have two variables $X$ and $Y$, with the ground truth roughly being $Z=X>5\;\mathtt{xor}\;Y>5$. Each variable taken separately gives absolutely no information, if both variables were selected however, it would be a perfectly discriminant feature. Since each on its own is useless, they would not rank high and would probably be discarded by the ranking procedure, as seen in figure 1. ###### Example. Take as an example two genes $X$ and $Y$, so that if one is mutated the tumor is malignant, which we denote by $M$, but if both mutate, the changes cancel each other out, so that no tumor grows. Each variable separately would be useless, because $P(M=true|X=true)=P(Y=false)$, but $P(M=true|X=true,Y=false)=1$ – ### 2.2 Filters While ranking approaches ignore the value that a variable can have in connection with another, filters select a subset of features according to some determined criterion. This criterion is independent of the classifier that is used after the filtering step. On one hand this allows to only train the following classifier once, which again might be more cost-effective. On the other hand it also means that only some heuristics are available of how well the classifier will do afterwards. Filtering methods typically try to reduce in-class variance and to boost inter-class distance. An example of this approach is a filter that would maximize the correlation between the variable set and the classification, but minimize the correlation between the variables themselves. This is under the heuristic, that variables, that correlate with each other don’t provide much additional information compared to just taking one of them, which is not necessarily the case, as can be seen on figure 2: If the variable is noisy, a second, correlated variable can be used to get a better signal, as can be seen in figure 2. Figure 2: Features might be identically distributed, but using both can reduce variance and thus confusion by a factor of $\sqrt{n}$ A problem with the filtering approach is that the performance of the classifier might not depend as much as we would hope on the proxy measure that we used to find the subset. In this scenario it might be better to assess the accuracy of the classifier itself. ### 2.3 Wrappers Wrappers allow to look at the classifier as a blackbox and therefore break the pipeline metaphor. They optimize some performance measure of the classifier as the objective function. While this gives superior results to the heuristics of filters, it also costs in computation time, since a classifier needs to be trained each time – though shortcuts might be available depending on the classifier trained. Wrappers are in large search procedures through feature subset space – the atomic _movements_ are to add or to remove a certain feature. This means that many combinatorical optimization procedures can be applied, such as simulated annealing, branch-and-bound, etc. Since the subset space is $2^{N}$, for $N$ the number of features, it is not feasible to perform an exhaustive search, therefore greedy methods are applied: The start can either be the full feature set, where we try to reduce the number of features in an optimal way (_backward elimination_) or we can start with no features and add them in a smart way (_forward selection_). It is also possible to replace the least predictive feature from the set and replace it with the most predictive feature from the features that were not chosen in this iteration. ### 2.4 Embedded Wrappers treated classifiers as a black box, therefore a combinatorical optimization was necessary with a training in each step of the search. If the classifier allows feature selection as a part of the learning step, the learning needs to be done only once and often more efficiently. A simple way that allows this is to optimize in the classifier not only for the likelihood of the data, but instead for the posterior probability (MAP) for some prior on the model, that makes less complex models more probable. An example for this can be found in section 5.2. Somewhat similar is SVM with a $\ell_{1}$ weigth constraint 222$\ell_{p}(\mathbf{w})=\|\mathbf{w}\|_{p}=\sqrt[p]{\sum|w_{i}|^{p}}$ . The 1:1 exchange means that non-discriminative variables will end up with a 0 weight. It is also possible to take this a step further by optimizing for the number of variables directly, since $l_{0}(w)=\lim_{p\rightarrow 0}l_{p}(w)$ is exactly the number of non-zero variables in the vector. ## 3 Feature creation In the previous chapter the distinction between variables and features was not necessary, since both could be used as input to the classifier after feature selection. In this section _features_ is the vector offered to the classifier and _variables_ is the vector handed to the feature creation step, i.e. the _raw inputs_ collected. For much the same reasons that motivated feature selection, feature creation for a smaller number of features compared to the number of variables provided. Essentially the information needs to be compressed in some way to be stored in fewer variables. Formally this can be expressed by mapping the high- dimensional space through the bottleneck, which we hope results in recovering the low dimensional concepts that created the high-dimensional representation in the first place. In any case it means that typical features are created, with a similar intuition to efficient codes in compression: If a simple feature occurs often, giving it a representation will reduce the loss more than representing a less common feature. In fact, compression algorithms can be seen as a kind of feature creation[Argyriou et al., 2008]. This is also related to the idea of manifold learning: While the variable space is big, the actual space in that the variables vary is much smaller – a manifold333A manifold is the mathematical generalization of a surface or a curve in 3D space: Something smooth that can be mapped from a lower dimensional space. of hidden variables embedded in the variable space. ###### Example. In [Torresani et al., 2008] the human body is modelled as a low dimensional model by _probabilistic principal component analyis_ : It is assumed that the hidden variables are distributed as Gaussians in a low dimensional space that are then linearly mapped to the high dimensional space of positions of pixels in an image. This allows them to learn _typical_ positions that a human body can be in and with that track body shapes in 3d even if neither the camera, nor the human are fixed. ## 4 Validation methods The goal up to this point was to find a simple model, that performs well on our training set, but we hope that our model will perform well in data, it has never seen before: minimizing the _generalization error_. This section is concerned with estimating this error. A typical approach is _cross-validation_ : If we have independent and identically distributed datapoint, we can split the data and train the model on one part and measure its performance on the rest. But even if we assume that the data is identically distributed, it requires very careful curation of the data to achieve independence: ###### Example. Assume that we take a corpus of historical books and segment them. We could now cross-validate over all pixels, but this would be anything but independent. If we are able to train our model on half the pixels of a page and check against the other half, we would naturally perform quite well, since we are actually able to learn the style of the page. If we split page-wise, we can learn the specific characteristics of the author. Only if we split author- wise, we might hope to have a resemblence of independence. Another approach is _probing_ : instead of modifying the data set and comparing to other data, we can modify the _feature space_. We add random variables, that have no predictive power to the feature set. Now we can measure how well models fare against pure chance444 This can take the form of a significance test.. Our performance measure is then the signal-to-noise ratio of our model. ## 5 Current examples ### 5.1 Nested subset methods In the nested subset methods the feature subset space is greedily examined by estimating the expected gain of adding one feature in forward selection or the expected loss of removing one feature in backward selection. This estimation is called the _objective function_. If it is possible to examine the objective function for a classifier directly, a better performance is gained by embedding the search procedure with it. If that is not possible, training and evaluating the classifier is necessary in each step. ###### Example. Consider a model of a linear predictor $p(\mathbf{y}|\mathbf{x})$ with $M$ input variables needing to be pruned to $N$ input variables. This can be modeled by asserting that the real variables $x_{i}^{\star}$ are taken from $\mathbb{R}^{N}$, but a linear transformation $A\in\mathbb{R}^{N\times M}$ and a noise term $n_{i}=\mathcal{N}(0,\sigma_{x}^{2})$ is added: $\mathbf{x_{i}}=A\mathbf{x^{\star}_{i}}+n_{i}$ In a classification task555The optimization a free interpretation of [Guo, 2008], we can model $y=\mathop{\mathrm{Ber}}\nolimits(\mathop{\mathrm{sigm}}\nolimits(\mathbf{w}\cdot\mathbf{x}^{\star}))$. This can be seen as a generalisation of PCA666Principal component analysis reduces the dimensions of the input variables by taking only the directions of the largest eigenvalues. to the case where the output variable is taken into account ([West, 2003] and [Bair et al., 2006] develop the idea). Standard supervised PCA assumes that the output is distributed as a gaussian distribution, which is a dangerous simplification in the classification setting[Guo, 2008]. The procedure iterates over the eigenvectors of the natural parameters of the joint distribution of the input and the output and adds them if they show an improvement to the current model in order to capture the influence of the input to the output optimally. If more than $N$ variables are in the set, the one with the least favorable score is dropped. The algorithms iterates some fixed number of times over all features, so that hopefully the globally optimal feature subset is found. ### 5.2 Logistic regression using model complexity regularisation In the paper _Gene selection using logistic regressions based on AIC, BIC and MDL criteria_[Zhou et al., 2005] by Zhou, Wang, and Dougherty, the authors describe the problem of classifying the gene expressions that determine whether a tumor is part of a certain class (think malign versus benign). Since the feature vectors are huge ($\approx 21^{\prime}000$ genes/dimensions in many expressions) and therefore the chance of overfitting is high and the domain requires an interpretable result, they discuss feature selection. For this, they choose an embedded method, namely a normalized form of logistic regression, which we will describe in detail here: Logistic regression can be understood as fitting $p_{\mathbf{w}}(\mathbf{x})=\frac{1}{1+e^{\mathbf{w}\cdot\mathbf{x}}}=\mathop{\mathrm{sigm}}\nolimits(\mathbf{w}\cdot\mathbf{x})$ with regard to the separation direction $\mathbf{w}$, so that the confidence or in other words the probability $p_{\mathbf{w}^{\star}}(\mathbf{x}_{data})$ is maximal. This corresponds to the assumption, that the probability of each class is $p(c|\mathbf{w})=\mathop{\mathrm{Ber}}\nolimits(c|\mathop{\mathrm{sigm}}\nolimits(\mathbf{w}\cdot\mathbf{x}))$ and can easily be extended to incorporate some prior on $\mathbf{w}$, $p(c|\mathbf{w})=\mathop{\mathrm{Ber}}\nolimits(c|\mathop{\mathrm{sigm}}\nolimits(\mathbf{w}\cdot\mathbf{x}))\,p(w)$ [Murphy, 2012, p. 245]. The paper discusses the priors of the Akaike information criterion (AIC), the Bayesian information criterion (BIC) and the minimum descriptor length (MDL): #### AIC The Akaike information criterion penaltizes degrees of freedom, the $\ell_{0}$ norm, so that the function optimized in the model is $\log L(\mathbf{w})-\ell_{0}(\mathbf{w})$. This corresponds to an exponential distribution for $p(\mathbf{w})\propto\exp(-\ell_{0}(\mathbf{w}))$. This can be interpreted as minimizing the variance of the models, since the variance grows exponentially in the number of parameters. #### BIC The Bayesian information criterion is similar, but takes the number of datapoints $N$ into account: $p(\mathbf{w})\propto N^{-\frac{\ell_{0}(\mathbf{w})}{2}}$. This has an intuitive interpretation if we assume that a variable is either ignored, in which case the specific value does not matter, or taken into account, in which case the value influences the model. If we assume a uniform distribution on all such models, the ones that ignore become more probable, because they accumulate the probability weight of all possible values. #### MDL The minimum descriptor length is related to the algorithmic probability and states that the space necessary to store the descriptor gives the best heuristic on how complex the model is. This only implicitly causes variable selection. The approximation for this value can be seen in the paper itself. Since the fitting is computationally expensive, the authors start with a simple ranking on the variables to discard all but the best 5’000. They then repeatedly fit the respective models and collect the number of appearances of the variables to rank the best 5, 10, or 15 genes. This step can be seen as an additional ranking step, but this seems unnecessary, since the fitted model by construction would already have selected the best model. Even so they still manage to avoid overfitting and finding a viable subset of discriminative variables. ### 5.3 Autoencoders as feature creation Autoencoders are deep neural networks777Deep means multiple hidden layers. that find a fitting information bottleneck (see 3) by optimizing for the reconstruction of the signal using the _inverse_ transformation888A truely inverse transformation is of course not possible.. Figure 3: An autoencoder network Deep networks are difficult to train, since they show many local minima, many of which show poor performance [Murphy, 2012, p. 1000]. To get around this, Hinton and Salakhutdinov [Hinton and Salakhutdinov, 2006] propose pretraining the model as stacked restricted Bolzmann machines before devising a global optimisation like stochastical gradient descent. Restricted Bolzmann machines are easy to train and can be understood as learning a probability distribution of the layer below. Stacking them means extracting probable distributions of features, somewhat similar to a distribution of histograms as for example HoG or SIFT being representative to the visual form of an object. It has long been speculated that only low-level features could be captured by such a setup, but [Le et al., 2011] show that, given enough resources, an autoencoder can learn high level concepts like recognizing a cat face without any supervision on a 1 billion image training set. The impressive result beats the state of the art in supervised learning by adding a simple logistic regression on top of the bottleneck layer. This implies that the features learned by the network capture the concepts present in the image better than SIFT visual bag of words or other human created features and that it can learn a variety of concepts in parallel. Further since the result of the single best neuron is already very discriminative, it gives evidence for the possibility of a _grandmother neuron_ in the human brain – a neuron that recognizes exactly one object, in this case the grandmother. Using this single feature would also take feature selection to the extreme, but without the benefit of being more computationally advantageous. ### 5.4 Segmentation in Computer Vision A domain that necessarily deals with a huge number of dimensions is computer vision. Even only considering VGA images, in which only the actual pixel values are taken into account gives $480\times 640=307^{\prime}200$ datapoints per image. For a segmentation task in document analysis, where pixels need to be classified into regions like border, image, and text, there is more to be taken into account than just the raw pixel values in order to incorporate spartial information, edges, etc. With up to 200 heterogeneous features to consider for each pixel, the evaluation would take too long to be useful. This section differs from the previous two in that instead of reviewing a ready made solution to a problem, it shows the process of producing such a solution. The first thing to consider is whether or not we have a strong prior of how many features are useful. In the example of cancer detection, it was known that only a small number of mutation caused the tumor, so a model with a hundred genes could easily be discarded. Unfortunately this is not the case for segmentation, because our features don’t have a causal connection to the true segmentation. Finding good features for segmentation requires finding a good proxy feature set for the true segmentation. Next we might consider the loss of missclassification: In a computer vision task, pixel missclassifications are to be expected and can be smoothed over. Computational complexity however can severely limit the possible applications of an algorithm. As [Russell et al., 1995] note, using a bigger dataset can be more advantageous than using the best algorithm, so we would favour an efficient procedure over a very accurate one, because it would allow us to train on a bigger training set. Since the variables are likely to be correlated, ranking will give bad results. Taking this into account, we would consider $L_{1}$ normalized linear classifiers, because of the fast classification and training (the latter due to [Yuan et al., 2010], in which linear time training methods are compared). Taking linear regression could additionally be advanageous, since its _soft_ classification would allow for better joining of continuous areas of the document. ## 6 Discussion and outlook Many of the concepts presented in [Guyon and Elisseeff, 2003] still apply, however the examples fall short on statistical justification. Since then applications for variable and feature selection and feature creation were developed, some of which were driven by advances in computing power, such as high-level feature extraction with autoencoders, others were motivated by integrating prior assumptions about the sparcity of the model, such as the usage of probabilistic principal component analysis for shape reconstruction. The goals of variable and feature selection – avoiding overfitting, interpretability, and computational efficiency – are in our opinion problems best tackled by integrating them into the models learned by the classifier and we expect the embedded approach to be best fit to ensure an optimal treatment of them. Since many popular and efficient classifiers, such as support vector machines, linear regression, and neural networks, can be extended to incorporate such constraints with relative ease, we expect the usage of ranking, filtering, and wrapping to be more of a pragmatic first step, before sophisticated learners for sparse models are employed. Advances in embedded approaches will make the performance and accuracy advantages stand out even more. Feature creation too has seen advances, especially in efficient generalisations of the principal component analysis algorithm, such as kernel PCA (1998) and supervised extensions. They predominantly rely on the bayesian formulation of the PCA problem and we expect this to drive more innovation in the field, as can be seen by the spin-off of reconstructing a shape from 2D images using a bayesian network as discussed in [Torresani et al., 2008]. ## References * [Argyriou et al., 2008] Argyriou, A., Evgeniou, T., and Pontil, M. (2008). Convex multi-task feature learning. Machine Learning, 73(3):243–272. * [Bair et al., 2006] Bair, E., Hastie, T., Paul, D., and Tibshirani, R. (2006). Prediction by supervised principal components. Journal of the American Statistical Association, 101(473). * [Guo, 2008] Guo, Y. (2008). Supervised exponential family principal component analysis via convex optimization. In Advances in Neural Information Processing Systems, pages 569–576. * [Guyon and Elisseeff, 2003] Guyon, I. and Elisseeff, A. (2003). An introduction to variable and feature selection. The Journal of Machine Learning Research, 3:1157–1182. * [Hinton and Salakhutdinov, 2006] Hinton, G. E. and Salakhutdinov, R. R. (2006). Reducing the dimensionality of data with neural networks. Science, 313(5786):504–507. * [Le et al., 2011] Le, Q. V., Ranzato, M., Monga, R., Devin, M., Chen, K., Corrado, G. S., Dean, J., and Ng, A. Y. (2011). Building high-level features using large scale unsupervised learning. arXiv preprint arXiv:1112.6209. * [Murphy, 2012] Murphy, K. P. (2012). Machine learning: a probabilistic perspective. The MIT Press. * [Russell et al., 1995] Russell, S. J., Norvig, P., Canny, J. F., Malik, J. M., and Edwards, D. D. (1995). Artificial intelligence: a modern approach, volume 74. Prentice hall Englewood Cliffs. * [Torresani et al., 2008] Torresani, L., Hertzmann, A., and Bregler, C. (2008). Nonrigid structure-from-motion: Estimating shape and motion with hierarchical priors. Pattern Analysis and Machine Intelligence, IEEE Transactions on, 30(5):878–892. * [West, 2003] West, M. (2003). Bayesian factor regression models in the ”large p, small n” paradigm. Bayesian statistics, 7(2003):723–732. * [Yuan et al., 2010] Yuan, G.-X., Chang, K.-W., Hsieh, C.-J., and Lin, C.-J. (2010). A comparison of optimization methods and software for large-scale l1-regularized linear classification. The Journal of Machine Learning Research, 9999:3183–3234. * [Zhang et al., 2011] Zhang, X., Yu, Y., White, M., Huang, R., and Schuurmans, D. (2011). Convex sparse coding, subspace learning, and semi-supervised extensions. In AAAI. * [Zhou et al., 2005] Zhou, X., Wang, X., and Dougherty, E. R. (2005). Gene selection using logistic regressions based on aic, bic and mdl criteria. New Mathematics and Natural Computation, 1(01):129–145.
arxiv-papers
2014-02-10T21:05:58
2024-09-04T02:49:58.031650
{ "license": "Public Domain", "authors": "Aaron Karper", "submitter": "Aaron Karper", "url": "https://arxiv.org/abs/1402.2300" }
1402.2415
arxiv-papers
2014-02-11T10:01:15
2024-09-04T02:49:58.041228
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Pradeep Singla, Devraj Gautam", "submitter": "Pradeep Singla", "url": "https://arxiv.org/abs/1402.2415" }
1402.2431
ITEP-TH- 02/14 RG limit cycles K.Bulycheva$\,{}^{a}$, A.Gorsky$\,{}^{a,b}$ a Institute of Theoretical and Experimental Physics, Moscow 117218, Russia b Moscow Institute of Physics and Technology, Dolgoprudny 141700, Russia [email protected] [email protected] Contribution to the ”Pomeranchuk-100” Volume Abstract In this review we consider the concept of limit cycles in the renormalization group flows. The examples of this phenomena in the quantum mechanics and field theory will be presented. ## 1 Generalities It is usually assumed that the RG flow connects fixed points, starting at a UV repelling point and terminating at a IR attracting point. However it turned out that this open RG trajectory does not exhaust all possibilities and the clear-cut quantum mechanical example of the nontrivial RG limit cycle has been found in [1] confirming the earlier expectations. This example triggered the search for patterns of this phenomena which was quite successful. They have been identified both in the systems with finite number of degrees of freedom [2, 3, 4, 5] and in the field theory framework [6, 7, 8]. Now the cyclic RG takes its prominent place in the world of RG phenomena however the subject certainly deserves much more study. The appearance of critical points corresponds to phase transitions of the second kind, hence there exists a natural question concerning the connection of RG cycles with phase transitions. The very phenomenon of the cyclic RG flow has been interpreted in the important paper [7] as a kind of generalization of the BKT phase transitions in two dimensions. One can start from a usual example of an RG flow connecting UV and IR fixed points and then consider a motion in a parameter space which results in a merging of the fixed points.In [7] it was argued that when the parameter goes into the complex region the cyclic behaviour of the RG flow gets manifested and a gap in the spectrum arises. This happens similar to the BKT transition case when a deconfinement of vortices occurs at the critical temperature and the conformal symmetry is restored at lower temperatures. The appearance of the RG cycles can be also interpreted as the peculiar anomaly in the classical conformal group [9]. This anomaly has the origin in some ”falling to the center” UV phenomena which could have quite different reincarnations. We would like to emphasize one more generic feature of the phenomena — the cyclic RG usually occurs in the system with at least two couplings. One of them undergoes the RG cyclic flow while the second determines the period of the cycle. The collision of the UV and IR fixed points can be illustrated in a quite general manner as follows. Assume that there are two couplings $(\alpha,g)$ in the theory and we focus at the renormalization of the coupling which enjoys the following $\beta$-function $\beta_{g}=(\alpha-\alpha_{0})-(g-g_{0})^{2},$ (1) which vanishes at the hypersurface in the parameter space $g=g_{0}\pm\sqrt{\alpha-\alpha_{0}}.$ (2) It was argued in [7] that the collision of two roots at $\alpha=\alpha_{0}$ can be interpreted as the collision of UV and IR fixed points. Upon the collision the points move into the complex $g$ plane and an RG cycle emerges. The period of the cycle can be immediately estimated as $T\propto\int_{g_{UV}}^{g_{IR}}\frac{dg}{\beta(\alpha;g)}\propto\frac{1}{\sqrt{\alpha-\alpha_{0}}}.$ (3) The phenomena is believed to be generic once the beta–function has the form (1). Note that is was shown that the RG cycles are consistent with the c-theorem [10]. Breaking of the conformal symmetry results in the generation of the mass scale which has non-perturbative nature. Due to the RG cycles the scale is not unique and the whole tower with the Efimov-like scaling gets manifested $E_{n+1}=\lambda E_{n},$ (4) where $\lambda$ is fixed by the period of RG cycle. In the examples available we could attempt to trace the physical picture behind. It turns out that the origin of two couplings is quite general. One coupling does not break the conformal symmetry which is exact in some subspace of the parameter space. The second coupling plays the role of UV regularization which can be imposed in one or another manner. It breaks the conformal symmetry however some discrete version of the scale symmetry survives which is manifested in the cycle structure. The UV regularization will have different reincarnations in the examples considered: the account of the finite size of the nuclei, contact interaction in the model of superconductivity or the brane splitting in the supersymmetric models. Historically the first example of this phenomena has been found long time ago by Efimov [11] in the context of nuclear physics. He considered the three-body system when two particles are near threshold and have attractive potential with the third particle. It was shown that two–particle bound states are absent in the spectrum, but there is a tower of the three–particle bound states with the geometrical scaling corresponding to $\lambda\approx 22,7$. The review of the RG interpretation of the Efimov phenomena can be found in [12]. When considering the system with finite number of degrees of freedom the meaning of the RG flows has to be clarified. To this aim some UV cutoff should be introduced. In the first example in [1] the step of the RG corresponds to the integrating out the highest energy level taking into account its correlation with the rest of the spectrum. This approach has a lot in common with the renormalization procedure in the matrix models considered in [13]. The same UV cutoff for formulation of RG procedure has been used for the Russian Doll (RD) model describing the restricted BCS model of superconductivity [14]. In that case the coupling providing the Cooper pairing undergoes the RG cycle while the CP-violating parameter defines the period. In the second class of examples the UV cutoff is introduced not at high energy scale but at small distances. The RG cycles have been found in the non- relativistic Calogero-like models with $\frac{1}{r^{2}}$ potential which enjoys naive conformal symmetry [3, 4, 5]. The RG flow is formulated in terms of the short distance regularization of the model. It is assumed that the wave function with $E=0$ at large $r$ does not depend on the UV cutoff at small $r$. This condition yields the equation for the parameter of a cutoff in the regularization potential. This equation has multiple solutions which can be interpreted as the manifestation of the tower of shallow bound states with the Efimov scaling in the regularized Calogero model with attraction. The scaling factor in the tower is determined by the Calogero coupling constant which reflects the remnant of the conformal group upon the regularization. The list of the field theory examples in different dimensions with the cyclic RG flows is short but quite representative. In two dimensions the explicit example with the RG cycle has been found in some range of parameters in the sin-Gordon model. The cycle manifests itself in the pole structure of the $S$-matrix. Efimov-like tower of states corresponds to the specific poles with the Regge-like behavior of the resonance masses [6] $m_{n}=m_{s}e^{\frac{n\pi}{h}},$ (5) where $h$ is a certain parameter of the model. Moreover it was argued that the $S$-matrix behaves universally under the cyclic RG flows. The tower of Efimov states scales in the same manner as in the quantum mechanical case. The origination of the cyclic RG behavior in the sine–Gordon model is not surprising. Indeed it was argued in [7] that the famous Berezinsky–Kosterlitz–Thouless (BKT) phase transition in XY system belongs to this universality class. On the other hand one can map the XY system at the $T$ temperature into the sin-Gordon theory with the parameters: $L_{SG}=T(\partial\phi)^{2}-4z\cos\phi,$ (6) and look at the renormalization of the interaction coupling. The $\beta$–functions read as $\beta_{u}=-2v^{2},\qquad\beta_{v}=-2uv,$ (7) where $u=1-\frac{1}{8\pi T},\qquad v=\frac{2z}{T\Lambda^{2}},$ (8) and $\Lambda$ is the UV cutoff introduced to regularize the vortex core. The form of $\beta$ functions implies the existence of the limit cycle with the following expression for the correlation length: $\xi_{BKT}\Lambda\propto\exp\left(\frac{c}{\sqrt{|T-T_{c}|}}\right),$ (9) above the phase transition. This RG behavior gets mapped into the RG cycle in the sine–Gordon model. The example of the Efimov tower in 2+1 dimensions has been found in [15] in the holographic representation. The model is based on the $D3-D5$ brane configuration and corresponds to the large $N$ 3d gauge theory with fundamentals enjoying $\mathcal{N}=4$ supersymmetry. In addition the magnetic field and the finite density of conserved charge are present. At strong coupling the gauge theory is described in terms of the probe $N_{f}$ flavor branes in the nontrivial $AdS_{5}\times S^{5}$ geometry when the $U(1)$ bulk gauge field is added providing the magnetic field in the boundary theory. The generation of the tower of the Efimov states happens at some value of the “filling fraction” $\nu$ in external magnetic field. The phase transition corresponds to the change of the minimal embedding of the probe $D5$ branes in the bulk geometry with the BKT critical behavior of the order parameter. In that case the order parameter gets identified with the condensate $\sigma$ which behaves as: $\sigma\propto\exp\left(-\frac{1}{\nu}\right).$ (10) Above the phase transition the embedding gets changed and the brane becomes extended in one more coordinate. The scale associated with this extension into new dimension is nothing but the nonperturbative scale amounting to the mass gap. The phenomena of the cyclic RG flow in this case has the Breitenlohner- Freedman instability as the gravitational counterpart. In four dimensions the most famous example of the Efimov tower is the so- called Miransky scaling for the condensate in the magnetic field. In [16] was argued that the chiral condensate is generated in the external magnetic field in the abelian theory with the following behavior: $\langle\bar{\Psi}\Psi\rangle\propto\Lambda^{3}\exp(-\frac{c}{\sqrt{\alpha-\alpha_{crit}}}),$ (11) where $\alpha$ is the fine–structure constant, and $c$ is some parameter of the model. More recent example [17] of the Efimov tower in four dimensions concerns the Veneziano limit of QCD when $N_{f},N_{c}\rightarrow\infty$ while the ratio $x=\frac{N_{f}}{N_{c}}$ is fixed. It turns out that this parameter can be considered as the variable in the RG flow which reminds the finite-dimensional examples. At some value of RG scale the tower of condensates gets generated with geometrical Efimov scaling. The period of the RG cycle reads as: $T\propto\frac{\kappa}{\sqrt{x_{c}-x}},$ (12) where $x_{c}$ is the critical value of the $x$ parameter. Finally the 4d example with the RG cycle has been found in the $\mathcal{N}=2$ SUSY gauge theory in the $\Omega$-background [8]. In that case the gauge coupling undergoes the RG cycle whose period is determined by the parameter of the $\Omega$-background, $T\propto\epsilon^{-1}.$ (13) The appearance of the RG cycle in this model can be traced from its relation with the quantum integrable systems of the spin chain type. In this review we provide the reader with the examples of this phenomenon. The list of the systems with finite number of degrees of freedom involves the Calogero model and the relativistic model with the classical conformal symmetry describing the external charge in graphene. Another finite- dimensional example concerns the RD model of the restricted BCS superconductivity. The field theory examples concern the $3d$ and $4d$ theories in external fields. We shall focus on their brane representations and use their relations to the finite dimensional integrable systems. ## 2 RG cycles in non-relativistic quantum mechanics In this Section we consider the example of the limit cycle in RG in the non- relativistic system with the inverse-square potential, or the Calogero system: $H=\frac{\partial^{2}}{\partial r^{2}}-\frac{\mu(\mu-1)}{r^{2}}.$ (14) The distinctive feature of the system described by the Hamiltonian (14) is its conformality. Namely, the operators $(H,D,K)$, where $D$ is the dilation generator and $K$ is the conformal boost, generate the conformal $\mathfrak{sl}_{2}$ algebra (see Section 4). The eigenfunctions of (14) having finite energy immediately break this symmetry; more non-trivial is the fact that even the ground state breaks conformality. Namely, the solution to the $H\psi=0$ equation is the following: $\psi_{0}=c_{+}r^{\mu}+c_{-}r^{1-\mu}.$ (15) This solution is scale-invariant only if one of the coefficients $c_{\pm}$ is zero. If both the coefficients are present, they define an intrinsic length scale $L=\left(c_{+}/c_{-}\right)^{1/(-2\mu+1)}$. Requiring that the quantity $c_{+}/c_{-}$ which describes the ground-state solution be invariant under the change of scale, $\frac{c_{+}}{c_{-}}=-r_{0}^{-2\mu+1}\frac{\gamma-\mu+1}{\gamma+\mu},$ (16) we arrive at the beta-function for the $\gamma$ parameter, $\beta_{\gamma}=\frac{\partial\gamma}{\partial\log r_{0}}=-\left(\gamma+\mu\right)\left(\gamma-\mu+1\right)=\left(\mu-\frac{1}{2}\right)^{2}-\left(\gamma-\frac{1}{2}\right)^{2},$ (17) where $r_{0}$ is the RG scale. We can identify $\gamma=\mu-1,\gamma=-\mu$ points, i.e. solutions with $c_{+}=0$, $c_{-}=0$, with UV and IR attractive points of the renormalization group flow [7]. If $\mu=i\nu$ is imaginary, i.e. the potential is attractive, then the equation (17) allows us to determine the period of the renormalization group: $T=-\int_{-\nu+1}^{\nu}\frac{d\gamma}{\beta_{\gamma}}=\frac{\pi}{\nu-\frac{1}{2}}.$ (18) This means that an infinite number of scales is generated, differing by a factor of $\exp\left(-\frac{\pi}{\nu-\frac{1}{2}}\right)$. To see this explicitly, we find the solutions to the Schrödinger equation at finite energies. In the attractive potential the solution (15) can be written as: $\psi_{0}\propto\sqrt{r}\sin\left(\left(\nu-\frac{1}{2}\right)\log\left(\frac{r}{r_{0}}\right)+\alpha\right).$ (19) We observe that this solution oscillates indeterminately in the vicinity of the origin and there is no way to fix the $\alpha$ constant. To regularize this behaviour, we can break the scale invariance at the level of the Hamiltonian and introduce a regularizing potential. Two most popular regularizations involve the square-well potential [4, 5] or the delta-shell potential [3]. One more choice is to introduce a $\delta$-function at the origin [7]. Choosing the square-well regularization, $V(r)=\left\\{\begin{array}[]{l}-\frac{\nu(\nu-1)}{r^{2}},r>R,\\\ -\frac{\lambda}{R^{2}},r\leq R,\end{array}\right.$ (20) we require that the action of the dilatation operator on the wavefunction inside the well and outside it be equal at $r=R$. This condition amounts to the equation on $\lambda$, $\sqrt{\lambda}\cot\sqrt{\lambda}=\frac{1}{2}+\nu\cot\left(\nu\log\left(\frac{R}{r_{0}}\right)\right).$ (21) The multivalued function $\lambda(R)$ can be chosen to be continuous [5]. The wavefunction regular at infinity is given as a combination of the Bessel functions [5], $\psi\left(r,\kappa_{m}\right)=\sqrt{r}(-1)^{m}\left(ie^{-i\nu\frac{\pi}{2}}J_{i\nu}\left(\kappa_{m}r\right)-ie^{i\nu\frac{\pi}{2}}J_{-i\nu}\left(\kappa_{m}r\right),\right),$ (22) where $\kappa$ is the energy of the state. The spectrum consists of infinitely many shallow bound states with adjacent energies differing by an exponential factor, $\frac{\kappa_{m+1}}{\kappa_{m}}=e^{-\frac{\pi}{\nu}}.$ (23) Note that the coordinate enters the wavefunction (22) only in combination with energy, and the spectrum is generated by the dilation operator: $\psi_{m+1}=\exp\left(-\frac{\pi}{\nu}r\partial_{r}\right)\psi_{m}.$ (24) One can think of that relation as that the action of the dilatation operator shifts zeroes of the wave function from the area of $r<R$ to the area with the inverse square potential, and one step of (24) evolution corresponds to elimination of a single zero in the area with the square-well potential. Since the wave function oscillates infinitely at the origin, the elimination of all the zeroes would require an infinite number of steps, and in this way a whole tower of states gets generated. ## 3 RG cycle in graphene In this Section we shall consider the similar problem in 2+1 dimensions which physically corresponds to the external charge in the planar graphene layer. The problem has the classical conformal symmetry and is the relativistic analogue of the conformal non-relativistic Calogero-like system. Due to conformal symmetry we could expect the RG cycles and Efimov-like states in this problem upon imposing the short distance cutoff. The issue of the charge in the graphene plane has been discussed theoretically [19, 20, 21] and experimentally [22, 23]. It was argued that indeed there is the tower of ”quasi-Rydberg” states with the exponential scaling [24]. The situation can be interpreted as an atomic collapse phenomena similar to the instability of $Z>137$ superheavy atoms in QED [25]. Turn now to the consideration of an electron in graphene which interacts with an external charge. The two-dimensional Hamiltonian reads as, $H_{D}=v_{F}\sigma_{i}p^{i}+V(r),\qquad i=1,2.$ (25) The external charge creates a Coulomb potential, $V(r)=-\frac{\alpha}{r},\qquad r\geq R.$ (26) As we shall see, the solution in presence of the potential (26) oscillates indefinitely at the origin and needs to be regularized by some cutoff $R$. Hence close enough to the origin $r\leq R$ the potential (26) gets replaced by some constant potential $V_{reg}(r,\lambda(R))$. The renormalization condition for the $\lambda$ parameter is that the zero-energy wave function is not dependent on the short-distance regularization. This condition is chosen similarly to that of the renormalization of the Calogero system (see Section 2). Hence our primary task is to find the zero-energy solution to the Dirac equation, $H_{D}\psi_{0}=0.$ (27) Since the Hamiltonian commutes with the $J_{3}$ operator, $J_{3}=i\frac{\partial}{\partial\varphi}+\sigma_{3},\qquad\left[H_{D},J_{3}\right]=0,$ (28) we can look for the solutions of (27) in the form: $\psi_{0}=\begin{pmatrix}\chi_{0}(r)\\\ \xi_{0}(r)e^{i\varphi}\end{pmatrix},\qquad J_{3}\psi_{0}=\psi_{0}.$ (29) Then in polar coordinates the equation (27) reads as: $\left\\{\begin{array}[]{l}-i\hbar v_{F}\left(\partial_{r}+\frac{1}{r}\right)\xi_{0}=-V(r)\chi_{0},\\\ -i\hbar v_{F}\partial_{r}\chi_{0}=-V(r)\xi_{0},\end{array}\right.$ (30) which is equivalent to: $\left\\{\begin{array}[]{l}\xi_{0}(r)=i\hbar v_{F}(V(r))^{-1}{\partial_{r}\chi_{0}},\\\ \partial_{r}^{2}\chi_{0}+\left(\frac{1}{r}-\frac{V^{\prime}(r)}{V(r)}\right)\partial_{r}\chi_{0}+\frac{V^{2}(r)}{\hbar^{2}v_{F}^{2}}\chi_{0}=0.\end{array}\right.$ (31) For the potential $V=-\frac{\alpha}{r}$ we get the following equation on $\chi_{0}(r)$: $\partial_{r}^{2}\chi_{0}+\frac{2}{r}\partial_{r}\chi_{0}+\frac{\beta^{2}}{r^{2}}\chi_{0}=0,\qquad\beta=\frac{\alpha}{\hbar v_{F}}.$ (32) Supposing that $\beta^{2}=\frac{1}{4}+\nu^{2}$ we write the solution as: $\chi_{0}=\sqrt{r}\left(c_{-}\left(\frac{r}{r_{0}}\right)^{-i\nu}+c_{+}\left(\frac{r}{r_{0}}\right)^{i\nu}\right)\propto\sqrt{r}\sin\left(\nu\log\frac{r}{r_{0}}+\varphi\right).$ (33) We see that this solution shares the properties of the ground-state Calogero wavefunction (15), namely at nonzero $c_{\pm}$ it generates its own intrinsic length scale and it oscillates indeterminately at the origin. In order to fix the $\varphi$ constant we need to introduce a cut-off potential. Hence we consider the solution in the potential: $V(r)=\left\\{\begin{array}[]{l}-\frac{\alpha}{r},\qquad r>R,\\\ V_{reg}=-\hbar v_{F}\frac{\lambda}{R},\qquad r\leq R.\end{array}\right.$ (34) The dilatation operator acts on $\chi$ as following: $r\partial_{r}\chi_{0}=\left(\frac{1}{2}+\nu\cot\left(\nu\log\frac{r}{r_{0}}\right)\right)\chi_{0}.$ (35) For the constant potential $V_{reg}$ we get from $(\ref{Dechi})$: $\partial^{2}_{r}\chi_{0}^{reg}+\frac{1}{r}\partial_{r}\chi_{0}^{reg}+\frac{\lambda^{2}}{R^{2}}\chi_{0}^{reg}=0.$ (36) Choosing the solution of (36) which is regular at the origin we obtain, $\chi_{0}^{reg}\propto J_{0}\left(\lambda\frac{r}{R}\right).$ (37) Computing the action of the dilation operator on the solution in the area of constant potential and equating it to the action of the dilation operator (35) we get the equation on the $\lambda$ regulator parameter: $\frac{1}{2}+\nu\cot\left(\nu\log\left(\frac{R}{r_{0}}\right)\right)=-\lambda\frac{J_{1}(\lambda)}{J_{0}(\lambda)}.$ (38) The equation (38) defines $\lambda$ as a multi-valued function of $R$. The period of the RG flow corresponds to jump from one branch of the $\lambda(R)$ function to another. Now we proceed to find the bound states in the (26) potential. We consider again the Dirac equation, $H_{D}\psi_{\kappa}=-\hbar v_{F}\kappa\psi_{\kappa}.$ (39) Then the equation on $\chi$ analogous to (31) is as following: $\partial^{2}_{r}\chi_{\kappa}+\frac{2\beta-\kappa r}{\beta-\kappa r}\frac{1}{r}\partial_{r}\chi_{\kappa}+\left(\frac{\beta}{r}-\kappa\right)^{2}\chi_{\kappa}=0.$ (40) Asymptotically when $r\gg\frac{\beta}{\kappa}$ the solution of (40) regular at infinity is given by the Hankel function, $\chi_{\kappa}\propto H_{0}^{(1)}(i\kappa r).$ (41) At small $r\ll\frac{\beta}{\kappa}$ the solution is not regular at the origin, $\chi_{\kappa}\propto\sqrt{r}\sin\left(\nu\log\frac{r}{r_{0}}\right),$ (42) and we are again in need for the regulator potential. Solving again the Dirac equation (39) in presence of the constant potential $V_{reg}$ and computing the action of the dilatation operator, $r\partial_{r}\chi_{k}^{reg}=-\left(\lambda-\kappa R\right)\frac{J_{1}\left(\lambda-\kappa R\right)}{J_{0}\left(\lambda-\kappa R\right)}\chi_{\kappa}^{reg},$ (43) we can equate (43) to the action of the dilatation operator on (42) and get the equation on the spectrum of the bound states, $\frac{1}{2}+\nu\cot\left(\nu\log\left(\kappa R\right)\right)=-\left(\lambda-\kappa R\right)\frac{J_{1}\left(\lambda-\kappa R\right)}{J_{0}\left(\lambda-\kappa R\right)}.$ (44) This condition gives the spectrum of infinitely many shallow bound states, $\kappa_{n}=\kappa_{*}\exp\left(-\frac{\pi n}{\nu}\right),\qquad\kappa\to\infty.$ (45) ## 4 Anomaly in the ${\bf so}(2,1)$ algebra Let us make some comments on the algebraic counterpart of the phenomena considered following [9]. As we have mentioned the conformal symmetry is the main player since Hamiltonians under consideration are scale invariant before regularization. Actually this group can be thought of as the example of spectrum generating algebra when the Hamiltonian is one of the generators or is expressed in terms of the generators in a simple manner. This is familiar from the exactly or quasi-exactly solvable problems when the dimension of the representation selects the size of the algebraic part of the spectrum. Let us introduce the generators of the ${\bf so}(2,1)$ conformal algebra $J_{1},J_{2},J_{3}$: the Calogero Hamiltonian, $J_{1}=H=p^{2}+V(r),$ (46) the dilatation generator, $J_{2}=D=tH-\frac{1}{4}(pr+rp),$ (47) and the generator of special conformal transformation, $J_{3}=K=t^{2}H-\frac{t}{2}(pr+rp)+\frac{1}{2}r^{2}.$ (48) They satisfy the relations of the ${\bf so}(2,1)$ algebra: $[J_{2},J_{1}]=-iJ_{1},\qquad[J_{3},J_{1}]=-2iJ_{2},\qquad[J_{2},J_{3}]=iJ_{3}.$ (49) The singular behavior of the potential at the origin amounts to a kind of anomaly in the ${\bf so}(2,1)$ algebra, $A(r)=-i[D,H]+H,$ (50) which in $d$ space dimensions can be presented in the following form: $A(r)=-\frac{d-2}{2}V(r)+(r^{i}\nabla_{i})V(r).$ (51) The simple arguments imply the following relation $\frac{d}{dt}\langle D\rangle_{\mathrm{ground}}=E_{\mathrm{ground}},$ (52) where the matrix element is taken over the ground state. It turns out that (52) is fulfilled for the singular potentials in Calogero- like model or in models with contact potential, $V(r)=g\delta(r)$. The expression for anomaly does not depend on the regularization chosen. Moreover more detailed analysis demonstrates that the anomaly is proportional to the $\beta$-function of the coupling providing the UV regularization as can be expected. A similar calculation of the anomaly for the graphene case can be performed for arbitrary state, $\left\langle{\frac{dD}{dt}}\right\rangle_{\psi}=\braket{\Xi}_{\psi}=-\int d^{2}x\psi^{*}(V(x)+x_{i}\partial_{i}V(x))\psi,$ (53) which yields using square-well regularization: $\braket{\Xi}_{\psi}=\hbar v_{F}\frac{\lambda(R)}{R}\frac{\int\limits^{R}_{0}r|\psi|^{2}dr}{\int\limits^{\infty}_{0}r|\psi|^{2}dr}.$ (54) It is convenient to use the two-dimensional identity in (51), $\nabla\frac{\vec{r}}{r}=2\pi\delta(\vec{r}),$ (55) which simplifies the calculation of the anomaly for any normalized bound state, $\frac{d}{dt}\langle D\rangle_{\Psi}=-g\pi\int d^{2}r\delta(r)|\Psi(r)|^{2}.$ (56) ## 5 RG cycles in models of superconductivity In this Section we explain how the cyclic RG flows emerge in truncated models of superconductivity. To this aim we shall first describe the Richardson model and then consider its generalization to the RD model which enjoys the cyclic RG flow. These models are distinguished by the finiteness of the number of fermionic levels. The relation with the integrable many-body systems proves to be quite useful. ### 5.1 Richardson model versus Gaudin model Let us recall the truncated BCS-like Richardson model of superconductivity [26] with some number of doubly degenerated fermionic levels with the energies $\epsilon_{j\sigma},j=1,\dots,N$. It describes the system of a fixed number of the Cooper pairs. It is assumed that several energy levels are populated by Cooper pairs while levels with the single fermions are blocked. The Hamiltonian reads as $H_{BCS}=\sum_{j,\sigma=\pm}^{N}\epsilon_{j\sigma}c^{+}_{j\sigma}c_{j\sigma}-G\sum_{jk}c^{\dagger}_{j+}c^{\dagger}_{j-}c_{k-}c_{k+},$ (57) where $c_{j\sigma}$ are the fermion operators and $G$ is the coupling constant providing the attraction leading to the formation of the Cooper pairs. In terms of the hard-core boson operators it reads as $H_{BCS}=\sum_{j}\epsilon_{j}b^{\dagger}_{j}b_{j}-G\sum_{jk}b^{\dagger}_{j}b_{k},$ (58) where $[b^{\dagger}_{j},b_{k}]=\delta_{jk}(2N_{j}-1),\qquad b_{j}=c_{j-}c_{j+},\qquad N_{j}=b^{\dagger}_{j}b_{j}.$ (59) The eigenfunctions of the Hamiltonian can be written as, $|M\rangle=\prod_{i}^{M}B_{i}(E_{i})|\mathrm{vac}\rangle,\qquad B_{i}=\sum_{j}^{N}\frac{1}{\epsilon_{j}-E_{i}}b^{\dagger}_{j},$ (60) provided the Bethe ansatz equations are fulfilled, $G^{-1}=-\sum_{j}^{N}\frac{1}{\epsilon_{j}-E_{i}}+\sum_{j}^{M}\frac{2}{E_{j}-E_{i}}.$ (61) The energy of the corresponding states reads as: $E(M)=\sum_{i}E_{i}.$ (62) It was shown in [27] that the Richardson model is exactly solvable and closely related to the particular generalization of the Gaudin model. To describe this relation it is convenient to introduce the so-called pseudospin ${\bf sl}(2)$ algebra in terms of the creation-annihilation operators for the Cooper pairs, $t_{j}^{-}=b_{j},\qquad t_{j}^{+}=b^{\dagger}_{j},\qquad t^{0}_{j}=N_{j}-1/2.$ (63) The Richardson Hamiltonian commutes with the set of operators $R_{i}$, $R_{i}=-t^{0}_{i}-2G\sum^{N}_{j\neq i}\frac{t_{i}t_{j}}{\epsilon_{i}-\epsilon_{j}},$ (64) which are identified as the Gaudin Hamiltonians, $[H_{BCS},R_{j}]=[R_{i},R_{j}]=0.$ (65) Moreover the Richardson Hamiltonian itself can be expressed in terms of the operators $R_{i}$ as: $H_{BCS}=\sum_{i}\epsilon_{i}R_{i}+G\left(\sum R_{i}\right)^{2}+\mathrm{const}.$ (66) The number $N$ of the fermionic levels coincides with the number of sites in the Gaudin model and the coupling constant in the Richardson Hamiltonian corresponds to the ”twisted boundary condition” in the Gaudin model. The Bethe ansatz equations for the Richardson model (61) exactly coincide with the ones for the generalized Gaudin model. It was argued in [2] that the Bethe roots correspond to the excited Cooper pairs that is natural to think about the solution to the Baxter equation as the wave function of the condensate. In terms of the conformal field theory Cooper pairs correspond to the screening operators [28]. For the nontrivial degeneracies of the energy levels $d_{j}$ the BA equations read as: $G^{-1}=-\sum_{j}^{N}\frac{d_{j}}{\epsilon_{j}-E_{i}}+\sum_{j\neq i}^{M}\frac{2}{E_{j}-E_{i}}.$ (67) ### 5.2 Russian Doll model of superconductivity and twisted XXX spin chains The important generalization of the Richardson model describing superconductivity is the so-called RD model [2]. It involves the additional dimensionless parameter $\alpha$ and the RD Hamiltonian reads as: $H_{RD}=2\sum_{i}^{N}(\epsilon_{i}-G)N_{i}-\bar{G}\sum_{j<k}(e^{i\alpha}b^{+}_{k}b_{j}+e^{-i\alpha}b^{+}_{j}b_{k}),$ (68) with two dimensionful parameters $G,\eta$ and $\bar{G}=\sqrt{G^{2}+\eta^{2}}$. In terms of these variables the dimensionless parameter $\alpha$ has the following form: $\alpha=\arctan\left(\frac{\eta}{G}\right).$ (69) It is also useful to consider two dimensionless parameters $g,\theta$ defined as $G=gd$ and $\eta=\theta d$ where $d$ is the level spacing. The RD model reduces to the Richardson model in the limit $\eta\rightarrow 0$. The RD model turns out to be integrable as well. Now instead of the Gaudin model the proper counterpart is the generic quantum twisted XXX spin chain [29]. The transfer matrix of such spin chain model $t(u)$ commutes with the $H_{RD}$ which itself can be expressed in terms of the spin chain Hamiltonians. The equation defining the spectrum of the RD model reads as: $e^{2i\alpha}\prod_{l=1}^{N}\frac{E_{i}-\varepsilon_{l}+i\eta}{E_{i}-\varepsilon_{l}-i\eta}=\prod_{j\neq i}^{M}\frac{E_{i}-E_{j}+2i\eta}{E_{i}-E_{j}-2i\eta},$ (70) and coincides with the BA equations for the spin chain. Taking the logarithm of the both sides of the equation (70) we obtain: $\alpha+\pi Q_{i}+\sum_{l=1}^{N}\arctan\left(\frac{\eta}{E_{i}-\varepsilon_{l}}\right)-\sum_{j=1}^{M}\arctan\left(\frac{2\eta}{E_{i}-E_{j}}\right)=0.$ (71) Note that here we have added an arbitrary integer term to account for generically multivalued arctangent function. The RG step amounts to integrating out the $N$-th degree of freedom in the RD model, or equivalently to integrating out the $N$-th inhomogeneity in the XXX chain. This results into renormalization of the twist. From (71) it is easy to see that: $\arctan\left(\frac{\eta}{G_{N}}\right)-\arctan\left(\frac{\eta}{G_{N-1}}\right)=\sum_{i=1}^{M}\arctan\left(\frac{2\eta}{E_{i}-\varepsilon_{N}}\right).$ (72) When $M=1$ it implies that: $G_{N-1}-G_{N}=\frac{G_{N}^{2}+\eta^{2}}{\varepsilon_{N}-G_{N}-E},$ (73) which is a discrete version of the (1) equation. Of course the same relation can be derived from the RD Hamiltonian (68). If we consider the wavefunction $\psi=\sum_{i}^{N}\psi_{i}b_{i}^{\dagger}|0\rangle$, the Schrödinger equation for a state with one Cooper pair amounts to: $\left(\varepsilon_{i}-G-E\right)\psi_{i}=(G+i\eta)\sum_{j=1}^{i-1}\psi_{j}+(G-i\eta)\sum_{j=i+1}^{N}\psi_{j}.$ (74) Integration out the $N$-th degree of freedom amounts to expressing $\psi_{M}$ in terms of the other modes, $\psi_{N}=\frac{G+i\eta}{\varepsilon_{N}-G-E}\sum_{j=1}^{N-1}\psi_{j},$ (75) and substituting it back into the Schrödinger equation (74). The $G_{N-1}$ constant in the resulting equation will differ from the initial $G_{N}$ value as in (73). The key feature of the RD model is the multiple solutions to the gap equation. The gaps are parameterized as follows: $\Delta_{n}=\frac{\omega}{\sinh t_{n}},\qquad t_{n}=t_{0}+\frac{\pi n}{\theta},\qquad n=0,1,\dots,$ (76) where $t_{0}$ is the solution to the following equation: $\tan(\theta t_{0})=\frac{\theta}{g},\qquad 0<t_{0}<\frac{\pi}{\theta}.$ (77) and $\omega=dN$ for equal level spacing. Here $E^{2}=\varepsilon^{2}+|\Delta|^{2}$. This behavior can be derived via the mean field approximation [14]. The gap with minimal energy defines the ground state, and the other values of the gap describe excitations. In the limit $\theta\rightarrow 0$ the gaps $\Delta_{n>0}\rightarrow 0$ and $t_{0}=\frac{1}{g},\qquad\Delta_{0}=2\omega\exp\left(-\frac{1}{g}\right),$ (78) therefore the standard BCS expression for the gap is recovered. At the weak coupling limit the gaps behave as: $\Delta_{n}\propto\Delta_{0}e^{-\frac{n\pi}{\theta}}.$ (79) In terms of the solutions to the BA equations the multiple gaps correspond to the choices of the different branches of the logarithms, i.e. to different choices of the integer $Q$ parameter in (70). If the degeneracy of the levels is $d_{n}$ then the RD model gets modified a little bit and is related to the higher spin XXX spin chain. The local spins $s_{i}$ are determined by the corresponding higher pair degeneracy $d_{i}$ of the $i$-th level, $s_{i}=d_{i}/2,$ (80) and the corresponding BA equations read as: $e^{2i\alpha}\prod_{l=1}^{N}\frac{E_{i}-\varepsilon_{l}+id_{l}+i\eta}{E_{i}-\varepsilon_{l}-id_{l}-i\eta}=\prod_{j\neq i}^{M}\frac{E_{i}-E_{j}+2i\eta}{E_{i}-E_{j}-2i\eta}.$ (81) ### 5.3 Cyclic RG flows in the RD model The RD model of truncated superconductivity enjoys the cyclic RG behavior [2]. The RG flows can be treated as the integrating out the highest fermionic level with appropriate scaling of the parameters using the procedure developed in [1]. The RG equations read as (73): $g_{N-1}=g_{N}+\frac{1}{N}(g_{N}^{2}+\theta^{2}),\qquad\theta_{N-1}=\theta_{N}.$ (82) At large $N$ limit the natural RG variable is identified with $s=\log(N/N_{0})$ and the solution to the RG equation is: $g(s)=\theta\tan\left(\theta s+\tan^{-1}\left(\frac{g_{0}}{\theta}\right)\right).$ (83) Hence the running coupling is cyclic, $g(s+\lambda)=g(s),\qquad g(e^{-\lambda}N)=g(N),$ (84) with the RG period, $\lambda=\frac{\pi}{\theta},$ (85) and the total number of the independent gaps in the model is: $N_{cond}\propto\frac{\theta}{\pi}\log N.$ (86) The multiple gaps are the manifestations of the Efimov-like states. The sizes of the Cooper pairs in the $N$-th condensates also have the RD scaling. The cyclic RG can be derived even for the single Cooper pair. What is going on with the spectrum of the model during the period? It was shown in [14] that it gets reorganized. The RG flow experiences discontinuities from $g=+\infty$ to $g=-\infty$ when a new cycle gets started. At each jump the lowest condensate disappears from the spectrum, $\Delta_{N+1}(g=+\infty)=\Delta_{N}(g=-\infty),$ (87) indicating that the $(N+1)$-th state wave function plays the role of $N$-th state wave function at the next cycle (see (75)). The same behavior can be derived from the BA equation [14]. To identify the multiple gaps it is necessary to remind that the solutions to the BA equations are classified by the integers $Q_{i},i=1,\dots,M$ parameterizing the branches of the logarithms. If one assumes that $Q_{i}=Q$ for all Bethe roots then this quantum number gets shifted by one at each RG cycle and was identified with the integer parameterizing the solution to the gap equations, $\Delta_{Q}\propto\Delta_{0}\exp^{-\lambda Q}.$ (88) At the large $N$ limit the BA equations of the RD model reduce to the BA equation of the Richardson-Gaudin model with the rescaled coupling, $G_{Q}^{-1}=\eta^{-1}({\alpha}+\pi Q),$ (89) which can be treated as the shifted boundary condition in the generalized Gaudin model parameterized by an integer. Let us emphasize that the unusual cyclic RG behavior is due to the presence of two couplings in the RD model. ## 6 Triality in the integrable models and RG cycles | | | ---|---|---|--- RS modelQC duality$\scriptstyle{\begin{matrix}\text{non-relativistic}\\\ \text{limit}\end{matrix}}$XXX chain$\scriptstyle{\begin{matrix}\text{semiclassical}\\\ \text{limit}\end{matrix}}$RD modelCalogero systemQC dualityGaudin modelRichardson model Figure 1: Besides the triality shown on the picture, a bispectral duality acts on RS/Calogero and XXX/Gaudin sides of the correspondence. Being originated from three-dimensional mirror-symmetry [30], this duality interchanges coordinates with Lax eigenvalues in the classical systems, and inhomogeneities with twists in quantum ones. In this Section we summarize several dualities between the integrable models and consider the realizations of the cyclic RG flows in these systems. The question is motivated by the close relationship between the restricted BCS models and spin chains. Actually there are three different families of models related with each other by the particular identifications of phase spaces and parameters. The first family concerns the system of fermions (Richardson- Russian Doll) which develop superconducting gap. The second family involves the spin systems of twisted inhomogeneous Gaudin-XXX-XXZ type and their generalizations. The third family involves the Calogero-Ruijsenaars (CR) chain of the integrable many body systems. We look for the answers on the following questions * • What is the condition yielding the RG equation for some coupling in each family? * • What is the RG variable? * • What determines the period of the cycle? In the superconducting system at RG step one decouples the highest energy level and looks at the renormalization of the interaction coupling constant. The RG time is identified with the number of energy levels $t=\log N$. The period of RG is defined by the T-asymmetric parameter of RD model. In the spin chain model the RG step corresponds to the ”integrating out” one ”highest” inhomogeneity with the corresponding renormalization of the twist. The period of the RG flow is fixed by the Planck constant in the quantum spin chain. In the bispectral dual spin chain [33] one now ”integrates out” one of the twists and ”renormalizes” the inhomogeneity. Since the Planck constant gets inverted upon bispectrality $\hbar_{spin}\rightarrow\hbar_{spin}^{-1}$ the period of the RG cycle gets inverted as well. Note that the RG equation in the superconducting model can be mapped into BAE in the spin chain [14]. The condition yealding the RG equation corresponds to the independence of the Bethe root on the RG step. For two-body system with attractive rational potential one can define the RG condition as the continuity of the zero-energy wave function under the changing the cutoff scale at small $r$. This condition imposes the RG equation at the cutoff UV coupling constant. This RG equation has the cycle with the period $T_{Cal}=\frac{\pi}{\nu-\frac{1}{2}}.$ (90) as was shown in Section 2. The Quantum-Classical (QC) duality [30, 31] relates the quantum spin chain systems and the classical Calogero–type systems. Through the QC correspondence, the rational Gaudin model can be linked with the rational Calogero system spin chain inhomogeneities being the Calogero coordinates, and the twist in the spin chain (which is a single variable in our case) being the Lax matrix eigenvalue. It is also possible to make a bispectrality transformation of rational Calogero model, which interchanges Lax eigenvalues with coordinates. This means that now the Calogero coordinates correspond to the twists at the spin chain side. In this case the Calogero coupling gets inverted which means that the period of the RG cycle gets inverted as well. To consider the mapping of RG cycles in the Calogero system and the spin chain we need the generalization of QC duality to the quantum-quantum case. The spectral problem in Calogero model has been identified with the KZ equation involving the Gaudin Hamiltonian, $\frac{d}{dz_{i}}\Psi=H_{gaud}\Psi+\lambda\Psi.$ (91) Since we formulate RG condition on the Calogero side for the $E=0$ state, the inhomogeneous term in the KZ equation is absent. The simplest test of the mapping of the RG cycles under QQ duality concerns the identifications of the periods. On the spin chain side it is identified with the Planck constant while at the Calogero side the period is defined by the coupling constant. The following identification holds for QC duality [31]: $\hbar_{spin}=\nu,$ (92) which implies that the periods of the cycles at the Calogero and spin chain sides match. The Efimov-like tower in these families have the following interpretations. In the superconducting system it corresponds to the family of the gaps $\Delta_{n}$ with the Efimov scaling responsible of the scale symmetry broken down to the discrete subgroup. In the spin chain it corresponds to the different branches of the solutions to the BAE which can be also interpreted in terms of the allowed set of twists. Finally in the CR family it corresponds to the family of the shallow bound states near the continuum threshold. ## 7 RG cycles in $\Omega$-deformed SUSY gauge theories In this Section we shall explain how the RG flows in $\Omega$\- deformed SUSY gauge theories can be reformulated in terms of the brane moves. Why the very RG cycles could be expected in the deformed gauge theories? The answer is based on the identification of the quantum spin chains in one or another context in the SUSY gauge theory. Once such quantum spin chain has been found we can apply the results of the previous sections where the place of the RG cycles in the spin chain framework has been clarified. First, we shall briefly review the $\Omega$-deformation of the SUSY gauge theories. Then we make some general comments concerning the realization of the gauge theories as the worldvolume theories on $D$-branes to explain how the parameters of the gauge theory are identified with the brane coordinates. ### 7.1 Four-dimensional $\Omega$-deformed gauge theory The Bethe ansatz equations can be encountered not only in the models of superconductivity, but also in gauge theories. The quantum XXX spin chain governs the moduli space of vacua of an $\Omega$-deformed four-dimensional theory in the Nekrasov–Shatashvili limit, i.e. when one of the deformation is chosen to be zero: $\epsilon_{2}=0,\epsilon_{1}=\epsilon$ [35]. Since the quantum XXX spin chain displays a cyclic RG behaviour, as we have seen in the Section 5, it is interesting to identify this phenomenon in the four- dimensional gauge theory. Consider a four-dimensional $\mathcal{N}=2$ theory with matter hypermultiplet, which has a vanishing $\beta$-function, i.e. when $N_{f}=2N_{c}$. This theory is dual to a classical inhomogeneous twisted XXX chain, in a sense that the Seiberg-Witten curve for the gauge theory coincides with the spectral curve for the spin chain. The twist of the spin chain is identified with the modular parameter of the curve and with the complexified coupling of the gauge theory, the inhomogeneities of the spin chain get mapped into masses of the hypermultiplets. For more information on the correspondence between classical integrable systems and gauge theories the reader can consult [36]. The $\Omega$-deformation is introduced to regularize the instanton divergence in the partition function of the gauge theory [37]. We can consider the four- dimensional theory as a reduction of the six-dimensional $\mathcal{N}=1$ theory with metric: $ds^{2}=2dzd\bar{z}+\left(dx^{m}+\Omega^{mn}x_{n}d\bar{z}+\bar{\Omega}^{mn}x_{n}dz\right)^{2},\qquad m=1,\ldots,4,$ (93) i.e. we can consider the theory on a four-dimensional space, fibered over a two-dimensional torus. One can imagine the $\epsilon_{1,2}$ deformation parameters as chemical potentials for the rotations in two orthogonal planes in four-dimensional Euclidean space. One can also think that the Euclidean $\mathbb{R}^{4}$ space gets substituted by a sphere $S^{4}$ with finite volume. The non-trivial $\Omega$-deformation modifies the correspondence between gauge theories and integrable systems. Namely, in the Nekrasov-Shatashvili limit the $\Omega$-deformed gauge theory corresponds to a quantum XXX spin chain with $\epsilon$ playing the role of the Planck constant [35]. This deformed gauge theory also appears to be dual to the two-dimensional effective theory on a worldsheet of a non-abelian string [39]. Consider $\Omega$-deformed $\mathcal{N}=2$ SQCD with $SU(L)$ gauge group, $L$ fundamental hypermultiplets with masses $m^{f}_{i}$ and $L$ antifundamental hypermultiplets with masses $m^{af}_{i}$. Let us denote the set of the eigenvalues of the adjoint scalar in the vector multiplet by $\vec{a}$. We can expand the deformed partition function around $\epsilon=0$ to identify the prepotential and effective twisted superpotential, $\log\mathcal{Z}\left(\vec{a},\epsilon_{1},\epsilon_{2}\right)\sim\frac{1}{\epsilon_{1}\epsilon_{2}}\mathcal{F}(\vec{a},\epsilon)+\frac{1}{\epsilon_{2}}\mathcal{W}(\vec{a},\epsilon).$ (94) The effective twisted superpotential is a multivalued function, with the branch fixed by the set of integers $\vec{k}$: $\mathcal{W}(\vec{a},\epsilon)=\frac{1}{\epsilon}\mathcal{F}(\vec{a},\epsilon)-2\pi i\vec{k}\cdot\vec{a},\qquad\vec{k}\in\mathbb{Z}^{L}.$ (95) The equation on vacua, $\frac{\partial\mathcal{W}(\vec{a},\epsilon)}{\partial\vec{a}}=\vec{n},\qquad\vec{n}\in\mathbb{Z}^{L},$ (96) provides the condition on $\vec{a}$, $\vec{a}=\vec{m}^{f}-\epsilon\vec{n}.$ (97) This theory admits the existence of non-abelian strings probing the four- dimensional space-time. The two-dimensional worldsheet theory of the non- abelian string involves $L$ fundamental chiral multiplets with twisted masses $M^{F}_{i}$ and $L$ antifundamental multiplets with twisted masses $M^{AF}_{i}$, which are identified as: $M^{F}_{i}=m^{f}_{i}-\frac{3}{2}\epsilon,\qquad M^{AF}_{i}=m^{af}_{i}+\frac{1}{2}\epsilon.$ (98) The two-dimensional theory also contains an adjoint chiral multiplet with mass $\epsilon$. The rank of the gauge group $N$ (or equivalently the number of non-abelian strings) is given in terms of $\vec{n}$ vector by the relation: $N+L=\sum_{l=1}^{L}n_{l}.$ (99) The modular parameters of the four-dimensional and the two-dimensional theories are related as: $\tau_{2d}=\tau_{4d}+\frac{1}{2}(N+1).$ (100) The effective twisted worldsheet superpotential is given in terms of the four- dimensional superpotential: $\mathcal{W}_{4d}\left(a_{i}=m^{f}_{i}-\epsilon n_{i},\epsilon\right)-\mathcal{W}_{4d}\left(a_{i}=m^{f}_{i}-\epsilon,\epsilon\right)=\mathcal{W}_{2d}\left(\\{n_{i}\\}\right).$ (101) The two-dimensional superpotential depends on the set of eigenvalues of the adjoint scalar in vector representation $\lambda_{i}$, $i=1,\ldots,N$. The set of equations $\partial\mathcal{W}_{2d}/\partial\lambda=0$ appears to be equivalent to the Bethe ansatz equations for the XXX spin chain: $\prod_{l=1}^{L}\left(\frac{\lambda_{j}-M^{F}_{l}}{\lambda_{j}-M^{AF}_{l}}\right)=\exp\left(2\pi i\tau_{4d}\right)\prod_{k\neq j}^{N}\left(\frac{\lambda_{j}-\lambda_{k}-\epsilon}{\lambda_{j}-\lambda_{k}+\epsilon}\right).$ (102) The Planck constant in the spin chain is identified with the $\epsilon$ deformation parameter. The complexified coupling parameter plays the role of twist in the spin chain. The renormalization of the spin chain amounts to decoupling of one fundamental and one anti-fundamental chiral multiplet. In the four-dimensional theory it corresponds to the decrease of the number of flavors $N_{f}\to N_{f}-2$ simultaneously with reducing the rank of the gauge group $N_{c}\to N_{c}-1$. Therefore the theory remains conformal. The renormalization of the coupling constant analogous to (73) derived from the relation (102) for $N=1$ is: $\exp\left(2\pi i(\tau_{L}-\tau_{L-1})\right)=\frac{\lambda-M^{F}_{L}}{\lambda-M^{AF}_{L}}.$ (103) If we choose the masses to be equidistant with spacing $\delta m$, the change in the coupling constant during one step of RG flow is: $\exp\left(2\pi i(\tau_{L}-\tau_{L-1})\right)\propto\frac{\epsilon}{\delta m}.$ (104) Hence a number of nonperturbative scales emerges in a theory, analogously to the generation of the Efimov scaling in the Calogero model. These scales correspond to multiple gaps in the superconducting model: $\Delta_{n}\propto\Delta_{0}\exp\left(-\frac{\pi n\delta m}{\epsilon}\right).$ (105) Note that the emergence of cyclic RG evolution is a feature caused by the $\Omega$-deformation, since in a non-deformed theory a decoupling of the heavy flavor does not lead to any cyclic dynamics. ### 7.2 $3d$ gauge theories and theories on the brane worldvolumes Let us briefly explain the main points concerning the geometrical engineering of the gauge theories on the $D$-branes suggesting the reader to consult the details in the review paper [40]. The $Dp$ brane is the $(p+1)$-dimensional hypersurface in the ten-dimensional space-time which supports the $U(1)$ gauge field. This feature provides the possibility to built up the gauge theories with the desired properties. Let us summarize the key elements of the ”building procedure”. * • A stack of coinciding $N$ $D$-branes supports $U(N)$ gauge theory with the maximal supersymmetry. * • Displacing some branes from the stack in the transverse direction corresponds to the Higgs mechanism in the $U(N)$ gauge theory and the distance between branes corresponds to the Higgs vev. * • To reduce the SUSY one imposes some boundary conditions at some coordinates using other types of branes or rotates some branes. * • All geometrical characteristics of the brane configurations have the meaning of parameters of the gauge theory like couplings or vevs of some operators in the gauge theory on their worldvolumes. * • If we move some brane through another one the brane of smaller dimension could be created. The Hanany-Witten move is the simplest example (see fig. 2). * • Since generically we have branes of different dimensions in the configuration, for example, $N$ $D2$ branes and $M$ $D4$ branes we have simultaneously $U(N)$ 2+1 dimensional gauge theory and $U(M)$ dimensional 4+1 dimensional theory on the brane worldvolumes. These theories coexist simultaneously hence there is highly nontrivial interplay between two gauge theories. Figure 2: Hanany-Witten move. Here vertical lines are $NS5$ branes, horizontal lines are $D3$ branes, and circles are $D5$ branes. When a $D5$ brane is moved through a sequence of $NS5$ branes the linking number between them is conserved hence additional $D3$ branes appear. Let us explain now how these brane rules can be used to engineer the gauge theories which are related with the quantum spin chains. Our main example is a $3d$ $\mathcal{N}=2$ quiver gauge theory. The brane configuration relevant for this theory is built as follows. We have $M$ parallel $NS5$ branes extended in $(012456)$, $N_{i}$ $D3$ branes extended in $(0123)$ between $i$-th and $(i+1)$-th $NS5$ branes, and $M_{i}$ $D5$ branes extended in $(012789)$ between $i$-th and $(i+1)$-th $NS5$ branes (see table 3). From this brane configuration we obtain the $\prod_{i}^{M}U(N_{i})$ gauge group on the $D3$ branes worldvolume with $M_{i}$ fundamentals for the $i$-th gauge group. The distances between the $i$-th and $(i+1)$-th $NS5$ branes yield the complexified gauge coupling for $U(N_{i})$ gauge group while the coordinates of the $D5$ branes in the $(45)$ plane correspond to the masses of fundamentals. The positions of the $D3$ branes on $(45)$ plane correspond to the coordinates on the Coulomb branch in the quiver theory. The additional $\Omega$ deformation reduces the theory with $\mathcal{N}=4$ SUSY to the $\mathcal{N}=2^{*}$ theory, i.e. an $\mathcal{N}=2$ theory with massive adjoint. It is identified as $3d$ gauge theory when the distance between $NS5$ is assumed to be small enough. We assume that one coordinate is compact that is the theory lives on $\mathbb{R}^{2}\times S^{1}$. | 0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 ---|---|---|---|---|---|---|---|---|---|--- D3 | $\times$ | $\times$ | $\times$ | $\times$ | | | | | | NS5 | $\times$ | $\times$ | $\times$ | | $\times$ | $\times$ | $\times$ | | | D5 | $\times$ | $\times$ | $\times$ | | | | | $\times$ | $\times$ | $\times$ Figure 3: Brane construction of the $3d$ quiver theory. The mapping of the gauge theory data into the integrability framework goes as follows. In the NS limit of the $\Omega$-deformation the twisted superpotential in $3d$ gauge theory on the $D3$ branes gets mapped into the Yang-Yang function for the $XXZ$ chain [35]. The minimization of the superpotential yields the equations describing the supersymmetric vacua and in the same time they are the Bethe ansatz equations for the $XXZ$ spin chain, generally speaking the nested Bethe ansatz equations. That is $D3$ branes are identified with the Bethe roots which are distributed according to the ranks of the gauge groups at each of $M$ steps of nesting $\prod_{i}^{M}U(N_{i})$. The positions of the $D5$ branes in the $(45)$ plane correspond to the inhomogeneities in the $XXZ$ spin chain. The anisotropy of the $XXZ$ chain is defined by the radius of the compact dimensions while the parameter of the $\Omega$ deformation plays the role of the Planck constant in the $XXZ$ spin chain. At small radius the XXZ spin chain turns to the XXX spin chain. The twists in the spin chain correspond to the coordinates of the $NS5$ branes in the (78) plane, and the Fayet–Iliopoulos parameters in the three-dimensional theory [30]. One step of the RG flow corresponds to elimination of one inhomogeneity in the spin chain resulting in renormalization of the twists. In the three- dimensional theory this means that the integration of one massive flavor leads to the renormalization of the FI parameters. In terms of the transformations of the brane configurations this process receives transparent geometrical interpretation: * • The RG step is the removing of one $D5$ brane which amounts to the renormalization of the position of $NS5$ branes or twists. * • The period of the RG cycle is fixed by the number of $NS5$ branes [34], since it was identified with the Planck constant in the spin chain. * • At some scale the twists flow from $+\infty$ to $-\infty$. ## 8 Conclusion Are there any general lessons which we could learn for the quantum field theory from the very existence of the cyclic RG flows? The most important point is that there is some fine structure at the UV scale which is reflected in the Efimov tower with the BKT scaling behavior. Moreover the cyclic flows imply the interplay between the UV and IR cutoffs in the theory which usually was attributed to the noncommutative theory. This mixing presumably could shed the additional light on the dimensional transmutation phenomena in the field theory and provide the examples for the simultaneous generation of the multiple scales. The presence of two parameters in RG is quite common however probably some additional properties of these parameters are required. In particular in many (although not all) examples the period of the cycle is fixed by the “filling fraction” in some external field which could be magnetic field or parameter of $\Omega$ background. The latter has the meaning of the Planck constant in the auxiliary finite dimensional integrable model. This could suggest that the very issue can be formulated purely in terms of the quantum phase space since the Planck constant can be interpreted as the external field applied to the classical phase space. Actually we could expect the relation of RG cycles with some refinement of the path integral in quantum mechanics. As an aside remark note that the attempt to get the rigorous mathematical formulation of the renormalization of the QFT leaded to the motivic generalization of the path integral. It corresponds to some fine structure at the regulator scale which has some similarities with the discussion above. The RG cycle in the quantum rational Calogero model implies the intimate relation with the knot theory since the knot invariants at the rational Calogero coupling are the characteristics of the Calogero spectrum (cf. [34]). As we already mentioned, cyclic renormalization dynamics is connected with BKT–pairing of partons in two-dimensional model. One could wonder whether this connection is universal. One four-dimensional example of such pairing has to be mentioned. It is bion condensation in 3+1 dimensions. The RG analysis of the model involving the gas of bions and electrically charged W-bosons has been considered in [42] where the RG flows involves the fugacities for electric and magnetic components and the coupling constant. The coupled set of the RG equations has been solved explicitly in the self-dual case and the solution to the RG equations for the fugacities obtained in [42] is identical to the solution for the coupling in the RD model upon the analytic continuation. The period of the RG in the solution above is fixed by the RG invariant which has been identified with the product of the UV values of the electric and magnetic fugacities $y_{e}\times y_{m}$. The similarity between the RG behavior is not accidental since the mapping of the gauge theory and the perturbed XY model has been found in [42]. 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arxiv-papers
2014-02-11T10:30:24
2024-09-04T02:49:58.046620
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "K. Bulycheva, A. Gorsky", "submitter": "Ksenia Bulycheva", "url": "https://arxiv.org/abs/1402.2431" }
1402.2497
# Generalized Monge-Ampère Capacities E. Di Nezza Institut Mathématiques de Toulouse Université Paul Sabatier 31062 Toulouse France [email protected] and Chinh H. Lu Chalmers University of Technology Mathematical Sciences 412 96 Gothenburg Sweden [email protected] (Date: The authors are partially supported by the french ANR project MACK) ###### Abstract. We study various capacities on compact Kähler manifolds which generalize the Bedford-Taylor Monge-Ampère capacity. We then use these capacities to study the existence and the regularity of solutions of complex Monge-Ampère equations. ###### Contents 1. 1 Introduction 2. 2 Generalized Monge-Ampère Capacities 1. 2.1 Energy classes 2. 2.2 The $(\varphi,\psi)$-Capacity 3. 2.3 Proof of Theorem A 3. 3 Another proof of the Domination Principle 4. 4 Applications to Complex Monge-Ampère equations 1. 4.1 Proof of Theorem B 2. 4.2 (Non) Existence of solutions 3. 4.3 Proof of Theorem C 4. 4.4 Non Integrable densities 5. 4.5 The case of semipositive and big classes 6. 4.6 Critical Integrability ## 1\. Introduction Let $(X,\omega)$ be a compact Kähler manifold of complex dimension $n$ and let $D$ be an arbitrary divisor on $X$. Consider the complex Monge-Ampère equation (1.1) $(\omega+dd^{c}\varphi)^{n}=f\omega^{n},$ where $0\leq f\in L^{1}(X)$ is such that $\int_{X}f\omega^{n}=\int_{X}\omega^{n}$. It follows from [20] and [16] that equation (1.1) has a unique normalized solution in the finite energy class $\mathcal{E}(X,\omega)$. We say that the solution $\varphi$ is normalized if $\sup_{X}\varphi=0$. If $f$ is strictly positive and smooth on $X$, we know from the seminal paper of Yau [24] that the solution is also smooth on $X$. Recall that this solves in particular the Calabi conjecture and allows to construct Ricci flat metrics on $X$ whenever $c_{1}(X)=0$. Given $f$ positive and smooth on $X\setminus D$, it is natural to investigate the regularity of the solution. In [15] we have proved in many cases that the solution $\varphi$ is smooth in $X\setminus D$. As in the classical case of Yau [24], the most difficult step is to establish an a priori $\mathcal{C}^{0}$-estimate. This estimate is much more difficult in our situation since in general the solution is not globally bounded. A natural idea is to bound the normalized solution from below by a singular quasi plurisubharmonic function (qpsh for short). This is where generalized Monge-Ampère capacities play a crucial role. We recall the notion of the classical capacity ${\rm Cap}_{\omega}$ introduced and studied in [22] and [19]: ${\rm Cap}_{\omega}(E)=\sup\left\\{\int_{E}(\omega+dd^{c}u)^{n}\ \ \big{|}\ \ u\in{\rm PSH}(X,\omega),\ -1\leq u\leq 0\right\\},\ E\subset X.$ A strong comparison between the Lebesgue measure and ${\rm Cap}_{\omega}$, as is needed in a celebrated method due to Kołodziej [21], does not hold in our setting. We therefore study other capacities to provide an a priori $\mathcal{C}^{0}$-estimate. In dealing with complex Monge-Ampère equations in quasiprojective varieties we were naturally lead to work with generalized capacities of type ${\rm Cap}_{\psi-1,\psi}$ in [15] (see below for their definition). In this paper, we make a systematic study of these capacities as well as the more general ${\rm Cap}_{\varphi,\psi}$ capacities: let $\varphi,\psi$ be two $\omega$-plurisubharmonic functions on $X$ such that $\varphi<\psi$ on $X$ modulo possibly a pluripolar set. The $(\varphi,\psi)$-Capacity of a Borel subset $E\subset X$ is defined by ${\rm Cap}_{\varphi,\psi}(E):=\sup\left\\{\int_{E}(\omega+dd^{c}u)^{n}\ \ \big{|}\ \ u\in{\rm PSH}(X,\omega),\ \varphi\leq u\leq\psi\right\\}.$ Here, for a $\omega$-psh function $u$, $(\omega+dd^{c}u)^{n}$ is the non- pluripolar Monge-Ampère measure of $u$. See Section 2 for the definition. When $\varphi\equiv\psi-1$, we drop the index $\varphi$ and denote the $(\psi-1,\psi)$-Capacity by ${\rm Cap}_{\psi}$, ${\rm Cap}_{\psi}:={\rm Cap}_{\psi-1,\psi}.$ This is exactly the generalized capacity used in our previous paper [15]. If moreover $\psi$ is constant, $\psi\equiv C$, we recover the Monge-Ampère capacity defined above ${\rm Cap}_{C}={\rm Cap}_{\omega}.$ Given any subset $E\subset X,$ we define the outer $(\varphi,\psi)$-capacity of $E$ by ${\rm Cap}_{\varphi,\psi}^{*}(E):=\inf\left\\{{\rm Cap}_{\varphi,\psi}(U)\ \big{|}\ U\ \text{is an open subset of }X,\ E\subset U\right\\}.$ We say that the $(\varphi,\psi)$-capacity characterizes pluripolar sets on $X$ if for any subset $E\subset X$, the following holds ${\rm Cap}_{\varphi,\psi}^{*}(E)=0\Longleftrightarrow\ \text{E is a pluripolar subset of}\ X.$ If $E\subset X$ is a Borel subset we set $h_{\varphi,\psi,E}(x):=\sup\left\\{u(x)\ \big{|}\ u\in{\rm PSH}(X,\omega),u\leq\psi\ {\rm on}\ X,\ u\leq\varphi\;\text{q.e.}\ E\right\\}.$ Here, quasi everywhere (q.e. for short) means outside a pluripolar set. Let $h_{\varphi,\psi,E}^{*}$ be its upper semicontinuous regularization which we call the $(\varphi,\psi)$-extremal function of $E$. We establish a useful characterization of the $(\varphi,\psi)$-capacity in terms of the relative extremal function for any subset. When $\varphi$ belong to the finite energy class $\mathcal{E}(X,\omega)$ we can bound ${\rm Cap}_{\varphi,\psi}$ by $F({\rm Cap}_{\omega})$ for some positive function $F$ which vanishes at $0$. This uniform control turns out to be very useful in studying convergence of the complex Monge-Ampère operator since it allows us to replace quasi-continuous functions by continuous ones without affecting the final result. We also prove that the generalized Monge- Ampère capacity ${\rm Cap}_{\varphi,\psi}$ characterizes pluripolar sets when the lower weight is in $\mathcal{E}(X,\omega)$: Theorem A. Assume that $\varphi\in\mathcal{E}(X,\omega)$ and $\psi\in{\rm PSH}(X,\omega)$ such that $\varphi<\psi$ modulo a pluripolar subset. * (i) Let $E\subset X$ be a Borel subset of $X$, and denote by $h_{E}$ the $(\varphi,\psi)$-extremal function of $E$. The outer $(\varphi,\psi)$-capacity of $E$ is given by ${\rm Cap}_{\varphi,\psi}^{*}(E)=\int_{\\{h_{E}<\varphi\\}}\mathrm{MA}\,(h_{E})=\int_{X}\left(\frac{-h_{E}+\psi}{-\varphi+\psi}\right)\mathrm{MA}\,(h_{E}),$ where $h_{E}:=h^{*}_{\varphi,\psi,E}$ is the $(\varphi,\psi)$-extremal function of $E$. * (ii) There exists a function $F:\mathbb{R}^{+}\to\mathbb{R}^{+}$ such that $\lim_{t\to 0^{+}}F(t)=0$ and such that for all Borel subset $E$, ${\rm Cap}_{\varphi,\psi}(E)\leq F({\rm Cap}_{\omega}(E)).$ * (iii) ${\rm Cap}_{\varphi,\psi}$ characterizes pluripolar sets. We stress that the function $F$ in $(ii)$ is quite explicit (see Theorem 2.9). As we have underlined, these generalized capacities play an important role in studying complex Monge-Ampère equations on quasi-projective varieties (see [15]). We give in the second part of this paper several other applications. We consider the following complex Monge-Ampère equation (1.2) $(\omega+dd^{c}\varphi)^{n}=e^{\lambda\varphi}f\omega^{n},\ \lambda\in\mathbb{R}.$ Assume that $0<f\in\mathcal{C}^{\infty}(X\setminus D)$ satisfies Condition $\mathcal{H}_{f}$, i.e. $f$ can be written as $f=e^{\psi^{+}-\psi^{-}},\ \ \psi^{\pm}\ {\rm are\ quasi\ psh\ functions\ on}\ X\ ,\ \psi^{-}\in L^{\infty}_{\rm loc}(X\setminus D).$ When $\lambda=0$ and $f$ satisfies $\int_{X}f\omega^{n}=\int_{X}\omega^{n}$, we proved in [15] that there is a unique normalized solution in $\mathcal{E}(X,\omega)$ which is smooth on $X\setminus D$. When $\lambda>0$ and $\int_{X}f\omega^{n}<+\infty$ the same result holds since the $\mathcal{C}^{0}$ estimate follows easily from the comparison principle. Consider now the case when $\lambda<0$. In this case solutions do not always exist and when they do, there may be many of them. Our result here says that any solution in $\mathcal{E}(X,\omega)$ (if exists) is smooth on $X\setminus D$. Theorem B. Let $0<f\in\mathcal{C}^{\infty}(X\setminus D)\cap L^{1}(X)$. Assume that $f$ satisfies Condition $\mathcal{H}_{f}$ and $\varphi\in\mathcal{E}(X,\omega)$ is a solution of $(\omega+dd^{c}\varphi)^{n}=e^{\lambda\varphi}f\omega^{n},\ \lambda<0.$ Then $\varphi$ is smooth on $X\setminus D$. Note that when $\lambda<0$ and equation (1.2) has a solution in $\mathcal{E}(X,\omega)$, the measure $\mu=f\omega^{n}$ is dominated by $\mathrm{MA}\,(u)$ for some $u\in{\rm PSH}(X,\omega)\cap L^{\infty}(X)$. In particular, $f\in L^{1}(X)$. We next investigate the case when $\lambda>0$ and $f$ is not integrable on $X$. Of course solutions do not always exist. But observe that when $\varphi$ is singular enough $e^{\varphi}f$ will be integrable on $X$ and it is then reasonable to find a solution. For example, one can look at densities of the type $f\simeq\frac{1}{|s|^{2}},$ which is not integrable. Here $s$ is a holomorphic section of the line bundle associated to $D$. Such densities have been considered by Berman and Guenancia in their study of the compactification of the moduli space of canonically polarized manifolds [5]. They have shown that there exists a unique solution $\varphi\in\mathcal{E}(X,\omega)$ which is smooth in $X\setminus D$. As another application of the generalized Monge-Ampère capacities we show in the following result that in a general context whenever a solution in $\mathcal{E}(X,\omega)$ exists it is smooth outside $D$. Theorem C. Assume $0<f\in\mathcal{C}^{\infty}(X\setminus D)$ satisfies Condition $\mathcal{H}_{f}$. If the equation $(\omega+dd^{c}\varphi)^{n}=e^{\lambda\varphi}f\omega^{n},\ \lambda>0$ admits a solution $\varphi\in\mathcal{E}(X,\omega)$ then $\varphi$ is smooth on $X\setminus D$. Let us stress that in Theorem C we do not assume that $\int_{X}f\omega^{n}<+\infty$. It turns out that the existence of solutions in $\mathcal{E}(X,\omega)$ is equivalent to the existence of subsolutions in this class, these are easy to construct in concrete situations (see Example 4.7). We also obtain a similar result in the case of semipositive and big classes (see Theorem 4.8 and Example 4.9). Finally we use generalized capacitites to study the critical integrability of a given $\phi\in{\rm PSH}(X,\omega)$. Theorem D. Let $\phi\in{\rm PSH}(X,\omega)$ and $\alpha=\alpha(\phi)\in(0,+\infty)$ be the canonical threshold of $\phi$, i.e. $\alpha=\alpha(\phi):=\sup\\{t>0\ \ \big{|}\ \ e^{-t\phi}\in L^{1}(X)\\}.$ Then there exists $u\in{\rm PSH}(X,\omega)$ with zero Lelong number at all points such that $e^{u-\alpha\phi}$ is integrable. Moreover, there exists a unique $\varphi\in\mathcal{E}(X,\omega)$ such that $(\omega+dd^{c}\varphi)^{n}=e^{\varphi-\alpha\phi}\omega^{n}.$ It turns out that one can even chose $u=\chi\circ\phi$ in $\mathcal{E}(X,\omega)$, as an explicit function of $\phi$ with attenuated singularities (see Theorem 4.10). The paper is organized as follows. In section 2 we recall some known facts on energy classes, we introduce generalized capacities on compact Kähler manifolds and prove Theorem A. As an application of the generalized capacities we give another proof of the domination principle in $\mathcal{E}(X,\omega)$ in Section 3. In Section 4 we use generalized capacities to study complex Monge-Ampère equations as (1.2). The proof of Theorem D will be given in Section 4 as well. Acknowledgements. We would like to thank Vincent Guedj and Ahmed Zeriahi for constant help, many suggestions and encouragements. We also thank Robert Berman and Bo Berndtsson for useful discussions. We are indebted to Henri Guenancia for a careful reading and very useful comments on a previous draft version of this paper. ## 2\. Generalized Monge-Ampère Capacities Let $(X,\omega)$ be a compact Kähler manifold of complex dimension $n$. In this section we prove some basic properties of the $(\varphi,\psi)$-capacity and of the relative $(\varphi,\psi)$-extremal functions. ### 2.1. Energy classes ###### Definition 2.1. We let ${\rm PSH}(X,\omega)$ denote the class of $\omega$-plurisubharmonic functions ($\omega$-psh for short) on $X$, i.e. the class of functions $\varphi$ such that locally $\varphi=\rho+u$, where $\rho$ is a local potential of $\omega$ and $u$ is a plurisubharmonic function. Let $\varphi$ be some unbounded $\omega$-psh function on $X$ and consider $\varphi_{j}:=\max(\varphi,-j)$ the ”canonical approximants”. It has been shown in [20] that ${\bf 1}_{\\{\varphi_{j}>-j\\}}(\omega+dd^{c}\varphi_{j})^{n}$ is a non-decreasing sequence of Borel measures. We denote its limit by $\mathrm{MA}\,(\varphi)=(\omega+dd^{c}\varphi)^{n}:=\lim_{j\to+\infty}{\bf 1}_{\\{\varphi_{j}>-j\\}}(\omega+dd^{c}\varphi_{j})^{n}.$ ###### Definition 2.2. We denote by $\mathcal{E}(X,\omega)$ the set of $\omega$-psh functions having full Monge-Ampère mass: $\mathcal{E}(X,\omega):=\left\\{\varphi\in{\rm PSH}(X,\omega)\ \ \big{|}\ \ \int_{X}\mathrm{MA}\,(\varphi)=\int_{X}\omega^{n}\right\\}.$ Let us stress that $\omega$-psh functions with full Monge-Ampère mass have mild singularities. In particular, any $\varphi\in\mathcal{E}(X,\omega)$ has zero Lelong numbers $\nu(\varphi,\cdot)=0$ (see [20, Corollary 1.8]). We also recall that, for every $\varphi\in\mathcal{E}(X,\omega)$ and any $\psi\in{\rm PSH}(X,\omega)$, the _generalized comparison principle_ is valid, namely $\int_{\\{\varphi<\psi\\}}(\omega+dd^{c}\psi)^{n}\leq\int_{\\{\varphi<\psi\\}}(\omega+dd^{c}\varphi)^{n}.$ ###### Definition 2.3. Let $\chi:\mathbb{R}^{-}\to\mathbb{R}^{-}$ be an increasing function such that $\chi(0)=0$ and $\chi(-\infty)=-\infty$. We denote by $\mathcal{E}_{\chi}(X,\omega)$ the class of $\omega$-psh functions having finite $\chi$-energy: $\mathcal{E}_{\chi}(X,\omega):=\left\\{\varphi\in\mathcal{E}(X,\omega)\;\,|\;\,\chi(-|\varphi|)\in L^{1}(\mathrm{MA}\,(\varphi))\right\\}.$ For $p>0$, we use the notation ${\mathcal{E}}^{p}(X,\omega):=\mathcal{E}_{\chi}(X,\omega),\text{ when }\chi(t)=-(-t)^{p}.$ ### 2.2. The $(\varphi,\psi)$-Capacity In this subsection we always assume that $\varphi,\psi\in{\rm PSH}(X,\omega)$ are such that $\varphi<\psi$ quasi everywhere on $X$. The $(\varphi,\psi)$-capacity of a Borel subset $E\subset X$ is defined by ${\rm Cap}_{\varphi,\psi}(E):=\sup\left\\{\int_{E}\mathrm{MA}\,(u)\ \ \big{|}\ \ u\in{\rm PSH}(X,\omega),\ \varphi\leq u\leq\psi\right\\}.$ When $\varphi\equiv\psi-1$, to simplify the notation we simply denote ${\rm Cap}_{\psi}:={\rm Cap}_{\psi-1,\psi}.$ If moreover $\psi\equiv C$ is constant we recover the Monge-Ampère capacity introduced in [2], [22], [19]. The following properties of the $(\varphi,\psi)$-Capacity follow straightforward from the definition. ###### Proposition 2.4. (i) If $E_{1}\subset E_{2}\subset X$ then ${\rm Cap}_{\varphi,\psi}(E_{1})\leq{\rm Cap}_{\varphi,\psi}(E_{2})$ . (ii) If $E_{1},E_{2},\cdots$ are Borel subsets of $X$ then ${\rm Cap}_{\varphi,\psi}\left(\bigcup_{j=1}^{\infty}E_{j}\right)\leq\sum_{j=1}^{+\infty}{\rm Cap}_{\varphi,\psi}(E_{j}).$ (iii) If $E_{1}\subset E_{2}\subset\cdots$ are Borel subsets of $X$ then ${\rm Cap}_{\varphi,\psi}\left(\bigcup_{j=1}^{\infty}E_{j}\right)=\lim_{j\to+\infty}{\rm Cap}_{\varphi,\psi}(E_{j}).$ The outer $(\varphi,\psi)$-capacity of $E$ is defined by ${\rm Cap}_{\varphi,\psi}^{*}(E):=\inf\left\\{{\rm Cap}_{\varphi,\psi}(U)\ \big{|}\ U\ \text{is an open subset of }X,\ E\subset U\right\\}.$ We say that the $(\varphi,\psi)$-capacity characterizes pluripolar sets on $X$ if for any subset $E\subset X$, the following holds ${\rm Cap}_{\varphi,\psi}^{*}(E)=0\Longleftrightarrow\ \text{E is a pluripolar subset of}\ X.$ ###### Definition 2.5. If $E\subset X$ is a Borel subset we set $h_{\varphi,\psi,E}:=\sup\left\\{u\in{\rm PSH}(X,\omega),\ u\leq\varphi\ \text{quasi\ everywhere\ on}\ E,u\leq\psi\ \text{on}\ X\right\\},$ where ”quasi everywhere” means outside a pluripolar set. The upper semicontinuous regularization of $h_{\varphi,\psi,E}$ is called the relative $(\varphi,\psi)$-extremal function of $E$. ###### Proposition 2.6. Let $E\subset X$. * (i) The function $h_{\varphi,\psi,E}^{*}$ is $\omega$-psh. It satisfies $\varphi\leq h_{\varphi,\psi,E}^{*}\leq\psi$ on $X$ and $h_{\varphi,\psi,E}^{*}=\varphi$ quasi everywhere on $E.$ * (ii) If $P\subset E$ is pluripolar, then $h_{\varphi,\psi,E\setminus P}^{*}\equiv h_{\varphi,\psi,E}^{*}$; in particular $h_{\varphi,\psi,P}^{*}\equiv\psi$. * (iii) If $(E_{j})$ are subsets of $X$ increasing towards $E\subset X$, then $h_{\varphi,\psi,E_{j}}^{*}$ decreases towards $h_{\varphi,\psi,E}^{*}$. * (iv) If $h^{*}_{\varphi,\psi,E}\equiv\psi$ then $E$ is pluripolar. ###### Proof. The statement $(i)$ is a standard consequence of Bedford-Taylor’s work [2]. Set $E_{1}:=E\setminus P$, and denote by $h=h^{*}_{\varphi,\psi,E},\ h_{1}=h^{*}_{\varphi,\psi,E_{1}}$ the corresponding $(\varphi,\psi)$-extremal functions of $E,E_{1}$. Since $E_{1}\subset E$ it is clear that $h_{1}\geq h$. On the other hand $h_{1}=\varphi$ quasi everywhere on $E_{1}$ hence on $E$. This yields $h_{1}\leq h$ whence equality. Let us prove $(iii)$. Since $(E_{j})$ is increasing, $h_{j}:=h^{*}_{\varphi,\psi,E_{j}}$ is decreasing toward $h\in{\rm PSH}(X,\omega).$ It is clear that $h\geq h^{*}_{\varphi,\psi,E}$. By definition, for each $j\in\mathbb{N}$, $h_{j}=\varphi$ quasi everywhere on $E_{j}$. It then follows that $h=\varphi$ quasi everywhere on $E$. We then infer that $h\leq h^{*}_{\varphi,\psi,E}$, hence the equality. To prove $(iv)$ assume that $h^{*}_{\varphi,\psi,E}\equiv\psi$. By definition of $h:=h^{*}_{\varphi,\psi,E}$ and by Choquet’s lemma we can find an increasing sequence $(u_{j})$ such that $u_{j}=\varphi$ on $E$ and $\left(\lim_{j\rightarrow+\infty}u_{j}\right)^{*}=h$. Note that $E\subset\left\\{\left(\limsup_{j\rightarrow+\infty}u_{j}\right)<\left(\limsup_{j\rightarrow+\infty}u_{j}\right)^{*}\right\\},$ modulo a pluripolar set. The latter is also pluripolar, hence $E$ is pluripolar. ∎ ###### Theorem 2.7. If $\varphi\in\mathcal{E}(X,\omega)$ and $E\subset X$ is pluripolar then ${\rm Cap}_{\varphi,\psi}^{*}(E)=0$. ###### Proof. Assume that $\varphi\in\mathcal{E}(X,\omega)$ and fix a pluripolar set $E\subset X$. By translating $\psi$ and $\varphi$ by a constant we can assume that $\psi\leq 0$. It follows from [20, Proposition 2.2] that $\varphi\in\mathcal{E}_{\chi}(X,\omega)$ for some convex increasing function $\chi:\mathbb{R}^{-}\rightarrow\mathbb{R}^{-}$. We can find $u\in\mathcal{E}_{\chi}(X,\omega),u\leq 0$ such that $E\subset\\{u=-\infty\\}$. We claim that ${\rm Cap}_{\varphi,\psi}(\\{u<-t\\})\leq\frac{-2}{\chi(-t)}\left(E_{\chi}(u)+2^{n}E_{\chi}(\varphi)\right),\ \forall t>0.$ Indeed, let $v\in PSH(X,\omega)$ such that $\varphi\leq v\leq\psi.$ We obtain immediately that $\int_{\\{u<-t\\}}\mathrm{MA}\,(v)\leq\frac{1}{-\chi(-t)}\int_{\\{u<-t\\}}(-\chi\circ u)\mathrm{MA}\,(v).$ From this and [20, Proposition 2.5] we get $\int_{\\{u<-t\\}}MA(v)\leq\frac{-2}{\chi(-t)}\left(E_{\chi}(u)+E_{\chi}(v)\right).$ This coupled with the fundamental inequality in [20, Lemma 2.3] yield the claim. Since for any $t>0$, $E\subset\\{u<-t\\}$ we obtain ${\rm Cap}_{\varphi,\psi}^{*}(E)\leq{\rm Cap}_{\varphi,\psi}(u<-t)\to 0\ \ \text{as}\ \ t\to+\infty.$ ∎ From now on we fix $\varphi,\psi$ two functions in $\mathcal{E}(X,\omega)$ such that $\varphi<\psi$ quasi everywhere on $X$. Given any $u\in{\rm PSH}(X,\omega)$ such that $u\leq 0$, it follows from [20, Example 2.14] (see also the Main Theorem in [12]) that $u_{p}:=-(-u)^{p}$ belongs to $\mathcal{E}(X,\omega)$ for any $0<p<1$. The same arguments can be applied to get the following result: ###### Lemma 2.8. Let $\chi:\mathbb{R}^{-}\rightarrow\mathbb{R}^{-}$ be any measurable function. Assume that there exists $q>0$ such that $\sup_{t\leq-1}|\chi(t)|(-t)^{-q}=C<+\infty.$ Then for any $u\in{\rm PSH}(X,\omega)$ such that $u\leq-1$ and any $0<p<\frac{1}{q+1}$ we have $\int_{X}|\chi\circ u_{p}|\mathrm{MA}\,(u_{p})\leq A,$ where $u_{p}:=-(-u)^{p}$ and $A$ is a positive constant depending only on $C,p,q$. ###### Proof. In the proof we use $A$ to denote various positive constants which are under control. By considering $u^{j}:=\max(u,-j)$, the canonical approximants of $u$, and letting $j\to+\infty$ it suffices to treat the case when $u$ is bounded. We compute $\omega+dd^{c}u_{p}=\omega+p(1-p)(-u)^{p-2}du\wedge d^{c}u+p(-u)^{p-1}dd^{c}u.$ We thus get $0\leq\omega+dd^{c}u_{p}\leq(-u)^{p-1}(\omega+dd^{c}u)+\omega+(-u)^{p-2}du\wedge d^{c}u.$ We need to verify the following bounds: $\int_{X}|\chi\circ u_{p}|(-u)^{p-1}(\omega+dd^{c}u)^{k}\wedge\omega^{n-k}\leq A$ and $\int_{X}|\chi\circ u_{p}|(-u)^{p-2}du\wedge d^{c}u\wedge(\omega+dd^{c}u)^{k}\wedge\omega^{n-k-1}\leq A,$ where $k=0,1,...,n$. Let us consider the first one. By assumption we have $|\chi\circ u_{p}|(-u_{p})^{-q}\leq C.$ To bound the first term, it thus suffices to get a bound for $\int_{X}(-u)^{p-1+pq}(\omega+dd^{c}u)^{k}\wedge\omega^{n-k},$ which is easy since $p+pq-1<0$. For the second one it suffices get a bound for $\int_{X}(-u)^{p-2+pq}du\wedge d^{c}u\wedge(\omega+dd^{c}u)^{k}\wedge\omega^{n-k-1},$ which follows easily by the same reason and by integration by parts. ∎ We know from Theorem 2.7 that ${\rm Cap}_{\varphi,\psi}$ vanishes on pluripolar subsets of $X$. This suggests that ${\rm Cap}_{\varphi,\psi}$ is dominated by $F({\rm Cap}_{\omega})$, where $F$ is some positive function vanishing at $0$. The following result gives an explicit formula of $F$. ###### Theorem 2.9. Let $\chi:\mathbb{R}^{-}\rightarrow\mathbb{R}^{-}$ be a convex increasing function and $\varphi\in\mathcal{E}_{\chi}(X,\omega)$. Let $q>0$ be a positive real number such that (2.1) $\sup_{t\leq-1}|\chi(t)|(-t)^{-q}<+\infty.$ Then for any $p<\frac{1}{1+q}$ there exists $C>0$ depending on $p,q,\chi,\varphi$ such that ${\rm Cap}_{\varphi,0}(K)\leq\frac{C}{\left|\chi\left(-{\rm Cap}_{\omega}(K)^{\frac{-p}{n}}\right)\right|}\ ,\ \forall K\subset X.$ As a concrete example, when $\varphi\in\mathcal{E}^{q}(X,\omega)$ for some $q>0$ and $p<1/(1+q)$, then we can take $F(s):=s^{\frac{pq}{n}}$ for $s>0$, getting ${\rm Cap}_{\varphi,0}(K)\leq C\,{\rm Cap}_{\omega}(K)^{\frac{pq}{n}}.$ ###### Proof. Fix $p>0$ such that $p(q+1)<1$. Let $V_{K}$ be the extremal $\omega$-plurisubharmonic function of $K$: $V_{K}:=\sup\\{u\ \ \big{|}\ \,u\in{\rm PSH}(X,\omega),\,u\leq 0\,\ \rm{on}\,\,K\\},$ and $M_{K}:=\sup_{X}V_{K}^{*}$. It follows from (2.1) and Lemma 2.8 that the function $u=-(-V_{K}^{*}+M_{K}+1)^{p}$ belongs to $\mathcal{E}_{\chi}(X,\omega)$. Fix $h\in{\rm PSH}(X,\omega)$ be such that $\varphi\leq h\leq 0$. It follows from Lemma 2.10 below that $\int_{X}|\chi\circ u|\mathrm{MA}\,(h)\leq C_{1},$ where $C_{1}>0$ only depends on $\chi$, $p,q$ and $\varphi$. Therefore, using the fact that $V_{K}^{*}\equiv 0$ quasi everywhere on $K$ we get $\displaystyle\int_{K}\mathrm{MA}\,(h)\leq\int_{X}\frac{|\chi\circ u|}{|\chi(-M_{K}^{p})|}\omega_{h}^{n}\leq\frac{C_{1}}{|\chi(-M_{K}^{p})|}.$ It follows from [19] that $M_{K}\geq C_{2}{\rm Cap}(K)^{-1/n}.$ This coupled with the above yield the result. ∎ ###### Lemma 2.10. Assume that $\chi$, $p,q$ and $\varphi$ are as in Theorem 2.9. Then there exists $C>0$ depending on $\chi,p,q,\varphi$ such that $\int_{X}|\chi(-(-u)^{p})|\mathrm{MA}\,(v)\leq C,\ \forall u,v\in{\rm PSH}(X,\omega),\ \sup_{X}u=-1,\ \varphi\leq v\leq 0.$ ###### Proof. We argue by contradiction, assuming that there are two sequences $(u_{j})$, $(v_{j})$ of functions in ${\rm PSH}(X,\omega)$ such that $\sup_{X}u_{j}=-1$, $\varphi\leq v_{j}\leq 0$, and $\int_{X}|\chi(-(-u_{j})^{p})|\mathrm{MA}\,(v_{j})\geq 2^{(n+2)j},\ \forall j\in\mathbb{N}.$ Set $u:=\sum_{j=1}^{+\infty}2^{-j}u_{j},\ v=\sum_{j=1}^{+\infty}2^{-j}v_{j}.$ Then $u\in{\rm PSH}(X,\omega)$, $u\leq-1$. Moreover, it follows from Lemma 2.8 that $u_{p}:=-(-u)^{p}\in\mathcal{E}_{\chi}(X,\omega).$ We also have $\varphi\leq v\leq 0$, in particular $v\in\mathcal{E}_{\chi}(X,\omega)$. But $\int_{X}|\chi\circ u_{p}|\mathrm{MA}\,(v)\geq\sum_{j=1}^{+\infty}2^{j}=+\infty,$ which contradicts [20, Proposition 2.5]. ∎ ###### Proposition 2.11. Let $E$ be a Borel subset of $X$ and set $h_{E}:=h^{*}_{\varphi,\psi,E}$ the relative $(\varphi,\psi)$-extremal function of $E$. Then $\mathrm{MA}\,(h_{E})\equiv 0\ {\rm on}\ \\{h_{E}<\psi\\}\setminus\bar{E}.$ ###### Proof. We first assume that $\psi$ is continuous on $X$. Set $h:=h_{E}$ and let $x_{0}\in X\setminus\bar{E}$ be such that $(h-\psi)(x_{0})<0.$ Let $B:=B(x_{0},r)\subset X\setminus\bar{E}$ be a small ball around $x_{0}$ such that $\sup_{\bar{B}}(h-\psi)(x)=-2\delta<0.$ Let $\rho$ be a local potential of $\omega$ in $B.$ Shrinking $B$ a little bit we can assume that $\sup_{\bar{B}}|\rho|<\delta$ and ${\rm osc}_{\bar{B}}\psi<\delta/2$. By definition of $h$ and by Choquet’s lemma we can find an increasing sequence $(u_{j})_{j}\subset\mathcal{E}(X,\omega)$ such that $u_{j}=\varphi$ quasi everywhere on $E$, $u_{j}\leq\psi$ on $X$, and $(\lim_{j}u_{j})^{*}=h$. For each $j,k\in\mathbb{N}$, we solve the Dirichlet problem to find $v_{j}^{k}\in{\rm PSH}(X,\omega)\cap L^{\infty}(X)$ such that $\mathrm{MA}\,(v_{j}^{k})=0$ in $B$ and $v_{j}^{k}\equiv\max(u_{j},-k)$ on $X\setminus B$. Since $\rho+v_{j}^{k}\leq\rho+h\leq-\delta+\psi\leq\sup_{\bar{B}}\psi-\delta$ on $\partial B$, we deduce from the maximum principle that $v_{j}^{k}\leq\inf_{\bar{B}}\psi-\delta/2-\rho\leq\psi$ on $B$. Furthermore, taking $k$ big enough such that $\psi\geq-k$, we can conclude that $v_{j}^{k}\leq\psi$ on $X$. For $j\in\mathbb{N}$ fixed, by the comparison principle $(v_{j}^{k})_{k}$ decreases to $v_{j}\in\mathcal{E}(X,\omega)$. Then $u_{j}\leq v_{j}\leq h$ since $v_{j}=u_{j}=\varphi$ on $E$ and $v_{j}\leq\psi$ on $X$. It follows from [20] that the sequence of Monge-Ampère measures $MA(v_{j}^{k})$ converges weakly to $MA(v_{j})$. Thus $MA(v_{j})(B)=0.$ On the other hand, $v_{j}$ increases almost everywhere to $h$ and these functions belong to $\mathcal{E}(X,\omega).$ The same arguments as in [20, Theorem 2.6] show that $MA(v_{j})$ converges weakly to $MA(h)$. We infer that $MA(h)(B)=0$. It remains to remove the continuity hypothesis on $\psi$. Let $(\psi_{j})$ be a sequence of continuous functions in ${\rm PSH}(X,\omega)$ decreasing to $\psi$ on $X$. Let $h_{j}:=h_{\varphi,\psi_{j},E}^{*}$ be the relative $(\varphi,\psi_{j})$-extremal function of $K$. Then $h_{j}$ decreases to $h$, hence $\mathrm{MA}\,(h_{j})$ converges weakly to $\mathrm{MA}\,(h)$. Denote by $V:=\\{h<\psi\\}\setminus\bar{E}$. Now, fix $\varepsilon>0$ and $U$ an open subset of $X$ such that ${\rm Cap}_{\omega}\left[(U\setminus V)\cup(V\setminus U)\right]\leq\varepsilon.$ From the first step we know that $\mathrm{MA}\,(h_{j})$ vanishes on $V$. Thus $\displaystyle\int_{V}\mathrm{MA}\,(h)$ $\displaystyle\leq$ $\displaystyle\int_{U}\mathrm{MA}\,(h)+F(\varepsilon)$ $\displaystyle\leq$ $\displaystyle\liminf_{j\to+\infty}\int_{U}\mathrm{MA}\,(h_{j})+F(\varepsilon)$ $\displaystyle\leq$ $\displaystyle\liminf_{j\to+\infty}\int_{V}\mathrm{MA}\,(h_{j})+2F(\varepsilon)$ $\displaystyle=$ $\displaystyle 2F(\varepsilon),$ It suffices now to let $\varepsilon\to 0$ since $\lim_{\varepsilon\to 0}F(\varepsilon)=0$ thanks to Theorem 2.9. ∎ ###### Lemma 2.12. Let $E\subset X$ be a Borel subset and $h_{E}:=h^{*}_{\varphi,\psi,E}$ be its relative $(\varphi,\psi)$-extremal function. Then we have ${\rm Cap}_{\varphi,\psi}(E)\leq\int_{\\{h_{E}<\psi\\}}\mathrm{MA}\,(h_{E}).$ ###### Proof. Observe first that the $(\varphi,\psi)$-capacity can be equivalently defined by ${\rm Cap}_{\varphi,\psi}(E):=\sup\left\\{\int_{E}\mathrm{MA}\,(u)\ |\ u\in{\rm PSH}(X,\omega),\ \varphi<u\leq\psi\right\\}.$ For simplicity, set $h:=h_{E}$. Now take any $u\in{\rm PSH}(X,\omega)$ such that $\varphi<u\leq\psi$. Then $E\subset\\{h<u\\}\subset\\{h<\psi\\},$ where the first inclusion holds modulo a pluripolar set. The comparison principle for functions in $\mathcal{E}(X,\omega)$ (see [20]) yields $\int_{E}MA(u)\leq\int_{\\{h<u\\}}MA(u)\leq\int_{\\{h<u\\}}MA(h)\leq\int_{\\{h<\psi\\}}MA(h).$ By taking the supremum over all candidates $u$, we get the result. ∎ The following result says that the inequality in Lemma 2.12 is an equality if $E$ is a compact or open subset of $X$. ###### Theorem 2.13. Let $E$ be an open (or compact) subset of $X$ and let $h_{E}:=h^{*}_{\varphi,\psi,E}$ be the $(\varphi,\psi)$-extremal function of $E$. The $(\varphi,\psi)$-capacity of $E$ is given by ${\rm Cap}_{\varphi,\psi}(E)=\int_{\\{h_{E}<\psi\\}}MA(h_{E}).$ ###### Proof. From Lemma 2.12 above we get one inequality. We now prove the opposite one. Set $h:=h_{E}$. Assume first that $E$ is a compact subset of $X.$ Let $(\psi_{j})$ be a sequence of continuous $\omega$-psh functions decreasing to $\psi$. Denote by $h_{j}:=h_{\varphi,\psi_{j},E}^{*}$. It is easy to check that $h_{j}$ decreases to $h$ and that ${\rm Cap}_{\varphi,\psi_{j}}(E)$ decreases to ${\rm Cap}_{\varphi,\psi}(E)$. Since $h_{j}$ is a candidate defining the $(\varphi,\psi_{j})$-capacity of $E$, it follows from Proposition 2.11 and Lemma 2.12 that (2.2) ${\rm Cap}_{\varphi,\psi_{j}}(E)=\int_{\\{h_{j}<\psi_{j}\\}}MA(h_{j})=\int_{E}MA(h_{j}).$ Fix $j_{0}\in\mathbb{N}.$ Since $h_{j}\leq h_{j_{0}}$ and $\psi\leq\psi_{j}$, for any $j>j_{0}$ $\int_{\\{h_{j}<\psi_{j}\\}}MA(h_{j})\geq\int_{\\{h_{j_{0}}<\psi\\}}MA(h_{j}).$ Fix $\varepsilon>0$ and replacing $\psi$ by a continuous function $\tilde{\psi}$ such that ${\rm Cap}_{\omega}(\\{\tilde{\psi}\neq\psi\\})<\varepsilon$. Arguing as in the proof of Proposition 2.11 we get $\displaystyle\liminf_{j\rightarrow+\infty}\int_{\\{h_{j_{0}}<\psi\\}}MA(h_{j})\geq\int_{\\{h_{j_{0}}<\psi\\}}MA(h).$ Taking the limit for $j\rightarrow+\infty$ in (2.2) we get ${\rm Cap}_{\varphi,\psi}(E)\geq\int_{\\{h<\psi\\}}MA(h).$ We now assume that $E\subset X$ is an open set. Let $(K_{j})$ be a sequence of compact subsets increasing to $E$. Then clearly $h_{j}:=h^{*}_{\varphi,\psi,K_{j}}\searrow h$ and ${\rm Cap}_{\varphi,\psi}(K_{j})\nearrow{\rm Cap}_{\varphi,\psi}(E)$. We have already proved that ${\rm Cap}_{\varphi,\psi}(K_{j})\geq\int_{\\{h_{j}<\psi\\}}MA(h_{j})$. For each fixed $k\in\mathbb{N}$, we have $\liminf_{j\to+\infty}\int_{\\{h_{j}<\psi\\}}MA(h_{j})\geq\liminf_{j\to+\infty}\int_{\\{h_{k}<\psi\\}}MA(h_{j})\geq\int_{\\{h_{k}<\psi\\}}MA(h).$ Then letting $k\to+\infty$ and using the first part of the proof we get $\liminf_{j\to+\infty}{\rm Cap}_{\varphi,\psi}(K_{j})\geq\int_{\\{h<\psi\\}}MA(h).$ On the other hand, it is clear that $\lim_{j\to+\infty}{\rm Cap}_{\varphi,\psi}(K_{j})={\rm Cap}_{\varphi,\psi}(E)$, and hence ${\rm Cap}_{\varphi,\psi}(E)\geq\int_{\\{h<\psi\\}}MA(h).$ ∎ Now we want to give a formula for the outer $(\varphi,\psi)$-capacity. Assume that $E$ is a Borel subset of $X$. We introduce an auxiliary function (2.3) $\phi:=\phi_{\varphi,\psi,E}=\begin{cases}\frac{-h_{\varphi,\psi,E}^{*}+\psi}{-\varphi+\psi}\quad{\rm if}\ \varphi>-\infty\\\ \;0\quad\quad\quad{\rm if}\ \varphi=-\infty\end{cases}.$ Observe that $\phi$ is a quasicontinuous function, $0\leq\phi\leq 1$ and $\phi=1$ quasi everywhere on $E$. ###### Theorem 2.14. Let $E\subset X$ be a Borel subset and denote by $h_{E}:=h^{*}_{\varphi,\psi,E}$ the $(\varphi,\psi)$-extremal function of $E$. Then ${\rm Cap}_{\varphi,\psi}^{*}(E)=\int_{\\{h_{E}<\psi\\}}\mathrm{MA}\,(h_{E})=\int_{X}\left(\frac{-h_{E}+\psi}{-\varphi+\psi}\right)\,\mathrm{MA}\,(h_{E}).$ To prove Theorem 2.14 we need the following results. ###### Lemma 2.15. Let $(u_{j})$ be a bounded monotone sequence of quasi-continuous functions converging to $u$. Let $\chi$ be a convex weight and $\\{\varphi_{j}\\}\subset\mathcal{E}_{\chi}(X,\omega)$ be a monotone sequence converging to $\varphi\in\mathcal{E}_{\chi}(X,\omega)$. Then $\int_{X}u_{j}\,\mathrm{MA}\,(\varphi_{j})\xrightarrow[j\rightarrow+\infty]{}\int_{X}u\,\mathrm{MA}\,(\varphi).$ ###### Proof. Fix $\varepsilon>0.$ Let $U$ be an open subset of $X$ with ${\rm Cap}_{\omega}(U)<\varepsilon$ and $v_{j},v$ be continuous functions on $X$ such that $v_{j}\equiv u_{j}$ and $v\equiv u$ on $K:=X\setminus U.$ By Theorem 2.9 (and by letting $\varepsilon\to 0$) it suffices to prove that $\int_{X}v_{j}\,\mathrm{MA}\,(\varphi_{j})\xrightarrow[j\rightarrow+\infty]{}\int_{X}v\,\mathrm{MA}\,(\varphi)\,.$ From Dini’s theorem $v_{j}$ converges uniformly to $v$ on $K$. Thus, using again Theorem 2.9, the problem reduces to proving that $\int_{X}v\,\mathrm{MA}\,(\varphi_{j})\xrightarrow[j\rightarrow+\infty]{}\int_{X}v\,\mathrm{MA}\,(\varphi)\,.$ But the latter obviously follows since $v$ is continuous on $X$. The proof is thus complete. ∎ ###### Proposition 2.16. Let $E$ be a compact or open subset of $X$ and let $h_{E}:=h^{*}_{\varphi,\psi,E}$ denote the $(\varphi,\psi)$-extremal function of $E$. Then ${\rm Cap}_{\varphi,\psi}(E)=\int_{\\{h_{E}<\psi\\}}\mathrm{MA}\,(h_{E})=\int_{X}\left(\frac{-h_{E}+\psi}{-\varphi+\psi}\right)\,\mathrm{MA}\,(h_{E}).$ ###### Proof. The first equality has been proved in Theorem 2.13. Set $h:=h_{E}$ and $\phi:=\phi_{\varphi,\psi,E}=\frac{-h_{E}+\psi}{-\varphi+\psi}$. Observe that $\\{h<\psi\\}=\\{\phi>0\\}$ modulo a pluripolar set and $\phi\leq 1.$ Thus $\int_{\\{h<\psi\\}}\mathrm{MA}\,(h)\geq\int_{X}\phi\,\mathrm{MA}\,(h).$ Assume that $E$ is compact. By Proposition 2.11 and Theorem 2.13 we have ${\rm Cap}_{\varphi,\psi}(E)=\int_{E}\mathrm{MA}\,(h).$ Since $\phi=1$ quasi everywhere on $E$ we obtain $\int_{E}\mathrm{MA}\,(h)\leq\int_{X}\phi\,\mathrm{MA}\,(h).$ We assume now that $E\subset X$ is an open subset. Let $(K_{j})$ be a sequence of compact subsets increasing to $E$. Then ${\rm Cap}_{\varphi,\psi}(E)=\lim_{j\rightarrow+\infty}{\rm Cap}_{\varphi,\psi}(K_{j})=\lim_{j\rightarrow+\infty}\int_{X}\phi_{j}\,\mathrm{MA}\,(h_{j}),$ where $h_{j}:=h_{\varphi,\psi,K_{j}}^{*}$ and $\phi_{j}:=\phi_{\varphi,\psi,K_{j}}$ is defined by (2.3). Since $\phi_{j}$ is quasicontinuous for any $j$ and $\phi_{j}\searrow\phi$, the conclusion follows from Lemma 2.15. ∎ ###### Lemma 2.17. Let $u,v$ be $\omega$-plurisubharmonic functions. Let $G\subset X$ be an open subset. Set $E=\\{u<v\\}\cap G$ and $h_{E}:=h_{\varphi,\psi,E}^{*}$. Then ${\rm Cap}_{\varphi,\psi}^{*}(E)={\rm Cap}_{\varphi,\psi}(E)=\int_{\\{h_{E}<\psi\\}}\mathrm{MA}\,(h_{E})=\int_{X}\left(\frac{-h_{E}+\psi}{-\varphi+\psi}\right)\,\mathrm{MA}\,(h_{E}).$ ###### Proof. We start showing the first identity. First, just by definition ${\rm Cap}_{\varphi,\psi}^{*}(E)\geq{\rm Cap}_{\varphi,\psi}(E)$. Fix $\varepsilon>0$. There exists a function $\tilde{v}\in\mathcal{C}(X)$ such that ${\rm Cap}_{\omega}(\\{\tilde{v}\neq v\\})<\varepsilon.$ Clearly $E\subset\left(\\{u<\tilde{v}\\}\cap G\right)\cup\\{\tilde{v}\neq v\\}$ and so, applying Theorem 2.9 we get $\displaystyle{\rm Cap}_{\varphi,\psi}^{*}(E)$ $\displaystyle\leq$ $\displaystyle{\rm Cap}_{\varphi,\psi}(\\{u<\tilde{v}\\}\cap G)+F(\varepsilon)$ $\displaystyle\leq$ $\displaystyle{\rm Cap}_{\varphi,\psi}(E)+2F(\varepsilon),$ where $F(\varepsilon)\to 0$ as $\varepsilon\to 0.$ Taking the limit as $\varepsilon\rightarrow 0$ we arrive at the first conclusion. Let now $\\{K_{j}\\}$ be a sequence of compact sets increasing to $G$ and $\\{u_{j}\\}$ be a sequence of continuous functions decreasing to $u$. Then $E_{j}=\\{u_{j}+1/j\leq v\\}\cap K_{j}$ is compact and $E_{j}\nearrow E$. Set $h:=h_{\varphi,\psi,E},\,\phi:=\frac{-h_{E}+\psi}{-\varphi+\psi},\,h_{j}:=h_{\varphi,\psi,E_{j}}^{*},\,\phi_{j}:=\frac{-h_{E_{j}}+\psi}{-\varphi+\psi}.$ Observe that $h_{j}\searrow h$ and $\phi_{j}\searrow\phi$. By Proposition 2.16 and Lemma 2.15 we have $\displaystyle{\rm Cap}_{\varphi,\psi}(E)$ $\displaystyle=$ $\displaystyle\lim_{j\rightarrow+\infty}{\rm Cap}_{\varphi,\psi}(E_{j})$ $\displaystyle=$ $\displaystyle\lim_{j\rightarrow+\infty}\int_{X}\phi_{j}\,\mathrm{MA}\,(h_{j})$ $\displaystyle=$ $\displaystyle\int_{X}\phi\,\mathrm{MA}\,(h)\leq\int_{\\{h<\psi\\}}\mathrm{MA}\,(h).$ Furthermore, for each fixed $k\in\mathbb{N}$, using Theorem 2.9 we can argue as above to get $\liminf_{j\to+\infty}\int_{\\{h_{j}<\psi\\}}\mathrm{MA}\,(h_{j})\geq\liminf_{j\to+\infty}\int_{\\{h_{k}<\psi\\}}\mathrm{MA}\,(h_{j})\geq\int_{\\{h_{k}<\psi\\}}\mathrm{MA}\,(h).$ Letting $k\to+\infty$ and using Proposition 2.16 again we get ${\rm Cap}_{\varphi,\psi}(E)\geq\int_{\\{h<\psi\\}}\mathrm{MA}\,(h),$ which completes the proof. ∎ We are now ready to prove Theorem 2.14. ###### Proof. As usual, for simplicity, set $h:=h_{E}$. By definition of the outer capacity there is a sequence $(O_{j})$ of open sets decreasing to $E$ such that ${\rm Cap}_{\varphi,\psi}^{*}(E)=\lim_{j\rightarrow+\infty}{\rm Cap}_{\varphi,\psi}(O_{j})$. Furthermore by Choquet’s lemma there exists a sequence $(u_{j})$ of $\omega$-psh functions such that $u_{j}\equiv\varphi$ quasi everywhere on $E$, $u_{j}\leq\psi$ on $X$ and $u_{j}\nearrow h$. Since ${\rm Cap}_{\varphi,\psi}^{*}$ vanishes on pluripolar sets (see Theorem 2.7) we can assume that $u_{j}\equiv\varphi$ on $E$. For any $j$, we set $E_{j}=O_{j}\cap\\{u_{j}<\varphi+1/j\\}$ and $h_{j}:=h_{\varphi,\psi,E_{j}}^{*}$. Then $(E_{j})$ is a decreasing sequence of open subsets such that $E\subset E_{j}\subset O_{j}$ and $u_{j}-1/j\leq h_{j}\leq h$, thus $h_{j}\nearrow h$. Clearly ${\rm Cap}_{\varphi,\psi}^{*}(E)=\lim_{j\rightarrow+\infty}{\rm Cap}_{\varphi,\psi}(E_{j})$. By Lemma 2.17 and Lemma 2.15 we get $\lim_{j\rightarrow+\infty}{\rm Cap}_{\varphi,\psi}^{*}(E_{j})=\lim_{j\rightarrow+\infty}{\rm Cap}_{\varphi,\psi}(E_{j})=\lim_{j\rightarrow+\infty}\int_{X}\phi_{j}\,\mathrm{MA}\,(h_{j})=\int_{X}\phi\,\mathrm{MA}\,(h),$ where $\phi_{j}:=\phi_{\varphi,\psi,E_{j}}$ is defined by (2.3). ∎ ###### Corollary 2.18. Let $K\subset X$ be a compact set and $(K_{j})$ a sequence of compact subsets decreasing to $K$. Then * (i) ${\rm Cap}_{\varphi,\psi}^{*}(K)={\rm Cap}_{\varphi,\psi}(K)=\lim_{j\to+\infty}{\rm Cap}_{\varphi,\psi}(K_{j})$, * (ii) $h_{\varphi,\psi,K_{j}}^{*}\nearrow h_{\varphi,\psi,K}^{*}$. ###### Proof. The first equality in statement (i) comes straightforward from Theorem 2.13 and Theorem 2.14. The second one follows from (ii) and Theorem 2.14. It remains to prove (ii). Since $(K_{j})$ decreases to $K$, $h_{j}:=h_{\varphi,\psi,K_{j}}^{*}$ increases to some $h_{\infty}\in\mathcal{E}(X,\omega)$. Clearly $h_{\infty}\leq h$. Thus we need to prove that $h_{\infty}\geq h$. Since $\\{h_{\infty}<h\\}\subset\\{h_{\infty}<\psi\\}\setminus K$ modulo a pluripolar set, $\int_{\\{h_{\infty}<h\\}}\mathrm{MA}\,(h_{\infty})\leq\int_{\\{h_{\infty}<\psi\\}\setminus K}\mathrm{MA}\,(h_{\infty}).$ From Proposition 2.11 we know that $\int_{\\{h_{j}<\psi\\}\setminus K_{j}}\mathrm{MA}\,(h_{j})=0,\,\forall j\in\mathbb{N}.$ Fix $\varepsilon>0$ and let $\psi_{\varepsilon}\in\mathcal{C}(X)$ such that ${\rm Cap}_{\omega}(\\{\psi_{\varepsilon}\neq\psi\\})<\varepsilon$. Then for each fixed $k\in\mathbb{N}$, we have $\displaystyle\int_{\\{h_{\infty}<\psi\\}\setminus K_{k}}\mathrm{MA}\,(h_{\infty})$ $\displaystyle\leq$ $\displaystyle\int_{\\{h_{\infty}<\psi_{\varepsilon}\\}\setminus K_{k}}\mathrm{MA}\,(h_{\infty})+F(\varepsilon)$ $\displaystyle\leq$ $\displaystyle\liminf_{j\to+\infty}\int_{\\{h_{\infty}<\psi_{\varepsilon}\\}\setminus K_{k}}\mathrm{MA}\,(h_{j})+F(\varepsilon)$ $\displaystyle\leq$ $\displaystyle\liminf_{j\to+\infty}\int_{\\{h_{\infty}<\psi\\}\setminus K_{k}}\mathrm{MA}\,(h_{j})+2F(\varepsilon)$ $\displaystyle\leq$ $\displaystyle\liminf_{j\to+\infty}\int_{\\{h_{j}<\psi\\}\setminus K_{k}}\mathrm{MA}\,(h_{j})+2F(\varepsilon)$ $\displaystyle=$ $\displaystyle 2F(\varepsilon),$ where $F(\varepsilon)\to 0$ as $\varepsilon\to 0$ thanks to Theorem 2.9. Thus, letting $\varepsilon\to 0$ then $k\to+\infty$ and using the domination principle below (Proposition 3.1) we can conclude that $h_{\infty}\geq h$. ∎ ### 2.3. Proof of Theorem A Let us briefly resume the proof of Theorem A. Statements (i) and (ii) have been proved in Theorem 2.14 and Theorem 2.9 respectively. One direction of the last staement has been proved in Theorem 2.7. Now, if $E$ is a Borel subset of $X$ such that ${\rm Cap}_{\varphi,\psi}^{*}(E)=0$ then it follows from Theorem 2.14 that $\int_{\\{h_{\varphi,\psi,E}^{*}<\psi\\}}\mathrm{MA}\,(h_{\varphi,\psi,E}^{*})=0.$ We then can apply the domination principle (see [7] or Proposition 3.1 below for a proof) to conclude. ## 3\. Another proof of the Domination Principle The following domination principle was proved by Dinew using his uniqueness result [16], [7]. As an application of the $(\varphi,\psi)$-Capacity we propose here an alternative proof. ###### Proposition 3.1. If $u,v\in\mathcal{E}(X,\omega)$ such that $u\leq v$ $MA(v)$-almost everywhere then $u\leq v$ on $X.$ ###### Proof. We first claim that for every $\varphi\in\mathcal{E}(X,\omega)$ such that $0\leq\varphi-u\leq C$ for some constant $C>0$ and for any $s>0$ one has $\int_{\\{v<u-s\\}}MA(\varphi)=0.$ Indeed, fix $s>0$ and let $\varphi$ be such a function. Let $C>0$ be a constant such that $\varphi-u\leq C$ on $X.$ Choose $\delta\in(0,1)$ such that $\delta C<s.$ Now, by using the comparison principle and the fact that $0\leq\varphi-u\leq C$ we get $\displaystyle\delta^{n}\int_{\\{v<u-s\\}}MA(\varphi)$ $\displaystyle=$ $\displaystyle\int_{\\{v<u-s\\}}(\delta\omega+dd^{c}\delta\varphi)^{n}$ $\displaystyle\leq$ $\displaystyle\int_{\\{v<\delta\varphi+(1-\delta)u-s\\}}MA\left(\delta\varphi+(1-\delta)u\right)$ $\displaystyle\leq$ $\displaystyle\int_{\\{v<\delta\varphi+(1-\delta)u-s\\}}MA(v)$ $\displaystyle\leq$ $\displaystyle\int_{\\{v<u\\}}MA(v)=0.$ Thus, the claim is proved. Now for each $t>0$ let $h_{t}$ denote the $(u,0)$-extremal function of the open set $G_{t}:=\\{u<-t\\}.$ It is clear that for every $t>0,$ $h_{t}\in\mathcal{E}(X,\omega)$ and $\sup_{X}(h_{t}-u)<+\infty.$ The previous step yields $\int_{\\{v<u-s\\}}MA(h_{t})=0,\ \forall s>0.$ Fix $\varepsilon>0$. Let $\tilde{u}$ be a continuous function on $X$ such that ${\rm Cap}_{\omega}(\\{u\neq\tilde{u}\\})<\varepsilon$. Since $h_{t}$ increases to $0$ (see Lemma 3.2 below), we infer that $\int_{\\{v<\tilde{u}-s\\}}\omega^{n}\leq\liminf_{t\to+\infty}\int_{\\{v<u-s\\}}\mathrm{MA}\,(h_{t})+{\rm Cap}_{u,0}(\\{u\neq\tilde{u}\\}).$ Repeating this argument we get $\int_{\\{v<u-s\\}}\omega^{n}\leq\varepsilon+{\rm Cap}_{u,0}(\\{u\neq\tilde{u}\\}).$ Letting $\varepsilon\to 0$ and using Theorem 2.9 we get ${\rm Vol}(\\{v<u-s\\})=0$, for any $s>0$ which implies that $u\leq v$ on $X$ as desired. ∎ ###### Lemma 3.2. Let $v\in{\rm PSH}(X,\omega).$ For each $t>0$, set $G_{t}:=\\{v<-t\\}$. Denote by $h_{t}$ the $(\varphi,0)$-extremal function of $G_{t}$. Then $h_{t}$ increases quasi everywhere on $X$ to $0$ when $t$ increases to $+\infty$. ###### Proof. We know that $h_{t}$ increases quasi everywhere to $h\in\mathcal{E}(X,\omega)$ and that $h\leq 0$. By Theorem 2.7 (up to consider $-(-v)^{p}$ with $p\in(0,1)$ instead of $v$), we get $\lim_{t\to+\infty}{\rm Cap}_{\varphi,0}(G_{t})=0.$ It follows from Theorem 2.13 that for each $t>0$, $\int_{\\{h<0\\}}MA(h_{t})\leq\int_{\\{h_{t}<0\\}}MA(h_{t})={\rm Cap}_{\varphi,0}(G_{t}).$ We thus get $\int_{\\{h<0\\}}MA(h)\leq\liminf_{t\to+\infty}\int_{\\{h<0\\}}MA(h_{t})=0.$ The comparison principle yields ${\rm Vol}(\\{h<0\\})=0$ which completes the proof. ∎ ###### Remark 3.3. Lemma 3.2 is stated and proved in the case $\psi\equiv 0$. Observe that it also holds for any $\psi\in\mathcal{E}(X,\omega)$ such that $\varphi<\psi$. To see this we can follow the same arguments of above but for the final step where we get $\psi\leq h\;\,\mathrm{MA}\,(h)$-almost everywhere. We then conclude using the domination principle. ## 4\. Applications to Complex Monge-Ampère equations In this section (in the same spirit of [15]) we prove Theorem B by using ${\rm Cap}_{\psi}:={\rm Cap}_{\psi-1,\psi}$. Let us recall the setting. Let $X$ be a compact Kähler manifold of dimension $n$ and let $\omega$ be a Kähler form on $X$. Let $D$ be an arbitrary divisor on $X$. Consider the complex Monge-Ampère equations (4.1) $(\omega+dd^{c}\varphi)^{n}=e^{\lambda\varphi}f\omega^{n},\ \lambda\in\mathbb{R}.$ We say that $f$ satisfies Condition $\mathcal{H}_{f}$ if $f=e^{\psi^{+}-\psi^{-}},\ \ \psi^{\pm}\ {\rm are\ quasi\ psh\ functions\ on}\ X\ ,\ \psi^{-}\in L^{\infty}_{\rm loc}(X\setminus D).$ We have already treated the case when $\lambda=0$ in [15]. If $\lambda>0$ and $f$ is integrable then the same arguments can be applied. More precisely, $\mathcal{C}^{0}$-estimates follow from comparison principle while the $\mathcal{C}^{2}$ estimate follows exactly the same way as in [15]. The case when $\lambda<0$ is known to be much more difficult. We need the following observation where we make use of the generalized capacity ${\rm Cap}_{\psi}$: ###### Lemma 4.1. Let $\varphi\in\mathcal{E}(X,\omega)$ be normalized by $\sup_{X}\varphi=0$. Assume that there exist a positive constant $A$ and $\psi\in{\rm PSH}(X,\omega/2)$ such that $\mathrm{MA}\,(\varphi)\leq e^{-A\psi}\omega^{n}$. Then there exists $C>0$ depending only on $\int_{X}e^{-2A\varphi}\omega^{n}$ such that $\varphi\geq\psi-C.$ Observe that for all $A>0$ and $\varphi\in\mathcal{E}(X,\omega)$, $e^{-A\varphi}\omega^{n}\in L^{1}(X)$ as follows from Skoda integrability theorem [23], [25], since functions in $\mathcal{E}(X,\omega)$ have zero Lelong number at all points [20]. ###### Proof. Set $H(t)=\left[{\rm Cap}_{\psi}(\\{\varphi<\psi-t\\})\right]^{1/n},\ t>0.$ Observe that $H(t)$ is right-continuous and $H(+\infty)=0$ (see [15, Lemma 2.6]). It follows from [15, Lemma 2.7] that ${\rm Cap}_{\omega}\leq 2^{n}{\rm Cap}_{\psi}$. By a strong volume-capacity domination in [19] we also have ${\rm Vol}_{\omega}\leq\exp{\left(\frac{-C_{1}}{{\rm Cap}_{\omega}^{1/n}}\right)},$ where $C_{1}$ depends only on $(X,\omega)$. Thus using [15, Proposition 2.8] and the assumption on the measure $\mathrm{MA}\,(\varphi)$, we get $\displaystyle s^{n}{\rm Cap}_{\psi}(\\{\varphi<\psi-t-s\\})$ $\displaystyle\leq$ $\displaystyle\int_{\\{\varphi<\psi-t\\}}\mathrm{MA}\,(\varphi)$ $\displaystyle\leq$ $\displaystyle\int_{\\{\varphi<\psi-t\\}}e^{-A\varphi}e^{A\psi}\mathrm{MA}\,(\varphi)$ $\displaystyle\leq$ $\displaystyle\left[\int_{X}e^{-2A\varphi}\omega^{n}\right]^{1/2}\left[\int_{\\{\varphi<\psi-t\\}}\omega^{n}\right]^{1/2}$ $\displaystyle\leq$ $\displaystyle C_{2}\left[{\rm Cap}_{\psi}(\\{\varphi<\psi-t\\})\right]^{2},$ where $C_{2}$ depends on $\int_{X}e^{-2A\varphi}\omega^{n}$. We then get $sH(t+s)\leq C_{2}^{1/n}H(t)^{2},\ \forall t>0,\forall s\in[0,1].$ Then by [17, Lemma 2.4] we get $\varphi\geq\psi-C_{3}$, where $C_{3}$ only depends on $\int_{X}e^{-2A\varphi}\omega^{n}$. ∎ Now, we are ready to prove Theorem B. ### 4.1. Proof of Theorem B It suffices to treat the case when $\lambda=-1$. Since $f$ satisfies Condition $\mathcal{H}_{f}$ we can write $\log f=\psi^{+}-\psi^{-}$, where $\psi^{\pm}$ are qpsh functions on $X$, $\psi^{-}$ is locally bounded on $X\setminus D$ and there exists a uniform constant $C>0$ such that $dd^{c}\psi^{\pm}\geq-C\omega,\;\sup_{X}\psi^{+}\leq C.$ We apply the smoothing kernel $\rho_{\varepsilon}$ in Demailly regularization theorem [13] to the functions $\varphi$ and $\psi^{\pm}$. For $\varepsilon$ small enough, we get $dd^{c}\rho_{\varepsilon}(\varphi+\psi^{-})\geq- C_{1}\omega,\;\;dd^{c}\rho_{\varepsilon}(\psi^{+})\geq- C_{1}\omega,\;\;\sup_{X}\rho_{\varepsilon}(\psi^{+})\leq C_{1},$ where $C_{1}$ depends on $C$ and the Lelong numbers of the currents $C\omega+dd^{c}\psi^{\pm}$. By the classical result of Yau [24], for each $\varepsilon$, there exists a unique smooth $\omega$-psh function $\phi_{\varepsilon}$ satisfying $\mathrm{MA}\,(\phi_{\varepsilon})=e^{c_{\varepsilon}+\rho_{\varepsilon}(\psi^{+})-\rho_{\varepsilon}(\varphi+\psi^{-})}\omega^{n}=g_{\varepsilon}\omega^{n},\ \ \sup_{X}\phi_{\varepsilon}=0,$ where $c_{\varepsilon}$ is a normalization constant such that $\int_{X}g_{\varepsilon}\omega^{n}=\int_{X}e^{-\varphi}f\omega^{n}=\int_{X}\omega^{n}.$ Since by Jensen’s inequality $e^{\rho_{\varepsilon}(-\varphi+\log f)}\leq\rho_{\varepsilon}(e^{-\varphi+\log f})$ and $e^{\rho_{\varepsilon}(-\varphi+\log f)}$ converges point-wise to $e^{-\varphi}f$ on $X$, it follows from the general Lebesgue dominated convergence theorem that $e^{\rho_{\varepsilon}(-\varphi+\log f)}$ converges to $e^{-\varphi}f$ in $L^{1}(X)$ when $\varepsilon\downarrow 0$. This means that $c_{\varepsilon}$ converges to zero when $\varepsilon\rightarrow 0$. It then follows from [15, Lemma 3.4] that $\phi_{\varepsilon}$ converges in $L^{1}(X)$ to $\varphi-\sup_{X}\varphi$. We now apply the $\mathcal{C}^{2}$ estimate in [15, Theorem 3.2] to get $n+\Delta\phi_{\varepsilon}\leq C_{3}e^{-2\rho_{\varepsilon}(\varphi+\psi^{-})}\leq C_{4}e^{-2(\varphi+\psi^{-})},$ where $C_{3},C_{4}$ are uniform constants (do not depend on $\varepsilon$). Now, we need to bound $\varphi$ from below. By the assumption on $f$ we have $\mathrm{MA}\,(\varphi)=e^{\psi^{+}-(\varphi+\psi^{-})}\omega^{n}\leq e^{-(\varphi+\psi^{-}-C)}\omega^{n}.$ Consider $\psi:=\frac{1}{2C+2}(\varphi+\psi^{-})$. Since this function belongs to ${\rm PSH}(X,\omega/2)$ we can apply Lemma 4.1 to get $\varphi-\sup_{X}\varphi\geq\psi-C_{5}.$ This gives $\varphi\geq C_{6}\psi^{-}-C_{7}$. Applying again this argument to $\phi_{\varepsilon}$ and noting that $c_{\varepsilon}$ converges to $0$, and hence under control, we get $\phi_{\varepsilon}\geq\rho_{\varepsilon}(\varphi+\psi^{-})-C_{8}\geq C_{9}\psi^{-}-C_{10}.$ We can now conclude using the same arguments in [15, Section 3.3]. ### 4.2. (Non) Existence of solutions In the previous subsection, no regularity assumption on $D$ has been done. We now discuss about the existence of solutions in concrete examples, assuming more information on $D,f$. Let $D=\sum_{j=1}^{N}D_{j}$ be a simple normal crossing divisor on $X$. Reacall that ”simple normal crossing” means that around each intersection point of $k$ components $D_{j_{1}},...,D_{j_{k}}$ ($k\leq N$), we can find complex coordinates $z_{1},...,z_{n}$ such that for each $l=1,...,k$ the hypersurface $D_{j_{l}}$ is locally given by $z_{l}=0$. For each $j$, let $L_{j}$ be the holomorphic line bundle defined by $D_{j}$. Let $s_{j}$ be a holomorphic section of $L_{j}$ defining $D_{j}$, i.e $D_{j}=\\{s_{j}=0\\}$. We fix a hermitian metric $h_{j}$ on $L_{j}$ such that $|s_{j}|:=|s_{j}|_{h_{j}}\leq 1/e$. We assume that $f$ has the following particular form: (4.2) $f=\frac{h}{\prod_{j=1}^{N}|s_{j}|^{2}(-\log|s_{j}|)^{1+\alpha}},\ \alpha>0,$ where $h$ is a bounded function: $0<1/B\leq h\leq B,\;B>0$. In this subsection we always assume that $\lambda<0$. ###### Proposition 4.2. Assume that $f$ satisfies (4.2) with $0<\alpha\leq 1$. Then there is no solution in $\mathcal{E}(X,\omega)$ to equation $(\omega+dd^{c}\varphi)^{n}=e^{\lambda\varphi}f\omega^{n}.$ ###### Proof. We can assume (up to normalization) that $\lambda=-1$. Then observe that if there exists $\varphi\in\mathcal{E}(X,\omega)$ such that $(\omega+dd^{c}\varphi)^{n}=e^{-\varphi}\mu,$ where $\mu$ is a positive measure, then we can find $A>0$ such that $\mu\leq A\left(\omega+dd^{c}u\right)^{n},$ where $u:=e^{(\varphi-\sup_{X}\varphi)/n}$ is a bounded $\omega$-psh function. Indeed, $u$ is a $\omega$-psh function and $\omega+dd^{c}u\geq\omega+\frac{u}{n}dd^{c}\varphi\geq\frac{u}{n}(\omega+dd^{c}\varphi)\geq 0.$ This coupled with [15, Proposition 4.4 and 4.5] yields the conclusion. ∎ The above analysis shows that there is no solution if the density has singularities of Poincaré type or worse. We next show that when $f$ is less singular than the Poincaré type density (i.e. $\alpha>1$), equation (4.1) has a bounded solution provided $\lambda=-\varepsilon$ with $\varepsilon>0$ very small. We say that $f$ satisfies Condition $\mathcal{S}(B,\alpha)$ for some $B>0$, $\alpha>0$ if $f\leq\frac{B}{\prod_{j=1}^{N}|s_{j}|^{2}(-\log|s_{j}|)^{1+\alpha}}.$ ###### Theorem 4.3. Assume that $f$ satisfies Condition $\mathcal{S}(B,\alpha)$ with $\alpha>1$. We also normalize $f$ so that $\int_{X}f\omega^{n}=\int_{X}\omega^{n}$. Then for $\lambda=-\varepsilon$ with $\varepsilon>0$ small enough depending only on $C,\alpha,\omega$, there exists a bounded solution $\varphi$ to (4.1). The solution is automatically continuous on $X$. In particular, it is also smooth on $X\setminus D$ if $f$ is smooth there. ###### Proof. The last statement follows easily from our previous analysis. Let us prove the existence. We use the Schauder Fixed Point Theorem. Let $C=C(2B,\alpha)$ be the constant in Lemma 4.4 below. Choose $\varepsilon>0$ very small such that $e^{\varepsilon C}\leq 2$. Consider the following compact convex set in $L^{1}(X)$: $\mathcal{C}:=\\{u\in{\rm PSH}(X,\omega)\ \ \big{|}\ \ -C\leq u\leq 0\\}.$ Let $\psi\in\mathcal{C}$ and $c_{\psi}$ be a constant such that $\int_{X}e^{-\varepsilon\psi+c_{\psi}}f\omega^{n}=\int_{X}\omega^{n}.$ Since $-C\leq\psi\leq 0$, it is clear that $-C\varepsilon\leq c_{\psi}\leq 0$. Let $\varphi$ be the unique bounded $\omega$-psh function such that $\sup_{X}\varphi=0$ and $(\omega+dd^{c}\varphi)^{n}=e^{-\varepsilon\psi+c_{\psi}}f\omega^{n}.$ The density on the right-hand side satisfies Condition $\mathcal{S}(B,\alpha)$ since $c_{\psi}\leq 0$ and since $e^{\varepsilon C}\leq 2$. We thus get from Lemma 4.4 below that $\varphi\geq-C$. Thus we have defined a mapping from $\mathcal{C}$ to itseft $\Phi:\mathcal{C}\rightarrow\mathcal{C},\ \ \ \Phi(\psi):=\varphi.$ Let us prove that $\Phi$ is continuous on $\mathcal{C}$. Let $\psi_{j}$ be a sequence in $\mathcal{C}$ which converges to $\psi$ in $L^{1}(X)$. Denote by $c_{j}:=c_{\psi_{j}},\ \ c:=c_{\psi},\ \Phi(\psi_{j})=\varphi_{j},\ \Phi(\psi)=\varphi.$ It is enough to prove that any cluster point of the sequence $(\varphi_{j})$ is equal to $\varphi$. Therefore, we can assume that $\varphi_{j}$ converges to $\varphi_{0}$ in $L^{1}(X)$ and up to extracting a subsequence that $\psi_{j}$ converges almost everywhere to $\psi$ on $X$ and also that $c_{j}$ converges to $c_{0}\in[-C\varepsilon,0]$. Since $e^{-\varepsilon\psi_{j}+c_{j}}f$ converges in $L^{1}(X)$ to $e^{-\varepsilon\psi+c_{0}}f$ in $L^{1}(X)$ and almost everywhere, it follows from [15, Lemma 3.4] that $(\omega+dd^{c}\varphi_{0})^{n}=e^{-\varepsilon\psi+c_{0}}f\omega^{n}.$ It is clear that $c_{0}=c$ and it follows from Hartogs’ lemma that $\sup_{X}\varphi_{0}=0$. Thus $\varphi_{0}=\varphi$. This concludes the continuity of $\Phi$. Now, since $\mathcal{C}$ is compact and convex in $L^{1}(X)$ and since $\Phi$ is continuous on $\mathcal{C}$, by Schauder Fixed Point Theorem there exists a fixed point of $\Phi$, say $\varphi$. Then $\varphi-c_{\varphi}/{\varepsilon}$ is the desired solution. ∎ We refer the reader to [15, Section 4.2] for the proof of the following lemma. ###### Lemma 4.4. Assume that $f$ satisfies Condition $\mathcal{S}(B,\alpha)$ with $\alpha>1$, $B>0$. Let $\varphi\in\mathcal{E}(X,\omega)$ be the unique function such that $(\omega+dd^{c}\varphi)^{n}=f\omega^{n},\ \sup_{X}\varphi=0.$ Then $\varphi\geq-C$ with $C=C(B,\alpha)>0$. ### 4.3. Proof of Theorem C Assume that $\varphi\in\mathcal{E}(X,\omega)$ satisfies $(\omega+dd^{c}\varphi)^{n}=e^{\lambda\varphi}f\omega^{n},\lambda>0.$ Up to rescaling $\omega$ it suffices to treat the case when $\lambda=1$. The proof of Theorem C is quite similar to that of Theorem B. The difference here is that $f$ is not integrable. For convenience of the reader we rewrite the arguments here. Since $f$ satisfies Condition $\mathcal{H}_{f}$ we can write $\log f=\psi^{+}-\psi^{-}$, where $\psi^{\pm}$ are qpsh functions on $X$, $\psi^{-}$ is locally bounded on $X\setminus D$ and there exists a uniform constant $C>0$ such that $dd^{c}\psi^{\pm}\geq-C\omega,\;\sup_{X}\psi^{+}\leq C.$ We apply the smoothing kernel $\rho_{\varepsilon}$ in Demailly regularization theorem [13] to the functions $\varphi$ and $\psi^{\pm}$. For $\varepsilon$ small enough, we get $dd^{c}\rho_{\varepsilon}(\psi^{-})\geq- C_{1}\omega,\;\;dd^{c}\rho_{\varepsilon}(\varphi+\psi^{+})\geq- C_{1}\omega,\;\;\sup_{X}\rho_{\varepsilon}(\varphi+\psi^{+})\leq C_{1},$ where $C_{1}$ depends on $C$, the Lelong numbers of the currents $C\omega+dd^{c}\psi^{\pm}$ and $\sup_{X}\varphi$. By the classical result of Yau [24], for each $\varepsilon$, there exists a unique smooth $\omega$-psh function $\phi_{\varepsilon}$ satisfying $\mathrm{MA}\,(\phi_{\varepsilon})=e^{c_{\varepsilon}+\rho_{\varepsilon}(\varphi+\psi^{+})-\rho_{\varepsilon}(\psi^{-})}\omega^{n}=g_{\varepsilon}\omega^{n},\ \ \sup_{X}\phi_{\varepsilon}=0,$ where $c_{\varepsilon}$ is a normalization constant such that $\int_{X}g_{\varepsilon}\omega^{n}=\int_{X}e^{\varphi}f\omega^{n}=\int_{X}\omega^{n}.$ Since by Jensen’s inequality $e^{\rho_{\varepsilon}(\varphi+\log f)}\leq\rho_{\varepsilon}(e^{\varphi+\log f})$ and $e^{\rho_{\varepsilon}(\varphi+\log f)}$ converges point-wise to $e^{\varphi}f$ on $X$, it follows from the general Lebesgue dominated convergence theorem that $e^{\rho_{\varepsilon}(\varphi+\log f)}$ converges to $e^{\varphi}f$ in $L^{1}(X)$ when $\varepsilon\downarrow 0$. This means that $c_{\varepsilon}$ converges to zero when $\varepsilon\rightarrow 0$. It then follows from Lemma 3.4 in [15] that $\phi_{\varepsilon}$ converges in $L^{1}(X)$ to $\varphi-\sup_{X}\varphi$. We now apply the $\mathcal{C}^{2}$ estimate in Theorem 3.2 in [15] to get $n+\Delta\phi_{\varepsilon}\leq C_{3}e^{-2\rho_{\varepsilon}(\psi^{-})}\leq C_{4}e^{-2\psi^{-}},$ where $C_{3},C_{4}$ are uniform constants (do not depend on $\varepsilon$). Now, we need to bound $\varphi$ from below. By the assumption on $f$ we have $\mathrm{MA}\,(\varphi)=e^{\varphi+\psi^{+}-\psi^{-}}\omega^{n}\leq e^{-(\psi^{-}-C_{1})}\omega^{n}.$ Consider $\psi:=\frac{1}{2C}\psi^{-}$. Since this function belongs to ${\rm PSH}(X,\omega/2)$ we can apply Lemma 4.1 to get $\varphi-\sup_{X}\varphi\geq\psi-C_{5}.$ Now the remaining part of the proof follows by exactly the same way as we have done in [15, Section 3.3]. ### 4.4. Non Integrable densities When $0\leq f\notin L^{1}(X)$ it is not clear that we can find a solution $\varphi\in\mathcal{E}(X,\omega)$ of equation $(\omega+dd^{c}\varphi)^{n}=e^{\varphi}f\omega^{n}.$ We show in the following that it suffices to find a subsolution. Another similar result has been proved by Berman and Guenancia in [5] using the variational approach. We provide here a simple proof using our generalized Monge-Ampère capacities. ###### Theorem 4.5. Let $0\leq f$ be a measurable function such that $\int_{X}f\omega^{n}=+\infty$. If there exists $u\in\mathcal{E}(X,\omega)$ such that $\mathrm{MA}\,(u)\geq e^{u}f\omega^{n}$ then there is a unique $\varphi\in\mathcal{E}(X,\omega)$ such that $\mathrm{MA}\,(\varphi)=e^{\varphi}f\omega^{n}.$ ###### Proof. The uniqueness follows easily from the comparison principle. Indeed, one can find a proof in [5, Proposition 3.1]. We now establish the existence. For each $j\in\mathbb{N}$ we can find $\varphi_{j}\in{\rm PSH}(X,\omega)\cap L^{\infty}(X)$ such that $(\omega+dd^{c}\varphi_{j})^{n}=e^{\varphi_{j}}\min(f,j)\omega^{n}.$ It follows from the comparison principle that $\varphi_{j}$ is non-increasing and $\varphi_{j}\geq u$. Then $\varphi_{j}\downarrow\varphi\in\mathcal{E}(X,\omega)$ and by continuity of the complex Monge-Ampère operator along decreasing sequence in $\mathcal{E}(X,\omega)$ we get $\mathrm{MA}\,(\varphi)=e^{\varphi}f\omega^{n}.$ Indeed, since $\mathrm{MA}\,(\varphi_{j})$ converges weakly to $\mathrm{MA}\,(\varphi)$, from Fatou’s lemma we get $\mathrm{MA}\,(\varphi)\geq e^{\varphi}f\omega^{n}$ in the sense of positive Borel measures. To get the reverse inequality we need to show that the right-hand side has full mass, i.e. $\int_{X}e^{\varphi}f\omega^{n}=\int_{X}\omega^{n}.$ Fix $\varepsilon>0$. Since $\varphi$ is $\omega$-psh, in particular quasi- continuous, we find $U$ an open subset of $X$ such that ${\rm Cap}_{\omega}(U)<\varepsilon$ and $\varphi$ is continuous on $K:=X\setminus U$. Then $\varphi$ is bounded on $K$ and hence $f$ must be integrable on $K$. We thus can apply the Lebesgue Dominated Convergence Theorem on $K$ to get $\lim_{j\to+\infty}\int_{K}\mathrm{MA}\,(\varphi_{j})=\lim_{j\to+\infty}\int_{K}e^{\varphi_{j}}\min(f,j)\omega^{n}=\int_{K}e^{\varphi}f\omega^{n}.$ We can assume that $\varphi_{j}\leq 0$. It follows from Theorem 2.9 that $\int_{U}\mathrm{MA}\,(\varphi_{j})\leq{\rm Cap}_{u,0}(U)\leq F(\varepsilon)\rightarrow 0\ \ {\rm as}\ \varepsilon\downarrow 0.$ This implies that $\displaystyle\int_{X}e^{\varphi}f\omega^{n}$ $\displaystyle\geq$ $\displaystyle\int_{K}e^{\varphi}f\omega^{n}=\lim_{j\to+\infty}\int_{K}\mathrm{MA}\,(\varphi_{j})$ $\displaystyle=$ $\displaystyle\int_{X}\mathrm{MA}\,(\varphi_{j})-\lim_{j\to+\infty}\int_{U}\mathrm{MA}\,(\varphi_{j})$ $\displaystyle\geq$ $\displaystyle\int_{X}\omega^{n}-F(\varepsilon).$ By letting $\varepsilon\to 0$ we get $\int_{X}e^{\varphi}f\omega^{n}=\int_{X}\omega^{n}$, which completes the proof. ∎ ###### Remark 4.6. Theorem 4.5 also holds if $\omega$ is merely semipositive and big. ###### Example 4.7. Let $D=\sum_{j=1}^{N}D_{j}$ be a simple normal crossing divisor on $X$. Assume that the $D_{j}$ are defined by $s_{j}=0$, where $s_{j}$ are holomorphic sections such that $|s_{j}|<1/e$. Consider the following density $f=\frac{1}{\prod_{j=1}^{N}|s_{j}|^{2}}.$ Then for suitable positive constants $C_{1},C_{2}$ the following function $\varphi:=-2\sum_{j=1}^{N}\log(-\log|s_{j}|+C_{1})-C_{2}$ is a subsolution of $\mathrm{MA}\,(\varphi)=e^{\varphi}f\omega^{n}$. In fact, it suffices to find a function $u\in\mathcal{E}(X,\omega/2)$ such that $e^{u}f$ is integrable (see Example 4.9). ### 4.5. The case of semipositive and big classes In this section we try to extend our result in Theorem C to the case of semipositive and big classes. Let $\theta$ be a smooth closed semipostive $(1,1)$-form on $X$ such that $\int_{X}\theta^{n}>0$. Assume that $E=\sum_{j=1}^{M}a_{j}E_{j}$ is an effective simple normal crossing divisor on $X$ such that $\\{\theta\\}-c_{1}(E)$ is ample. Let $0\leq f$ is a non- negative measurable function on $X$. Consider the following degenerate complex Monge-Ampère equation (4.3) $(\theta+dd^{c}\varphi)^{n}=e^{\varphi}f\omega^{n}.$ As in Theorem C we obtain here a similar regularity for solutions in $\mathcal{E}(X,\omega)$: ###### Theorem 4.8. Assume that $0<f\in\mathcal{C}^{\infty}(X\setminus D)$ satisfies Condition $\mathcal{H}_{f}$. Let $\theta$ and $E$ be as above. If there is a solution in $\mathcal{E}(X,\omega)$ of equation (4.3) then this solution is also smooth on $X\setminus(D\cup E)$. Note that in Theorem 4.8 we do not assume that $f$ is integrable on $X$. We also stress that there is at most one solution in $\mathcal{E}(X,\theta)$ (see [5]). ###### Proof. We adapt the proof of Theorem 3 in [15] where we followed essentially the ideas in [8]. Assume that $\varphi\in\mathcal{E}(X,\theta)$ is a solution to equation (4.3). By assumption on $f$ we can find a uniform constant $C>0$ such that $f=e^{\psi^{+}-\psi^{-}},\ \ dd^{c}\psi^{\pm}\geq-C\omega^{n},\ \ \sup_{X}\psi^{+}\leq C,\ \sup_{X}\varphi\leq C,\ \ \psi^{-}\in L^{\infty}_{\rm loc}(X\setminus D).$ We regularize $\varphi$ and $\psi^{\pm}$ by using the smoothing kernel $\rho_{\varepsilon}$ in Demailly’s work [13]. Then for $\varepsilon>0$ small enough we have $dd^{c}\rho_{\varepsilon}(\psi^{-})\geq- C_{1}\omega,\;\;dd^{c}\rho_{\varepsilon}(\varphi+\psi^{+})\geq- C_{1}\omega,\;\;\sup_{X}\rho_{\varepsilon}(\varphi+\psi^{+})\leq C_{1},$ where $C_{1}$ depends on $C$ and the Lelong numbers of the currents $C\omega+dd^{c}\psi^{\pm}$. For each $\varepsilon>0$ by the famous result of Yau [24] there exits a unique smooth $\phi_{\varepsilon}\in{\rm PSH}(X,\theta+\varepsilon\omega)$ normalized by $\sup_{X}\phi_{\varepsilon}=0$ such that $(\theta+\varepsilon\omega+dd^{c}\phi_{\varepsilon})^{n}=e^{c_{\varepsilon}+\varphi_{\varepsilon}+\psi^{+}_{\varepsilon}-\psi^{-}_{\varepsilon}}\omega^{n}=g_{\varepsilon}\omega^{n},$ where $c_{\varepsilon}$ is a normalized constant. As in the proof of Theorem 3 in [15] we can prove that $c_{\varepsilon}$ converges to $0$ as $\varepsilon\downarrow 0$. We then can show that $\phi_{\varepsilon}$ converges in $L^{1}$ to $\varphi-\sup_{X}\varphi$. Now, we can apply Theorem 5.1 and Theorem 5.2 in [15] to get uniform bound on $\phi_{\varepsilon}$ and $\Delta_{\omega}\phi_{\varepsilon}$ on every compact subset of $X\setminus(D\cup E)$. From this we can get the smoothness of $\varphi$ on $X\setminus(D\cup E)$ as in [15]. ∎ It follows from Theorem 4.5 (which is also valid in the case of semipositive and big classes) that to solve the equation it suffices to find a subsolution in $\mathcal{E}(X,\theta)$. We show in the following example that in some cases it is easy to find a subsolution in $\mathcal{E}(X,\theta)$. ###### Example 4.9. We consider the density given in Example 4.7. Assume that $\theta$ satisfies $\\{\theta\\}-c_{1}(E)>0$, where $E=\sum_{j=1}^{M}{a_{j}E_{j}}$ is an effective simple normal crossing divisor on $X$. Assume that $E_{j}$ is defined by the zero locus of a holomorphic section $\sigma_{j}$ such that $|\sigma_{j}|<1/e$. Then for some constants $p\in(0,1)$ and $a>0$, $A\in\mathbb{R}$ the following function $u:=-\left(-a\sum_{j=1}^{N}\log|s_{j}|-\frac{1}{2}\sum_{j=1}^{M}a_{j}\log|\sigma_{j}|\right)^{p}-A$ belongs to $\mathcal{E}(X,\theta/2)$ and verifies $\int_{X}e^{u}f\omega^{n}=2^{-n}\int_{X}\theta^{n}$. It follows from [4] that there exists $v\in\mathcal{E}(X,\theta/2)$ such that $v\leq 0$ and $(\theta/2+dd^{c}v)^{n}=e^{u}f\omega^{n}.$ It is easy to see that $\varphi:=u+v\in\mathcal{E}(X,\theta)$ is a subsolution of (4.3). ### 4.6. Critical Integrability Recently, Berndtsson [6] solved the openness conjecture of Demailly and Kollár [14] which says that given $\phi\in{\rm PSH}(X,\omega)$ and $\alpha(\phi)=\sup\\{t>0\ \ \big{|}\ \ e^{-t\phi}\in L^{1}(X)\\}<+\infty,$ then one has $e^{-\alpha\phi}\notin L^{1}(X)$ (a stronger version of the openness conjecture has been quite recently obtained by Guan and Zhou [18]). In the following result, we use the generalized capacity to show that $e^{-\alpha\phi}$ is however not far to be integrable in the following sense: ###### Theorem 4.10. Let $\phi\in{\rm PSH}(X,\omega)$ and $\alpha=\alpha(\phi)\in(0,+\infty)$ be the canonical threshold of $\phi$. Then we can find $\varphi\in{\rm PSH}(X,\omega)$ having zero Lelong number at all points of $X$ such that $\int_{X}e^{\varphi-\alpha\phi}\omega^{n}<+\infty.$ One can moreover chose $\varphi=\chi\circ\phi\in\mathcal{E}(X,\omega)$ for some $\chi$ increasing convex function. We thank S. Boucksom and H. Guenancia for indicating this. ###### Proof. Let $\alpha_{j}$ be an increasing sequence of positive numbers which converges to $\alpha$. By assumption we have $e^{-\alpha_{j}\phi}$ is integrable on $X$. We can assume that $\phi\leq 0$. We solve the complex Monge-Ampère equation $(\omega+dd^{c}\varphi_{j})^{n}=e^{\varphi_{j}-\alpha_{j}\phi}\omega^{n}.$ For each $j$, since $e^{-\alpha_{j}\phi}$ belongs to $L^{p_{j}}$ for some $p_{j}>1$, it follows from the classical result of Kołodziej [21] that $\varphi_{j}$ is bounded. Moreover, the comparison principle reveals that $\varphi_{j}$ is non-increasing. Now, we need to bound $\varphi_{j}$ uniformly from below by some singular quasi-psh function. Let $1/2>\varepsilon>0$ be a very small positive number. By assumption we know that $e^{(\varepsilon-\alpha)\phi}\in L^{p}(X),\ \ p=p_{\varepsilon}:=\frac{\alpha-\varepsilon/2}{\alpha-\varepsilon}>1.$ Set $\psi:=\varepsilon\phi\in{\rm PSH}(X,\omega/2)$ and consider the function $H(t):=\left[{\rm Cap}_{\psi}(\varphi_{j}<\psi-t)\right]^{1/n},\ \ t>0.$ It follows from [15, Lemma 2.7] that ${\rm Cap}_{\omega}\leq 2^{n}{\rm Cap}_{\psi}$. By a strong volume-capacity domination in [19, Remark 5.10] we also have ${\rm Vol}_{\omega}\leq\exp{\left(\frac{-C_{1}}{{\rm Cap}_{\omega}^{1/n}}\right)},$ where $C_{1}$ depends only on $(X,\omega)$. Fix $t>0,s\in[0,1]$. Using [15, Proposition 2.8] and Hölder inequality we get $\displaystyle s^{n}{\rm Cap}_{\psi}(\\{\varphi_{j}<\psi-t-s\\})$ $\displaystyle\leq$ $\displaystyle\int_{\\{\varphi_{j}<\psi-t\\}}\mathrm{MA}\,(\varphi_{j})$ $\displaystyle\leq$ $\displaystyle\int_{\\{\varphi_{j}<\psi-t\\}}e^{-\varphi_{j}}e^{\psi}\mathrm{MA}\,(\varphi_{j})$ $\displaystyle\leq$ $\displaystyle\int_{\\{\varphi_{j}<\psi-t\\}}e^{(\varepsilon-\alpha)\phi}\omega^{n}$ $\displaystyle\leq$ $\displaystyle\left[\int_{X}e^{(\varepsilon/2-\alpha)\phi}\omega^{n}\right]^{1/p}\left[\int_{\\{\varphi_{j}<\psi-t\\}}\omega^{n}\right]^{1/q}$ $\displaystyle\leq$ $\displaystyle C_{2}\left[{\rm Cap}_{\psi}(\\{\varphi_{j}<\psi-t\\})\right]^{2},$ where $p=p_{\varepsilon}:=\frac{\alpha-\varepsilon/2}{\alpha-\varepsilon}>1$ and $q>1$ is the exponent conjugate of $p$. The constant $C_{2}>0$ depends on $\varepsilon$ and also on $\int_{X}e^{(\varepsilon/2-\alpha)\phi}\omega^{n}$. We then get $sH(t+s)\leq C_{2}^{1/n}H(t)^{2},\ \forall t>0,\forall s\in[0,1].$ Then by [17, Lemma 2.4] we get $\varphi_{j}\geq\varepsilon\phi-C_{\varepsilon},$ where $C_{\varepsilon}$ only depends on $\varepsilon$ and $\int_{X}e^{(\varepsilon/2-\alpha)\phi}\omega^{n}$. Then we see that $\varphi_{j}$ decreases to $\varphi\in{\rm PSH}(X,\omega)$ and $\varphi$ satisfies $\varphi\geq\varepsilon\phi-C_{\varepsilon}.$ Since $\varepsilon$ is arbitrarily small we conclude that $\varphi$ has zero Lelong number everywhere on $X$. Finally, it follows from Fatou’s lemma that $e^{\varphi-\alpha\phi}$ is integrable on $X$. We now show that $\varphi$ can be chosen to be in $\mathcal{E}(X,\omega)$, more precisely $\varphi=\chi\circ\phi$, $\int_{X}e^{\chi\circ\phi-\alpha\phi}\omega^{n}<+\infty,$ for some $\chi:\mathbb{R}^{-}\rightarrow\mathbb{R}^{-}$ increasing convex function such that $\chi(-\infty)=-\infty$ and $\chi^{\prime}(-\infty)=0$. Note that $\chi\circ\phi\in\mathcal{E}(X,\omega)$ thanks to [12]. We are grateful to H. Guenancia for the following constructive proof. We can always assume that $\phi\leq-1$. For each $k\in\mathbb{N}$ let (4.4) $a_{k}:=\log\int_{X}e^{-(\alpha-2^{-k-1})\phi}\omega^{n}<+\infty.$ Define the sequence $(c_{k})$ inductively by (4.5) $c_{1}=a_{1},\ c_{k+1}:=\max(c_{k}+4k,a_{k+1}),\ \forall k\geq 1.$ Define another sequence $(t_{k})$ by (4.6) $t_{1}:=1,\ t_{k+1}:=2^{k+1}(c_{k+1}-c_{k}),\ \forall k\geq 1.$ Define $\chi:(-\infty,-1]\rightarrow\mathbb{R}^{-}$ by $\chi(-t):=-2^{-k}t-c_{k}\ \ {\rm if}\ \ t\in[t_{k},t_{k+1}],\ \forall k\geq 1.$ It follows from (4.4) that $e^{(\alpha-2^{-k-1})t}\ {\rm Vol}(\phi<-t)\leq\int_{X}e^{-(\alpha-2^{-k-1})\phi}\omega^{n}\leq e^{c_{k}}.$ Thus using (4.5), (4.6) and the above inequality we get $\displaystyle\int_{X}e^{\chi(\phi)-\alpha\phi}\omega^{n}$ $\displaystyle\leq$ $\displaystyle e^{\chi(-1)+\alpha}+\alpha\int_{1}^{+\infty}e^{\alpha t+\chi(-t)}{\rm Vol}(\phi<-t)dt$ $\displaystyle\leq$ $\displaystyle C+\alpha\sum_{k=1}^{+\infty}\int_{t_{k}}^{t_{k+1}}e^{\alpha t+\chi(-t)}\ {\rm Vol}(\phi<-t)dt$ $\displaystyle\leq$ $\displaystyle C+\alpha\sum_{k=1}^{+\infty}\int_{t_{k}}^{t_{k+1}}e^{c_{k}+2^{-k-1}t-2^{-k}t-c_{k}}dt$ $\displaystyle\leq$ $\displaystyle C+\alpha\sum_{k=1}^{+\infty}\int_{t_{k}}^{t_{k+1}}e^{-2^{-k-1}t}dt$ $\displaystyle\leq$ $\displaystyle C+\alpha\sum_{k=1}^{+\infty}2^{k+1}e^{-2^{-k-1}t_{k}}$ $\displaystyle\leq$ $\displaystyle C+\alpha\sum_{k=1}^{+\infty}2^{k+1}e^{-2^{-1}(c_{k}-c_{k-1})}$ $\displaystyle\leq$ $\displaystyle C+\alpha\sum_{k=1}^{+\infty}2^{k+1}e^{-2(k-1)}$ $\displaystyle\leq$ $\displaystyle C+4\alpha.$ ∎ The above result is quite optimal as the following example shows: ###### Example 4.11. Let $(X,\omega)$ be a compact Kähler manifold and $D$ be a smooth complex hypersurface on $X$ defined by a holomorphic section $s$ such that $|s|\leq 1/e$. Consider (4.7) $\phi=2\log|s|-(-\log|s|)^{p},\ \ p\in(0,1).$ By rescaling $\omega$ we can assume that $\phi\in{\rm PSH}(X,\omega)$. Then for any $q>0$ $\int_{X}\frac{e^{-\phi}}{(-\phi)^{q}}\omega^{n}=+\infty.$ The example above has been given in [1] in the case of one complex variable which is locally similar to our setting. Assume now that $\phi$ is given by (4.7). It follows from Theorem 4.10 that we can find $\varphi\in{\rm PSH}(X,\omega)$ having zero Lelong number everywhere such that $\int_{X}e^{\varphi-\phi}\omega^{n}<+\infty.$ In this concrete example one such function $\varphi$ can be given explicitly by $\varphi=-(\log|s|)^{p}-(1+\varepsilon)\log(\log|s|),\ \varepsilon>0.$ ###### Proof of Theorem D. It follows from the above proof of Theorem 4.10 that there exists $u\in\mathcal{E}(X,\omega/2)$ such that $e^{u-\alpha\phi}$ is integrable. We then can argue as in Example 4.9 to find a subsolution which also yields a solution thanks to Theorem 4.5. The uniqueness follows from the comparison principle (see [5]). ∎ ## References * [1] P. Ahag, U. Cegrell, S. Kolodziej, , H. H. Pham, A. Zeriahi, Partial pluricomplex energy and integrability exponents of plurisubharmonic functions, Advances Math. 222 (2009), 2036–2058. * [2] E. Bedford, B. A. Taylor, A new capacity for plurisubharmonic functions, Acta Math. 149 (1982), no. 1-2, 1-40. * [3] S. Benelkourchi, V. Guedj, A. Zeriahi, Plurisubharmonic functions with weak singularities, Acta Univ. Upsaliensis Skr. Uppsala Univ. C Organ. Hist. Vol. 86 (2009), 57-74. * [4] R. J. Berman, S. Boucksom, V. Guedj, A. Zeriahi, A variational approach to complex Monge-Ampère equations, Publ. Math. Inst. Hautes Études Sci. 117 (2013), 179-245. * [5] R. J. 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arxiv-papers
2014-02-11T14:21:10
2024-09-04T02:49:58.061108
{ "license": "Public Domain", "authors": "Eleonora Di Nezza and Chinh H. Lu", "submitter": "Chinh Lu Hoang", "url": "https://arxiv.org/abs/1402.2497" }
1402.2539
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2014-016 LHCb-PAPER-2013-066 25 March 2014 Measurement of $\Upsilon$ production in $\mathrm{p}\mathrm{p}$ collisions at $\sqrt{s}=2.76\mathrm{\,Te\kern-2.07413ptV}$ The LHCb collaboration111Authors are listed on the following pages. The production of $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ mesons decaying into the dimuon final state is studied with the LHCb detector using a data sample corresponding to an integrated luminosity of $3.3\mbox{\,pb}^{-1}$ collected in proton-proton collisions at a centre-of-mass energy of $\sqrt{s}=2.76$ TeV. The differential production cross-sections times dimuon branching fractions are measured as functions of the $\Upsilon$ transverse momentum and rapidity, over the ranges $p_{\rm T}<15$ GeV/$c$ and $2.0<y<4.5$. The total cross-sections in this kinematic region, assuming unpolarised production, are measured to be $\displaystyle\upsigma\left(\mathrm{p}\mathrm{p}\rightarrow\Upsilon(1\mathrm{S})\mathrm{X}\right)\times{\cal B}\left(\Upsilon(1\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}\right)$ $\displaystyle=$ $\displaystyle 1.111\pm 0.043\pm 0.044\rm\,nb,$ $\displaystyle\upsigma\left(\mathrm{p}\mathrm{p}\rightarrow\Upsilon(2\mathrm{S})\mathrm{X}\right)\times{\cal B}\left(\Upsilon(2\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}\right)$ $\displaystyle=$ $\displaystyle 0.264\pm 0.023\pm 0.011\rm\,nb,$ $\displaystyle\upsigma\left(\mathrm{p}\mathrm{p}\rightarrow\Upsilon(3\mathrm{S})\mathrm{X}\right)\times{\cal B}\left(\Upsilon(3\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}\right)$ $\displaystyle=$ $\displaystyle 0.159\pm 0.020\pm 0.007\rm\,nb,$ where the first uncertainty is statistical and the second systematic. Submitted to Eur. Phys. J. C © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij41, B. Adeva37, M. Adinolfi46, A. Affolder52, Z. Ajaltouni5, J. Albrecht9, F. Alessio38, M. Alexander51, S. Ali41, G. Alkhazov30, P. Alvarez Cartelle37, A.A. Alves Jr25, S. Amato2, S. Amerio22, Y. Amhis7, L. Anderlini17,g, J. Anderson40, R. Andreassen57, M. Andreotti16,f, J.E. Andrews58, R.B. Appleby54, O. Aquines Gutierrez10, F. Archilli38, A. Artamonov35, M. Artuso59, E. Aslanides6, G. Auriemma25,n, M. Baalouch5, S. Bachmann11, J.J. Back48, A. Badalov36, V. Balagura31, W. Baldini16, R.J. Barlow54, C. Barschel39, S. Barsuk7, W. Barter47, V. Batozskaya28, Th. Bauer41, A. Bay39, J. Beddow51, F. Bedeschi23, I. Bediaga1, S. Belogurov31, K. Belous35, I. Belyaev31, E. Ben-Haim8, G. Bencivenni18, S. Benson50, J. Benton46, A. Berezhnoy32, R. Bernet40, M.-O. Bettler47, M. van Beuzekom41, A. Bien11, S. Bifani45, T. Bird54, A. Bizzeti17,i, P.M. Bjørnstad54, T. Blake48, F. Blanc39, J. Blouw10, S. Blusk59, V. Bocci25, A. Bondar34, N. Bondar30, W. Bonivento15,38, S. 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Xing59, Z. Yang3, X. Yuan3, O. Yushchenko35, M. Zangoli14, M. Zavertyaev10,b, F. Zhang3, L. Zhang59, W.C. Zhang12, Y. Zhang3, A. Zhelezov11, A. Zhokhov31, L. Zhong3, A. Zvyagin38. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Milano, Milano, Italy 22Sezione INFN di Padova, Padova, Italy 23Sezione INFN di Pisa, Pisa, Italy 24Sezione INFN di Roma Tor Vergata, Roma, Italy 25Sezione INFN di Roma La Sapienza, Roma, Italy 26Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 27AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 28National Center for Nuclear Research (NCBJ), Warsaw, Poland 29Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 30Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 31Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 32Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 33Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 34Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 35Institute for High Energy Physics (IHEP), Protvino, Russia 36Universitat de Barcelona, Barcelona, Spain 37Universidad de Santiago de Compostela, Santiago de Compostela, Spain 38European Organization for Nuclear Research (CERN), Geneva, Switzerland 39Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 40Physik-Institut, Universität Zürich, Zürich, Switzerland 41Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 42Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 43NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 44Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 45University of Birmingham, Birmingham, United Kingdom 46H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 47Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 48Department of Physics, University of Warwick, Coventry, United Kingdom 49STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 50School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 51School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 52Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 53Imperial College London, London, United Kingdom 54School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 55Department of Physics, University of Oxford, Oxford, United Kingdom 56Massachusetts Institute of Technology, Cambridge, MA, United States 57University of Cincinnati, Cincinnati, OH, United States 58University of Maryland, College Park, MD, United States 59Syracuse University, Syracuse, NY, United States 60Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 61Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 62National Research Centre Kurchatov Institute, Moscow, Russia, associated to 31 63Instituto de Fisica Corpuscular (IFIC), Universitat de Valencia-CSIC, Valencia, Spain, associated to 36 64KVI - University of Groningen, Groningen, The Netherlands, associated to 41 65Celal Bayar University, Manisa, Turkey, associated to 38 aUniversidade Federal do Triângulo Mineiro (UFTM), Uberaba-MG, Brazil bP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia cUniversità di Bari, Bari, Italy dUniversità di Bologna, Bologna, Italy eUniversità di Cagliari, Cagliari, Italy fUniversità di Ferrara, Ferrara, Italy gUniversità di Firenze, Firenze, Italy hUniversità di Urbino, Urbino, Italy iUniversità di Modena e Reggio Emilia, Modena, Italy jUniversità di Genova, Genova, Italy kUniversità di Milano Bicocca, Milano, Italy lUniversità di Roma Tor Vergata, Roma, Italy mUniversità di Roma La Sapienza, Roma, Italy nUniversità della Basilicata, Potenza, Italy oAGH - University of Science and Technology, Faculty of Computer Science, Electronics and Telecommunications, Kraków, Poland pLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain qHanoi University of Science, Hanoi, Viet Nam rUniversità di Padova, Padova, Italy sUniversità di Pisa, Pisa, Italy tScuola Normale Superiore, Pisa, Italy uUniversità degli Studi di Milano, Milano, Italy ## 1 Introduction Studies of the production of heavy quark-antiquark bound systems, such as the $\mathrm{b}\overline{}\mathrm{b}$ states $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ (indicated generically as $\Upsilon$ in the following) in hadron-hadron interactions probe the dynamics of the colliding partons and provide a unique insight into quantum chromodynamics (QCD). The total production cross-sections and spin configurations of these heavy quarkonium states are currently not reproduced by the theoretical models. These include the colour singlet model [1, 2, 3, 4, 5], recently improved by adding higher-order contributions [6, 7], the colour- evaporation model [8], and the non-perturbative colour octet mechanism [9, 10, 11], which is investigated in the framework of non-relativistic QCD. The first complete next-to-leading order calculation of $\Upsilon$ production properties [12], based on the non-relativistic QCD factorisation scheme, provides a good description of the measured differential cross-sections at large transverse momentum, $p_{\rm T}$, but overestimates the data at low $p_{\rm T}$. The production of $\Upsilon$ mesons in proton-proton ($\mathrm{p}\mathrm{p}$) collisions occurs either directly in parton scattering or via feed-down from the decay of heavier prompt bottomonium states, like $\upchi_{\mathrm{b}}$ [13, 14, 15, 16], or higher-mass $\Upsilon$ states. The latter source complicates the theoretical description of bottomonium production [17, 18]. The Large Hadron Collider provides a unique possibility to study bottomonium and charmonium hadroproduction in $\mathrm{p}\mathrm{p}$ interactions at different collision energies and discriminate between various theoretical approaches. This study presents the first measurement of the inclusive production cross-sections of the three considered $\Upsilon$ mesons in $\mathrm{p}\mathrm{p}$ collisions at a centre-of-mass energy of $\sqrt{s}=2.76\mathrm{\,Te\kern-1.00006ptV}$. The measurements are performed as functions of the $\Upsilon$ transverse momentum and rapidity, $y$, separately in six bins of $p_{\rm T}$ in the range $\mbox{$p_{\rm T}$}<15{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and five bins of $y$ in the range $2.0<y<4.5$. The results are reported as products of the cross-sections and the branching fractions of $\Upsilon$ mesons into the dimuon final state. This analysis is complementary to those performed by the ATLAS [19], CMS [20] and LHCb [21, 22] collaborations and allows studies of the $\Upsilon$ production cross-section at forward rapidities as a function of the centre-of-mass energy. ## 2 Detector and data sample The LHCb detector [23] is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $\mathrm{b}$ or $\mathrm{c}$ quarks. The detector includes a high- precision tracking system consisting of a silicon-strip vertex detector surrounding the $\mathrm{p}\mathrm{p}$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes placed downstream. The combined tracking system provides a momentum measurement with relative uncertainty that varies from 0.4% at 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6% at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and impact parameter resolution of 20$\,\upmu\rm m$ for tracks with large transverse momentum. Different types of charged hadrons are distinguished by information from two ring-imaging Cherenkov detectors [24]. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and preshower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers [25]. The analysis is carried out using a sample of data corresponding to an integrated luminosity of $3.3\mbox{\,pb}^{-1}$ collected in $\mathrm{p}\mathrm{p}$ collisions at $\sqrt{s}=2.76\mathrm{\,Te\kern-1.00006ptV}$. Events of interest are preselected by a trigger consisting of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage, which applies a full event reconstruction. The presence of two muon candidates with the product of their $p_{\rm T}$ larger than 1.68 $($GeV$/c$$)^{2}$ is required in the hardware trigger. At the software stage, the events are required to contain two well reconstructed tracks with hits in the muon system, having total and transverse momenta greater than $6{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $0.5{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, respectively. The selected muon candidates are further required to originate from a common vertex and have an invariant mass larger than $4.7{\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$. To determine the acceptance, reconstruction and trigger efficiencies, fully simulated signal samples are reweighted to reproduce the multiplicity distributions for reconstructed primary vertices, tracks and hits in the detector observed in the data. The simulation is performed using the LHCb configuration [26] of the Pythia 6.4 event generator [27]. Here, decays of hadronic particles are described by EvtGen [28] in which final-state photons are generated using Photos [29]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [30, 31] as described in Ref. [32]. ## 3 Signal selection and cross-section determination The selection strategy used in the previous LHCb studies on $\Upsilon$ production [21, 22] is applied here. It includes selection criteria that ensure good quality track and vertex reconstruction. In addition, the muon candidates are required to have $p>10{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $\mbox{$p_{\rm T}$}>1{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. To further reduce background contamination, a set of additional requirements is employed in this analysis. It consists of tightened criteria on track quality [33], muon identification [34] and a good quality of a global fit of the dimuon vertex with a primary vertex constraint [35]. The invariant mass distribution of the selected $\Upsilon\\!\rightarrow\upmu^{+}\upmu^{-}$ candidates is shown in Fig. 1 for the full kinematic range. The distribution is described by a function similar to the one used in the previous studies on $\Upsilon$ production [21, 22]. It models the signal component using the sum of three Crystal Ball functions [36], one for each of the $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ signals, and includes an exponential component to account for combinatorial background. The position and width of the Crystal Ball function describing the $\Upsilon(1\mathrm{S})$ meson are allowed to vary, while the mass differences between $\Upsilon$ states are fixed to their known values [37] along with parameters describing the radiative tail, as determined from simulation studies. The widths of the $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ peaks are constrained to the value of the width of the $\Upsilon(1\mathrm{S})$ signal scaled by the ratio of their masses to the $\Upsilon(1\mathrm{S})$ mass. In total, five parameters are extracted from the fit for the signal component: the yields of $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ states, the $\Upsilon(1\mathrm{S})$ mass resolution and its peak position. The latter is found to be consistent with the known mass of the $\Upsilon(1\mathrm{S})$ meson [37], while reasonable agreement is observed between the data and simulation for the $\Upsilon(1\mathrm{S})$ mass resolution. LHCb$\sqrt{s}$=2.76$\mathrm{\,Te\kern-1.00006ptV}$$m_{\upmu^{+}\upmu^{-}}$$\left[\\!{\mathrm{\,Ge\kern-1.20007ptV\\!/}c^{2}}\right]$ Candidates/(50${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$) Figure 1: Invariant mass distribution of selected $\Upsilon\\!\rightarrow\upmu^{+}\upmu^{-}$ candidates with $\mbox{$p_{\rm T}$}<15{\mathrm{\,Ge\kern-0.90005ptV\\!/}c}$ and $2.0<y<4.5$. The result of the fit described in the text is illustrated with a red solid line, while the signal and background components are shown with magenta dotted and blue dashed lines, respectively. The three peaks correspond to the $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ mesons (from left to right). The $\Upsilon$ production cross-sections are measured separately in six bins of $p_{\rm T}$ and five bins of $y$ since the limited amount of data does not allow a measurement of double differential cross-sections. For a given $p_{\rm T}$ or $y$ bin, the differential cross-section for the inclusive $\Upsilon$ production of the three different states decaying into the dimuon final state is determined as $\dfrac{{\mathrm{d}}\upsigma\left(\mathrm{p}\mathrm{p}\rightarrow\Upsilon{\mathrm{X}}\right)}{\mathrm{d}\mbox{$p_{\rm T}$}}\times\mathcal{B}\left(\Upsilon\\!\rightarrow\upmu^{+}\upmu^{-}\right)=\dfrac{N^{\mathrm{corr}}_{\Upsilon}}{\mathcal{L}\times\Delta\mbox{$p_{\rm T}$}}\;,$ (1a) $\dfrac{{\mathrm{d}}\upsigma\left(\mathrm{p}\mathrm{p}\rightarrow\Upsilon{\mathrm{X}}\right)}{\mathrm{d}y}\times\mathcal{B}\left(\Upsilon\\!\rightarrow\upmu^{+}\upmu^{-}\right)=\dfrac{N^{\mathrm{corr}}_{\Upsilon}}{\mathcal{L}\times\Delta y}\;,$ (1b) where $N^{\mathrm{corr}}_{\Upsilon}$ is the efficiency-corrected yield of $\Upsilon\\!\rightarrow\upmu^{+}\upmu^{-}$ decays, $\mathcal{L}$ stands for the integrated luminosity and $\Delta\mbox{$p_{\rm T}$}\,(\Delta y)$ denotes the $\mbox{$p_{\rm T}$}\,(y)$ bin size. For the mass fits in individual $p_{\rm T}$ and $y$ bins, the $\Upsilon(1\mathrm{S})$ peak position is fixed to the value obtained from the fit for the full kinematic range, while the $\Upsilon(1\mathrm{S})$ mass resolution is parameterised with a function of $p_{\rm T}$ and $y$ using simulation. The total observed signal yields and their statistical uncertainties for $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ mesons obtained by summation over $\mbox{$p_{\rm T}$}\,(y)$ bins are $1139\pm 37\,(1145\pm 37)$, $271\pm 20\,(270\pm 20)$ and $158\pm 16\,(156\pm 16)$, respectively. These results are in good agreement with the total signal yields obtained from the fit to the reconstructed dimuon invariant mass for the full kinematic range. Based on the mass fit results in individual bins, the efficiency-corrected yield for each kinematic region is determined as $N^{\mathrm{corr}}_{\Upsilon}=\sum_{i}\dfrac{w^{\Upsilon}_{i}}{\varepsilon^{\mathrm{tot}}_{i}}\;,$ (2) where $w^{\Upsilon}_{i}$ is a signal weight factor, $\varepsilon^{\mathrm{tot}}_{i}$ is the total signal event efficiency and the sum runs over all candidates $i$. The $w^{\Upsilon}_{i}$ factor accounts for the background subtraction and is obtained from the fit using the sPlot technique [38]. The total signal event efficiency is calculated for each $\Upsilon\\!\rightarrow\upmu^{+}\upmu^{-}$ candidate as $\varepsilon^{\mathrm{tot}}=\varepsilon^{\mathrm{acc}}\times\varepsilon^{\mathrm{rec}}\times\varepsilon^{\mathrm{trg}}\times\varepsilon^{\upmu\mathrm{ID}}\;,$ (3) where $\varepsilon^{\mathrm{acc}}$ is the detector acceptance, $\varepsilon^{\mathrm{rec}}$ is the reconstruction and selection efficiency, $\varepsilon^{\mathrm{trg}}$ is the trigger efficiency and $\varepsilon^{\upmu\mathrm{ID}}$ is the efficiency of muon identification. The efficiencies $\varepsilon^{\mathrm{acc}}$, $\varepsilon^{\mathrm{rec}}$ and $\varepsilon^{\mathrm{trg}}$ are determined using simulation and further corrected using data-driven techniques to account for small differences in muon reconstruction efficiency between data and simulation [34, 33, 39]. The efficiency $\varepsilon^{\upmu\mathrm{ID}}$ is measured directly from data using a tag-and-probe method on a large sample of ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}\rightarrow\upmu^{+}\upmu^{-}$ decays. The total efficiency-corrected signal yields obtained by summation over $\mbox{$p_{\rm T}$}\,(y)$ bins for $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ mesons are $3678\pm 144\,(3684\pm 143)$, $875\pm 76\,(869\pm 75)$ and $527\pm 65\,(515\pm 64)$, respectively. The integrated luminosity of the data sample is estimated with the beam-gas imaging method [40, 41, 42, 43, 44]. It is based on the beam currents and the measurements of the angles, offsets and transverse profiles of the two colliding bunches, which is achieved by reconstructing beam-gas interaction vertices. ## 4 Systematic uncertainties Previous LHCb studies of $\Upsilon$ production [21, 22] showed that the signal efficiency depends on the initial polarisation of $\Upsilon$ mesons. This property was measured in $\mathrm{p}\mathrm{p}$ collisions at $\sqrt{s}=7\mathrm{\,Te\kern-1.00006ptV}$ by the CMS collaboration at central rapidities and large $p_{\rm T}$ and was found to be small [45]. Polarisation of other vector quarkonium states, such as ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}$ and $\uppsi\mathrm{(2S)}$ mesons was studied in $\mathrm{p}\mathrm{p}$ collisions at $\sqrt{s}=7\mathrm{\,Te\kern-1.00006ptV}$ by the LHCb [46, 47] and ALICE [48] collaborations and was also found to be small. This analysis is performed assuming zero polarisation of $\Upsilon$ mesons and no corresponding systematic uncertainty is assigned. Table 1: Relative systematic uncertainties (in $\%$) affecting the $\Upsilon$ production cross-section measurements in the full kinematic region. The total uncertainties are obtained by adding the individual effects in quadrature. Source | $\Upsilon(1\mathrm{S})$ | $\Upsilon(2\mathrm{S})$ | $\Upsilon(3\mathrm{S})$ ---|---|---|--- Luminosity | 2.3 | 2.3 | 2.3 Fit model and range | 0.5 | 1.0 | 2.3 Data-simulation agreement | | | Radiative tails | 1.0 | 1.0 | 1.0 Multiplicity reweighting | 0.6 | 0.4 | 2.0 Efficiency corrections | 0.7 | 1.0 | 1.0 Track reconstruction | $2\times 0.4$ | $2\times 0.4$ | $2\times 0.4$ Selection variables | 1.0 | 1.0 | 1.0 Trigger | 2.0 | 2.0 | 2.0 Total | 3.6 | 3.7 | 4.7 The systematic uncertainties affecting the $\Upsilon$ cross-section measurements presented in this paper are summarised in Table 1. These uncertainties are strongly correlated between bins. The largest contribution arises from the absolute luminosity scale, which is determined with a 2.3% uncertainty. It is dominated by the vertex resolution of beam-gas interactions and detector alignment [44]. The influence of the signal extraction technique is studied by varying the fit range and the signal and background parameterisations used in the fit model. The fits are also performed with floating mass and resolution of the $\Upsilon(1\mathrm{S})$ peak and without constraints for the $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ masses. The spread of the extracted signal yields between these scenarios is taken as the corresponding systematic uncertainty. It ranges from 0.4 to 33% for different $\mbox{$p_{\rm T}$}\,(y)$ bins and amounts to 0.5%, 1.0% and 2.3% for the $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ cross-section measurements in the full kinematic region, respectively. The possible mismodeling of bremsstrahlung simulation for the radiative tail and its effect on the signal shape was addressed in the previous LHCb analysis [22]. It leads to an additional uncertainty of 1.0%. Several systematic uncertainties are related to the determination of the total efficiency components in Eq. (3). The detector acceptance, reconstruction and selection efficiencies are determined using simulated samples. These are corrected using an iterative procedure to match the multiplicity distributions for reconstructed primary vertices, tracks and hits in the detector with those observed in data. The systematic uncertainty associated with this reweighting procedure is assessed by varying the number of iterative steps. It ranges from 0.4 to 4.8% for different $\mbox{$p_{\rm T}$}\,(y)$ bins and is found to be 0.6%, 0.4% and 2.0% for the $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ cross-section measurements in the full kinematic region, respectively. The $\varepsilon^{\mathrm{rec}}$ efficiency is corrected using data-driven techniques for a small difference in the muon reconstruction efficiency between data and simulation [34, 33]. The $\varepsilon^{\upmu\mathrm{ID}}$ efficiency is determined from data using alternative methods, based on a tag- and-probe approach on a large sample of ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}\rightarrow\upmu^{+}\upmu^{-}$ decays. The difference between these methods is taken as the corresponding systematic uncertainty. It is combined with the uncertainties associated with the correction factors discussed above and propagated to the $\Upsilon$ cross-section measurements using 400 pseudo- experiments. The resulting uncertainty ranges from 1.0 to 13% for different $\mbox{$p_{\rm T}$}\,(y)$ bins and amounts to 0.7%, 1.0% and 1.0% for the $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ cross-section measurements in the full kinematic region, respectively. To account for differences between the actual tracking efficiency and that estimated with simulation using data-driven techniques [33, 39], a systematic uncertainty of 0.4% is assigned per track. Good agreement between the data and reweighted simulation is observed for all selection variables used in this analysis, in particular for the $\chi^{2}$ of the dimuon vertex fit and the $\chi^{2}$ of the global fit [35]. The discrepancies do not exceed 1.0%, which is conservatively taken as a systematic uncertainty to account for the disagreement between the data and simulation. The systematic uncertainty associated with the trigger requirements is assessed by studying the performance of the dimuon trigger, described in Sect. 2, for events selected using the single muon high-$p_{\rm T}$ trigger [49]. The fractions of signal $\Upsilon(1\mathrm{S})$ events selected using both trigger requirements are compared for the data and simulation in bins of dimuon $p_{\rm T}$, and a systematic uncertainty of 2.0% is assigned. ## 5 Results The integrated $\Upsilon$ production cross-sections times dimuon branching fractions in the kinematic region $\mbox{$p_{\rm T}$}<15{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $2.0<y<4.5$ are measured to be $\displaystyle\upsigma\left(\mathrm{p}\mathrm{p}\rightarrow\Upsilon(1\mathrm{S})\mathrm{X}\right)\times{\cal B}\left(\Upsilon(1\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}\right)$ $\displaystyle=$ $\displaystyle 1.111\pm 0.043\pm 0.044\rm\,nb,$ $\displaystyle\upsigma\left(\mathrm{p}\mathrm{p}\rightarrow\Upsilon(2\mathrm{S})\mathrm{X}\right)\times{\cal B}\left(\Upsilon(2\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}\right)$ $\displaystyle=$ $\displaystyle 0.264\pm 0.023\pm 0.011\rm\,nb,$ $\displaystyle\upsigma\left(\mathrm{p}\mathrm{p}\rightarrow\Upsilon(3\mathrm{S})\mathrm{X}\right)\times{\cal B}\left(\Upsilon(3\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}\right)$ $\displaystyle=$ $\displaystyle 0.159\pm 0.020\pm 0.007\rm\,nb,$ where the first uncertainty is statistical and the second systematic. The single differential cross-sections times dimuon branching fractions are shown as functions of $p_{\rm T}$ and $y$ in Fig. 2 and summarised in Table 2. The total uncertainties of the results are dominated by statistical effects in all $p_{\rm T}$ and $y$ bins. In addition to the data, Fig. 2 reports theoretical predictions, based on the next-to-leading order non-relativistic QCD calculation [18], for the $\Upsilon$ differential cross-sections in the kinematic region $6<\mbox{$p_{\rm T}$}<15{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $2.0<y<4.5$. The long-distance matrix elements used in the calculations are fitted to CDF [50] and D0 [51] results for $\Upsilon(1\mathrm{S})$ production in $\mathrm{p}\overline{}\mathrm{p}$ collisions at $\sqrt{s}=1.8$ and 1.96$\mathrm{\,Te\kern-1.00006ptV}$. The predictions include the feed-down contributions from higher excited S-wave and P-wave $\mathrm{b}\overline{}\mathrm{b}$ states. Good agreement between the data and predictions is found for all three $\Upsilon$ states. The dependence of the $\Upsilon$ cross-sections on $y$ is found to be more pronounced than at higher collision energies [21, 22], which is in line with theoretical expectations presented for example in Ref. [52]. LHCb$\Upsilon(1\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}$LHCb$\Upsilon(1\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}$LHCb$\Upsilon(2\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}$LHCb$\Upsilon(2\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}$LHCb$\Upsilon(3\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}$LHCb$\Upsilon(3\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}$$p_{\rm T}$$\left[\\!{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}\right]$$y$$p_{\rm T}$$\left[\\!{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}\right]$$y$$p_{\rm T}$$\left[\\!{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}\right]$$y$ $\mathcal{B}_{\Upsilon(1\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}}\times\tfrac{\mathrm{d}\upsigma}{\mathrm{d}\mbox{$p_{\rm T}$}}~{}\left[\tfrac{\mathrm{nb}}{{\mathrm{\,Ge\kern-0.63004ptV\\!/}c}}\right]$ $\mathcal{B}_{\Upsilon(1\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}}\times\tfrac{\mathrm{d}\upsigma}{\mathrm{d}y}~{}\left[\mathrm{nb}\right]$ $\mathcal{B}_{\Upsilon(2\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}}\times\tfrac{\mathrm{d}\upsigma}{\mathrm{d}\mbox{$p_{\rm T}$}}~{}\left[\tfrac{\mathrm{nb}}{{\mathrm{\,Ge\kern-0.63004ptV\\!/}c}}\right]$ $\mathcal{B}_{\Upsilon(2\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}}\times\tfrac{\mathrm{d}\upsigma}{\mathrm{d}y}~{}\left[\mathrm{nb}\right]$ $\mathcal{B}_{\Upsilon(3\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}}\times\tfrac{\mathrm{d}\upsigma}{\mathrm{d}\mbox{$p_{\rm T}$}}~{}\left[\tfrac{\mathrm{nb}}{{\mathrm{\,Ge\kern-0.63004ptV\\!/}c}}\right]$ $\mathcal{B}_{\Upsilon(3\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}}\times\tfrac{\mathrm{d}\upsigma}{\mathrm{d}y}~{}\left[\mathrm{nb}\right]$ Figure 2: Differential cross-sections for $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ mesons times dimuon branching fractions as functions of $p_{\rm T}$ (left) and $y$ (right). The inner error bars indicate the statistical uncertainty, while the outer error bars indicate the sum of statistical and systematic uncertainties in quadrature. The next-to-leading order non-relativistic QCD predictions [18] are shown by the solid yellow band. Table 2: Cross-sections for $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ mesons times dimuon branching fractions (in $\rm\,nb$) in bins of $p_{\rm T}$ and $y$ without normalisation to the bin sizes. The first uncertainty is statistical and the second is systematic. $\mbox{$p_{\rm T}$}~{}\left[\\!{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}\right]$ | $\Upsilon(1\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}$ | $\Upsilon(2\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}$ | $\Upsilon(3\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}$ ---|---|---|--- 0–2 | $0.257\pm 0.021\pm 0.011$ | $0.066\pm 0.012\pm 0.007$ | $0.023\pm 0.007\pm 0.002$ 2–3 | $0.167\pm 0.014\pm 0.007$ | $0.028\pm 0.007\pm 0.002$ | $0.024\pm 0.008\pm 0.002$ 3–4 | $0.154\pm 0.016\pm 0.009$ | $0.038\pm 0.008\pm 0.002$ | $0.023\pm 0.008\pm 0.001$ 4–6 | $0.277\pm 0.023\pm 0.013$ | $0.065\pm 0.011\pm 0.003$ | $0.038\pm 0.010\pm 0.002$ 6–10 | $0.212\pm 0.019\pm 0.008$ | $0.048\pm 0.010\pm 0.002$ | $0.033\pm 0.008\pm 0.001$ 10–15 | $0.043\pm 0.008\pm 0.003$ | $0.020\pm 0.007\pm 0.001$ | $0.018\pm 0.006\pm 0.002$ $y$ | $\Upsilon(1\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}$ | $\Upsilon(2\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}$ | $\Upsilon(3\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}$ 2.0–2.5 | $0.404\pm 0.034\pm 0.022$ | $0.101\pm 0.019\pm 0.005$ | $0.061\pm 0.016\pm 0.003$ 2.5–3.0 | $0.321\pm 0.018\pm 0.012$ | $0.086\pm 0.010\pm 0.004$ | $0.053\pm 0.008\pm 0.003$ 3.0–3.5 | $0.227\pm 0.013\pm 0.008$ | $0.050\pm 0.007\pm 0.002$ | $0.029\pm 0.005\pm 0.001$ 3.5–4.0 | $0.124\pm 0.011\pm 0.005$ | $0.025\pm 0.005\pm 0.001$ | $0.007\pm 0.003\pm 0.001$ 4.0–4.5 | $0.035\pm 0.008\pm 0.002$ | $0.001\pm 0.003\pm 0.001$ | $0.005\pm 0.004\pm 0.001$ Table 3: Ratios of the $\Upsilon(2\mathrm{S})$ to $\Upsilon(1\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ to $\Upsilon(1\mathrm{S})$ cross-sections times dimuon branching fractions as functions of $p_{\rm T}$ and $y$. The first uncertainty is statistical and the second is systematic. $\mbox{$p_{\rm T}$}~{}\left[\\!{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}\right]$ | $\mathcal{R}^{\mathrm{2}S/1S}$ | $\mathcal{R}^{\mathrm{3}S/1S}$ ---|---|--- 0–2 | $0.257\pm 0.053\pm 0.009$ | $0.090\pm 0.030\pm 0.006$ 2–3 | $0.165\pm 0.044\pm 0.007$ | $0.141\pm 0.050\pm 0.010$ 3–4 | $0.244\pm 0.056\pm 0.007$ | $0.148\pm 0.055\pm 0.006$ 4–6 | $0.233\pm 0.043\pm 0.007$ | $0.138\pm 0.037\pm 0.005$ 6–10 | $0.227\pm 0.051\pm 0.006$ | $0.157\pm 0.041\pm 0.004$ 10–15 | $0.474\pm 0.179\pm 0.031$ | $0.413\pm 0.155\pm 0.029$ $y$ | | 2.0–2.5 | $0.249\pm 0.051\pm 0.007$ | $0.152\pm 0.042\pm 0.006$ 2.5–3.0 | $0.266\pm 0.033\pm 0.007$ | $0.164\pm 0.026\pm 0.007$ 3.0–3.5 | $0.219\pm 0.032\pm 0.004$ | $0.129\pm 0.025\pm 0.003$ 3.5–4.0 | $0.204\pm 0.046\pm 0.004$ | $0.060\pm 0.026\pm 0.003$ Figure 3 illustrates the ratios of the $\Upsilon(2\mathrm{S})$ to $\Upsilon(1\mathrm{S})$, $\mathcal{R}^{\mathrm{2}S/1S}$, and $\Upsilon(3\mathrm{S})$ to $\Upsilon(1\mathrm{S})$, $\mathcal{R}^{\mathrm{3}S/1S}$, cross-sections times dimuon branching fractions as functions of $p_{\rm T}$ and $y$. Here, most of the systematic uncertainties on the cross-sections cancel, while the statistical uncertainties remain significant. The ratios are found to be in good agreement with the corresponding results obtained in the previous analyses on $\Upsilon$ production at $\sqrt{s}=7$ and $8\mathrm{\,Te\kern-1.00006ptV}$ [21, 22]. The measured $\mathcal{R}^{\mathrm{2}S/1S}$ and $\mathcal{R}^{\mathrm{3}S/1S}$ are also consistent with theoretical predictions presented in Refs. [53, 52, 54], where the $\Upsilon(3\mathrm{S})$ meson is considered as a mixture of normal $\mathrm{b}\overline{}\mathrm{b}$ and hybrid $\mathrm{b}\overline{}\mathrm{b}\mathrm{g}$ states. Table 3 lists $\mathcal{R}^{\mathrm{2}S/1S}$ and $\mathcal{R}^{\mathrm{3}S/1S}$ for each $p_{\rm T}$ and $y$ bin. LHCb$\Upsilon(2\mathrm{S})/\Upsilon(1\mathrm{S})$LHCb$\Upsilon(2\mathrm{S})/\Upsilon(1\mathrm{S})$LHCb$\Upsilon(3\mathrm{S})/\Upsilon(1\mathrm{S})$LHCb$\Upsilon(3\mathrm{S})/\Upsilon(1\mathrm{S})$$p_{\rm T}$$\left[\\!{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}\right]$$y$$p_{\rm T}$$\left[\\!{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}\right]$$y$ $\mathcal{R}^{\rm 2S/1S}$ $\mathcal{R}^{\rm 2S/1S}$ $\mathcal{R}^{\rm 3S/1S}$ $\mathcal{R}^{\rm 3S/1S}$ Figure 3: Ratios of the $\Upsilon(2\mathrm{S})$ to $\Upsilon(1\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ to $\Upsilon(1\mathrm{S})$ cross-sections times dimuon branching fractions as functions of $p_{\rm T}$ and $y$. The error bars indicate the total uncertainties of the results obtained by adding statistical and systematic uncertainties in quadrature. To provide a reference for a future LHCb measurement of $\Upsilon$ production with $\mathrm{p}\mathrm{Pb}$ collisions at $\sqrt{s_{NN}}=5$ TeV, the $\Upsilon$ cross-sections are measured in the reduced kinematic region $\mbox{$p_{\rm T}$}<15{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $2.5<y<4.0$. The corresponding integrated cross-sections times dimuon branching fractions in this kinematic region are $\displaystyle\upsigma\left(\mathrm{p}\mathrm{p}\rightarrow\Upsilon(1\mathrm{S})\mathrm{X}\right)\times{\cal B}\left(\Upsilon(1\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}\right)$ $\displaystyle=$ $\displaystyle 0.670\pm 0.025\pm 0.026\rm\,nb,$ $\displaystyle\upsigma\left(\mathrm{p}\mathrm{p}\rightarrow\Upsilon(2\mathrm{S})\mathrm{X}\right)\times{\cal B}\left(\Upsilon(2\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}\right)$ $\displaystyle=$ $\displaystyle 0.159\pm 0.013\pm 0.007\rm\,nb,$ $\displaystyle\upsigma\left(\mathrm{p}\mathrm{p}\rightarrow\Upsilon(3\mathrm{S})\mathrm{X}\right)\times{\cal B}\left(\Upsilon(3\mathrm{S})\\!\rightarrow\upmu^{+}\upmu^{-}\right)$ $\displaystyle=$ $\displaystyle 0.089\pm 0.010\pm 0.004\rm\,nb.$ ## 6 Conclusions The production of $\Upsilon(1\mathrm{S})$, $\Upsilon(2\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ mesons is observed for the first time in $\mathrm{p}\mathrm{p}$ collisions at a centre-of-mass energy of $\sqrt{s}=2.76\mathrm{\,Te\kern-1.00006ptV}$ at forward rapidities with a data sample corresponding to an integrated luminosity of 3.3$\mbox{\,pb}^{-1}$. The $\Upsilon$ differential production cross-sections times dimuon branching fractions are measured separately as functions of the $\Upsilon$ transverse momentum and rapidity for $\mbox{$p_{\rm T}$}<15{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $2.0<y<4.5$. The theoretical predictions, based on the next-to-leading order non-relativistic QCD calculation, provide a good description of the data at large $p_{\rm T}$. The ratios of the $\Upsilon(2\mathrm{S})$ to $\Upsilon(1\mathrm{S})$ and $\Upsilon(3\mathrm{S})$ to $\Upsilon(1\mathrm{S})$ cross-sections times dimuon branching fractions as functions of $p_{\rm T}$ and $y$ are found to be in agreement with the corresponding results obtained at higher collision energies. ## Acknowledgements We thank G. Bodwin, L. S. Kisslinger, A. K. Likhoded and A. V. Luchinsky for fruitful discussions about bottomonium production. In addition, we are grateful to K.-T. Chao, H. Han and H.-S. Shao for the next-to-leading order non-relativistic QCD predictions for prompt $\Upsilon$ production at $\sqrt{s}=2.76\mathrm{\,Te\kern-1.00006ptV}$. We also express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); MEN/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. 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arxiv-papers
2014-02-11T15:54:58
2024-09-04T02:49:58.077849
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, B. Adeva, M. Adinolfi, A. Affolder, Z.\n Ajaltouni, J. Albrecht, F. Alessio, M. Alexander, S. Ali, G. Alkhazov, P.\n Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio, Y. Amhis, L. Anderlini,\n J. Anderson, R. Andreassen, M. Andreotti, J.E. Andrews, R.B. Appleby, O.\n Aquines Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G.\n Auriemma, M. Baalouch, S. Bachmann, J.J. Back, A. Badalov, V. Balagura, W.\n Baldini, R.J. Barlow, C. Barschel, S. Barsuk, W. Barter, V. Batozskaya, Th.\n Bauer, A. Bay, J. Beddow, F. Bedeschi, I. Bediaga, S. Belogurov, K. Belous,\n I. Belyaev, E. Ben-Haim, G. Bencivenni, S. Benson, J. Benton, A. Berezhnoy,\n R. Bernet, M.-O. Bettler, M. van Beuzekom, A. Bien, S. Bifani, T. Bird, A.\n Bizzeti, P.M. Bj{\\o}rnstad, T. Blake, F. Blanc, J. Blouw, S. Blusk, V. Bocci,\n A. Bondar, N. Bondar, W. Bonivento, S. Borghi, A. Borgia, M. Borsato, T.J.V.\n Bowcock, E. Bowen, C. Bozzi, T. Brambach, J. van den Brand, J. Bressieux, D.\n Brett, M. Britsch, T. Britton, N.H. Brook, H. Brown, A. Bursche, G. Busetto,\n J. Buytaert, S. Cadeddu, R. Calabrese, O. Callot, M. Calvi, M. Calvo Gomez,\n A. Camboni, P. Campana, D. Campora Perez, A. Carbone, G. Carboni, R.\n Cardinale, A. Cardini, H. Carranza-Mejia, L. Carson, K. Carvalho Akiba, G.\n Casse, L. Castillo Garcia, M. Cattaneo, Ch. Cauet, R. Cenci, M. Charles, Ph.\n Charpentier, S.-F. Cheung, N. Chiapolini, M. Chrzaszcz, K. Ciba, X. Cid\n Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J. Closier, C.\n Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A. Comerma-Montells, A.\n Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, I. Counts, B. Couturier,\n G.A. Cowan, D.C. Craik, M. Cruz Torres, S. Cunliffe, R. Currie, C.\n D'Ambrosio, J. Dalseno, P. David, P.N.Y. David, A. Davis, I. De Bonis, K. De\n Bruyn, S. De Capua, M. De Cian, J.M. De Miranda, L. De Paula, W. De Silva, P.\n De Simone, D. Decamp, M. Deckenhoff, L. Del Buono, N. D\\'el\\'eage, D.\n Derkach, O. Deschamps, F. Dettori, A. Di Canto, H. Dijkstra, S. Donleavy, F.\n Dordei, M. Dorigo, P. Dorosz, A. Dosil Su\\'arez, D. Dossett, A. Dovbnya, F.\n Dupertuis, P. Durante, R. Dzhelyadin, A. Dziurda, A. Dzyuba, S. Easo, U.\n Egede, V. Egorychev, S. Eidelman, S. Eisenhardt, U. Eitschberger, R. Ekelhof,\n L. Eklund, I. El Rifai, Ch. Elsasser, S. Esen, A. Falabella, C. F\\\"arber, C.\n Farinelli, S. Farry, D. Ferguson, V. Fernandez Albor, F. Ferreira Rodrigues,\n M. Ferro-Luzzi, S. Filippov, M. Fiore, M. Fiorini, C. Fitzpatrick, M.\n Fontana, F. Fontanelli, R. Forty, O. Francisco, M. Frank, C. Frei, M.\n Frosini, J. Fu, E. Furfaro, A. Gallas Torreira, D. Galli, M. Gandelman, P.\n Gandini, Y. Gao, J. Garofoli, J. Garra Tico, L. Garrido, C. Gaspar, R. Gauld,\n E. Gersabeck, M. Gersabeck, T. Gershon, Ph. Ghez, A. Gianelle, S. Giani', V.\n Gibson, L. Giubega, V.V. Gligorov, C. G\\\"obel, D. Golubkov, A. Golutvin, A.\n Gomes, H. Gordon, M. Grabalosa G\\'andara, R. Graciani Diaz, L.A. Granado\n Cardoso, E. Graug\\'es, G. Graziani, A. Grecu, E. Greening, S. Gregson, P.\n Griffith, L. Grillo, O. Gr\\\"unberg, B. Gui, E. Gushchin, Yu. Guz, T. Gys, C.\n Hadjivasiliou, G. Haefeli, C. Haen, T.W. Hafkenscheid, S.C. Haines, S. Hall,\n B. Hamilton, T. Hampson, S. Hansmann-Menzemer, N. Harnew, S.T. Harnew, J.\n Harrison, T. Hartmann, J. He, T. Head, V. Heijne, K. Hennessy, P. Henrard, L.\n Henry, J.A. Hernando Morata, E. van Herwijnen, M. He\\ss, A. Hicheur, D. Hill,\n M. Hoballah, C. Hombach, W. Hulsbergen, P. Hunt, N. Hussain, D. Hutchcroft,\n D. Hynds, V. Iakovenko, M. Idzik, P. Ilten, R. Jacobsson, A. Jaeger, E. Jans,\n P. Jaton, A. Jawahery, F. Jing, M. John, D. Johnson, C.R. Jones, C. Joram, B.\n Jost, N. Jurik, M. Kaballo, S. Kandybei, W. Kanso, M. Karacson, T.M. Karbach,\n M. Kelsey, I.R. Kenyon, T. Ketel, B. Khanji, C. Khurewathanakul, S. Klaver,\n O. Kochebina, I. Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A.\n Kozlinskiy, L. Kravchuk, K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F.\n Kruse, M. Kucharczyk, V. Kudryavtsev, K. Kurek, T. Kvaratskheliya, V.N. La\n Thi, D. Lacarrere, G. Lafferty, A. Lai, D. Lambert, R.W. Lambert, E.\n Lanciotti, G. Lanfranchi, C. Langenbruch, T. Latham, C. Lazzeroni, R. Le Gac,\n J. van Leerdam, J.-P. Lees, R. Lef\\`evre, A. Leflat, J. Lefran\\c{c}ois, S.\n Leo, O. Leroy, T. Lesiak, B. Leverington, Y. Li, M. Liles, R. Lindner, C.\n Linn, F. Lionetto, B. Liu, G. Liu, S. Lohn, I. Longstaff, J.H. Lopes, N.\n Lopez-March, P. Lowdon, H. Lu, D. Lucchesi, J. Luisier, H. Luo, E. Luppi, O.\n Lupton, F. Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S. Malde, G.\n Manca, G. Mancinelli, M. Manzali, J. Maratas, U. Marconi, P. Marino, R.\n M\\\"arki, J. Marks, G. Martellotti, A. Martens, A. Mart\\'in S\\'anchez, M.\n Martinelli, D. Martinez Santos, F. Martinez Vidal, D. Martins Tostes, A.\n Massafferri, R. Matev, Z. Mathe, C. Matteuzzi, A. Mazurov, M. McCann, J.\n McCarthy, A. McNab, R. McNulty, B. McSkelly, B. Meadows, F. Meier, M.\n Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J. Molina Rodriguez, S.\n Monteil, D. Moran, M. Morandin, P. Morawski, A. Mord\\`a, M.J. Morello, R.\n Mountain, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B. Muster, P. Naik,\n T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N. Neri, S. Neubert, N.\n Neufeld, A.D. Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R.\n Niet, N. Nikitin, T. Nikodem, A. Novoselov, A. Oblakowska-Mucha, V.\n Obraztsov, S. Oggero, S. Ogilvy, O. Okhrimenko, R. Oldeman, G. Onderwater, M.\n Orlandea, J.M. Otalora Goicochea, P. Owen, A. Oyanguren, B.K. Pal, A. Palano,\n F. Palombo, M. Palutan, J. Panman, A. Papanestis, M. Pappagallo, L.\n Pappalardo, C. Parkes, C.J. Parkinson, G. Passaleva, G.D. Patel, M. Patel, C.\n Patrignani, C. Pavel-Nicorescu, A. Pazos Alvarez, A. Pearce, A. Pellegrino,\n G. Penso, M. Pepe Altarelli, S. Perazzini, E. Perez Trigo, P. Perret, M.\n Perrin-Terrin, L. Pescatore, E. Pesen, G. Pessina, K. Petridis, A. Petrolini,\n E. Picatoste Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, A. Pistone, S.\n Playfer, M. Plo Casasus, F. Polci, G. Polok, A. Poluektov, E. Polycarpo, A.\n Popov, D. Popov, B. Popovici, C. Potterat, A. Powell, J. Prisciandaro, A.\n Pritchard, C. Prouve, V. Pugatch, A. Puig Navarro, G. Punzi, W. Qian, B.\n Rachwal, J.H. Rademacker, B. Rakotomiaramanana, M. Rama, M.S. Rangel, I.\n Raniuk, N. Rauschmayr, G. Raven, S. Redford, S. Reichert, M.M. Reid, A.C. dos\n Reis, S. Ricciardi, A. Richards, K. Rinnert, V. Rives Molina, D.A. Roa\n Romero, P. Robbe, D.A. Roberts, A.B. Rodrigues, E. Rodrigues, P. Rodriguez\n Perez, S. Roiser, V. Romanovsky, A. Romero Vidal, M. Rotondo, J. Rouvinet, T.\n Ruf, F. Ruffini, H. Ruiz, P. Ruiz Valls, G. Sabatino, J.J. Saborido Silva, N.\n Sagidova, P. Sail, B. Saitta, V. Salustino Guimaraes, B. Sanmartin Sedes, R.\n Santacesaria, C. Santamarina Rios, E. Santovetti, M. Sapunov, A. Sarti, C.\n Satriano, A. Satta, M. Savrie, D. Savrina, M. Schiller, H. Schindler, M.\n Schlupp, M. Schmelling, B. Schmidt, O. Schneider, A. Schopper, M.-H. Schune,\n R. Schwemmer, B. Sciascia, A. Sciubba, M. Seco, A. Semennikov, K.\n Senderowska, I. Sepp, N. Serra, J. Serrano, P. Seyfert, M. Shapkin, I.\n Shapoval, Y. Shcheglov, T. Shears, L. Shekhtman, O. Shevchenko, V.\n Shevchenko, A. Shires, R. Silva Coutinho, G. Simi, M. Sirendi, N. Skidmore,\n T. Skwarnicki, N.A. Smith, E. Smith, E. Smith, J. Smith, M. Smith, H. Snoek,\n M.D. Sokoloff, F.J.P. Soler, F. Soomro, D. Souza, B. Souza De Paula, B.\n Spaan, A. Sparkes, F. Spinella, P. Spradlin, F. Stagni, S. Stahl, O.\n Steinkamp, S. Stevenson, S. Stoica, S. Stone, B. Storaci, S. Stracka, M.\n Straticiuc, U. Straumann, R. Stroili, V.K. Subbiah, L. Sun, W. Sutcliffe, S.\n Swientek, V. Syropoulos, M. Szczekowski, P. Szczypka, D. Szilard, T. Szumlak,\n S. T'Jampens, M. Teklishyn, G. Tellarini, E. Teodorescu, F. Teubert, C.\n Thomas, E. Thomas, J. van Tilburg, V. Tisserand, M. Tobin, S. Tolk, L.\n Tomassetti, D. Tonelli, S. Topp-Joergensen, N. Torr, E. Tournefier, S.\n Tourneur, M.T. Tran, M. Tresch, A. Tsaregorodtsev, P. Tsopelas, N. Tuning, M.\n Ubeda Garcia, A. Ukleja, A. Ustyuzhanin, U. Uwer, V. Vagnoni, G. Valenti, A.\n Vallier, R. Vazquez Gomez, P. Vazquez Regueiro, C. V\\'azquez Sierra, S.\n Vecchi, J.J. Velthuis, M. Veltri, G. Veneziano, M. Vesterinen, B. Viaud, D.\n Vieira, X. Vilasis-Cardona, A. Vollhardt, D. Volyanskyy, D. Voong, A.\n Vorobyev, V. Vorobyev, C. Vo\\ss, H. Voss, J.A. de Vries, R. Waldi, C.\n Wallace, R. Wallace, S. Wandernoth, J. Wang, D.R. Ward, N.K. Watson, A.D.\n Webber, D. Websdale, M. Whitehead, J. Wicht, J. Wiechczynski, D. Wiedner, L.\n Wiggers, G. Wilkinson, M.P. Williams, M. Williams, F.F. Wilson, J. Wimberley,\n J. Wishahi, W. Wislicki, M. Witek, G. Wormser, S.A. Wotton, S. Wright, S. Wu,\n K. Wyllie, Y. Xie, Z. Xing, Z. Yang, X. Yuan, O. Yushchenko, M. Zangoli, M.\n Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y. Zhang, A. Zhelezov, A.\n Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Dmytro Volyanskyy", "url": "https://arxiv.org/abs/1402.2539" }
1402.2554
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2014-018 LHCb-PAPER-2013-065 March 19, 2014 Measurements of the $B^{+}$, $B^{0}$, $B^{0}_{s}$ meson and $\mathchar 28931\relax^{0}_{b}$ baryon lifetimes The LHCb collaboration†††Authors are listed on the following pages. Measurements of $b$-hadron lifetimes are reported using $pp$ collision data, corresponding to an integrated luminosity of 1.0 fb-1, collected by the LHCb detector at a centre-of-mass energy of $7$$\mathrm{\,Te\kern-1.00006ptV}$. Using the exclusive decays $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$, $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*}(892)^{0}$, $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$, $\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ and $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ the average decay times in these modes are measured to be $\tau_{B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}}$ | = $1.637\ \pm$ 0.004 $\pm$ 0.003 ${\rm\,ps}$, ---|--- $\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}}$ | = $1.524\ \pm$ 0.006 $\pm$ 0.004 ${\rm\,ps}$, $\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}}$ | = $1.499\ \pm$ 0.013 $\pm$ 0.005 ${\rm\,ps}$, $\tau_{\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax}$ | = $1.415\ \pm$ 0.027 $\pm$ 0.006 ${\rm\,ps}$, $\tau_{B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi}$ | = $1.480\ \pm$ 0.011 $\pm$ 0.005 ${\rm\,ps}$, where the first uncertainty is statistical and the second is systematic. These represent the most precise lifetime measurements in these decay modes. In addition, ratios of these lifetimes, and the ratio of the decay-width difference, $\Delta\Gamma_{d}$, to the average width, $\Gamma_{d}$, in the $B^{0}$ system, $\Delta\Gamma_{d}/\Gamma_{d}=-0.044\pm 0.025\pm 0.011$, are reported. All quantities are found to be consistent with Standard Model expectations. Submitted to JHEP © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij40, B. Adeva36, M. Adinolfi45, A. Affolder51, Z. Ajaltouni5, J. Albrecht9, F. Alessio37, M. Alexander50, S. Ali40, G. Alkhazov29, P. Alvarez Cartelle36, A.A. Alves Jr24, S. Amato2, S. Amerio21, Y. Amhis7, L. Anderlini17,g, J. Anderson39, R. Andreassen56, M. Andreotti16,f, J.E. Andrews57, R.B. Appleby53, O. Aquines Gutierrez10, F. Archilli37, A. Artamonov34, M. Artuso58, E. Aslanides6, G. Auriemma24,n, M. Baalouch5, S. Bachmann11, J.J. Back47, A. Badalov35, V. Balagura30, W. Baldini16, R.J. Barlow53, C. Barschel38, S. Barsuk7, W. Barter46, V. Batozskaya27, Th. Bauer40, A. Bay38, J. Beddow50, F. Bedeschi22, I. Bediaga1, S. Belogurov30, K. Belous34, I. Belyaev30, E. Ben-Haim8, G. Bencivenni18, S. Benson49, J. Benton45, A. Berezhnoy31, R. Bernet39, M.-O. Bettler46, M. van Beuzekom40, A. Bien11, S. Bifani44, T. Bird53, A. Bizzeti17,i, P.M. Bjørnstad53, T. Blake47, F. Blanc38, J. Blouw10, S. Blusk58, V. Bocci24, A. Bondar33, N. Bondar29, W. Bonivento15,37, S. Borghi53, A. Borgia58, M. Borsato7, T.J.V. Bowcock51, E. Bowen39, C. Bozzi16, T. Brambach9, J. van den Brand41, J. Bressieux38, D. Brett53, M. Britsch10, T. Britton58, N.H. Brook45, H. Brown51, A. Bursche39, G. Busetto21,r, J. Buytaert37, S. Cadeddu15, R. Calabrese16,f, O. Callot7, M. Calvi20,k, M. Calvo Gomez35,p, A. Camboni35, P. Campana18,37, D. Campora Perez37, A. Carbone14,d, G. Carboni23,l, R. Cardinale19,j, A. Cardini15, H. Carranza-Mejia49, L. Carson49, K. Carvalho Akiba2, G. Casse51, L. Castillo Garcia37, M. Cattaneo37, Ch. Cauet9, R. Cenci57, M. Charles8, Ph. Charpentier37, S.-F. Cheung54, N. Chiapolini39, M. Chrzaszcz39,25, K. Ciba37, X. Cid Vidal37, G. Ciezarek52, P.E.L. Clarke49, M. Clemencic37, H.V. Cliff46, J. Closier37, C. Coca28, V. Coco37, J. Cogan6, E. Cogneras5, P. Collins37, A. Comerma-Montells35, A. Contu15,37, A. Cook45, M. Coombes45, S. Coquereau8, G. Corti37, I. Counts55, B. Couturier37, G.A. Cowan49, D.C. Craik47, M. Cruz Torres59, S. Cunliffe52, R. Currie49, C. D’Ambrosio37, J. Dalseno45, P. David8, P.N.Y. David40, A. Davis56, I. De Bonis4, K. De Bruyn40, S. De Capua53, M. De Cian11, J.M. De Miranda1, L. De Paula2, W. De Silva56, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, N. Déléage4, D. Derkach54, O. Deschamps5, F. Dettori41, A. Di Canto11, H. Dijkstra37, S. Donleavy51, F. Dordei11, M. Dorigo38, P. Dorosz25,o, A. Dosil Suárez36, D. Dossett47, A. Dovbnya42, F. Dupertuis38, P. Durante37, R. Dzhelyadin34, A. Dziurda25, A. Dzyuba29, S. Easo48, U. Egede52, V. Egorychev30, S. Eidelman33, S. Eisenhardt49, U. Eitschberger9, R. Ekelhof9, L. Eklund50,37, I. El Rifai5, Ch. Elsasser39, S. Esen11, A. Falabella16,f, C. Färber11, C. Farinelli40, S. Farry51, D. Ferguson49, V. Fernandez Albor36, F. Ferreira Rodrigues1, M. Ferro-Luzzi37, S. Filippov32, M. Fiore16,f, M. Fiorini16,f, C. Fitzpatrick37, M. Fontana10, F. Fontanelli19,j, R. Forty37, O. Francisco2, M. Frank37, C. Frei37, M. Frosini17,37,g, E. Furfaro23,l, A. Gallas Torreira36, D. Galli14,d, M. Gandelman2, P. Gandini58, Y. Gao3, J. Garofoli58, J. Garra Tico46, L. Garrido35, C. Gaspar37, R. Gauld54, E. Gersabeck11, M. Gersabeck53, T. Gershon47, Ph. Ghez4, A. Gianelle21, S. Giani’38, V. Gibson46, L. Giubega28, V.V. Gligorov37, C. Göbel59, D. Golubkov30, A. Golutvin52,30,37, A. Gomes1,a, H. Gordon37, M. Grabalosa Gándara5, R. Graciani Diaz35, L.A. Granado Cardoso37, E. Graugés35, G. Graziani17, A. Grecu28, E. Greening54, S. Gregson46, P. Griffith44, L. Grillo11, O. Grünberg60, B. Gui58, E. Gushchin32, Yu. Guz34,37, T. Gys37, C. Hadjivasiliou58, G. Haefeli38, C. Haen37, T.W. Hafkenscheid62, S.C. Haines46, S. Hall52, B. Hamilton57, T. Hampson45, S. Hansmann-Menzemer11, N. Harnew54, S.T. Harnew45, J. Harrison53, T. Hartmann60, J. He37, T. Head37, V. Heijne40, K. Hennessy51, P. Henrard5, J.A. Hernando Morata36, E. van Herwijnen37, M. Heß60, A. Hicheur1, D. Hill54, M. Hoballah5, C. Hombach53, W. Hulsbergen40, P. Hunt54, N. Hussain54, D. Hutchcroft51, D. Hynds50, V. Iakovenko43, M. Idzik26, P. Ilten55, R. Jacobsson37, A. Jaeger11, E. Jans40, P. Jaton38, A. Jawahery57, F. Jing3, M. John54, D. Johnson54, C.R. Jones46, C. Joram37, B. Jost37, N. Jurik58, M. Kaballo9, S. Kandybei42, W. Kanso6, M. Karacson37, T.M. Karbach37, I.R. Kenyon44, T. Ketel41, B. Khanji20, C. Khurewathanakul38, S. Klaver53, O. Kochebina7, I. Komarov38, R.F. Koopman41, P. Koppenburg40, M. Korolev31, A. Kozlinskiy40, L. Kravchuk32, K. Kreplin11, M. Kreps47, G. Krocker11, P. Krokovny33, F. Kruse9, M. Kucharczyk20,25,37,k, V. Kudryavtsev33, K. Kurek27, T. Kvaratskheliya30,37, V.N. La Thi38, D. Lacarrere37, G. Lafferty53, A. Lai15, D. Lambert49, R.W. Lambert41, E. Lanciotti37, G. Lanfranchi18, C. Langenbruch37, T. Latham47, C. Lazzeroni44, R. Le Gac6, J. van Leerdam40, J.-P. Lees4, R. Lefèvre5, A. Leflat31, J. Lefrançois7, S. Leo22, O. Leroy6, T. Lesiak25, B. Leverington11, Y. Li3, M. Liles51, R. Lindner37, C. Linn11, F. Lionetto39, B. Liu15, G. Liu37, S. Lohn37, I. Longstaff50, J.H. Lopes2, N. Lopez-March38, P. Lowdon39, H. Lu3, D. Lucchesi21,r, J. Luisier38, H. Luo49, E. Luppi16,f, O. Lupton54, F. Machefert7, I.V. Machikhiliyan30, F. Maciuc28, O. Maev29,37, S. Malde54, G. Manca15,e, G. Mancinelli6, M. Manzali16,f, J. Maratas5, U. Marconi14, P. Marino22,t, R. Märki38, J. Marks11, G. Martellotti24, A. Martens8, A. Martín Sánchez7, M. Martinelli40, D. Martinez Santos41, D. Martins Tostes2, A. Massafferri1, R. Matev37, Z. Mathe37, C. Matteuzzi20, A. Mazurov16,37,f, M. McCann52, J. McCarthy44, A. McNab53, R. McNulty12, B. McSkelly51, B. Meadows56,54, F. Meier9, M. Meissner11, M. Merk40, D.A. Milanes8, M.-N. Minard4, J. Molina Rodriguez59, S. Monteil5, D. Moran53, M. Morandin21, P. Morawski25, A. Mordà6, M.J. Morello22,t, R. Mountain58, F. Muheim49, K. Müller39, R. Muresan28, B. Muryn26, B. Muster38, P. Naik45, T. Nakada38, R. Nandakumar48, I. Nasteva1, M. Needham49, S. Neubert37, N. Neufeld37, A.D. Nguyen38, T.D. Nguyen38, C. Nguyen-Mau38,q, M. Nicol7, V. Niess5, R. Niet9, N. Nikitin31, T. Nikodem11, A. Novoselov34, A. Oblakowska-Mucha26, V. Obraztsov34, S. Oggero40, S. Ogilvy50, O. Okhrimenko43, R. Oldeman15,e, G. Onderwater62, M. Orlandea28, J.M. Otalora Goicochea2, P. Owen52, A. Oyanguren35, B.K. Pal58, A. Palano13,c, M. Palutan18, J. Panman37, A. Papanestis48,37, M. Pappagallo50, L. Pappalardo16, C. Parkes53, C.J. Parkinson9, G. Passaleva17, G.D. Patel51, M. Patel52, C. Patrignani19,j, C. Pavel-Nicorescu28, A. Pazos Alvarez36, A. Pearce53, A. 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Zvyagin37. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Padova, Padova, Italy 22Sezione INFN di Pisa, Pisa, Italy 23Sezione INFN di Roma Tor Vergata, Roma, Italy 24Sezione INFN di Roma La Sapienza, Roma, Italy 25Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 26AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 27National Center for Nuclear Research (NCBJ), Warsaw, Poland 28Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 29Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 30Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 31Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 32Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 33Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 34Institute for High Energy Physics (IHEP), Protvino, Russia 35Universitat de Barcelona, Barcelona, Spain 36Universidad de Santiago de Compostela, Santiago de Compostela, Spain 37European Organization for Nuclear Research (CERN), Geneva, Switzerland 38Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 39Physik-Institut, Universität Zürich, Zürich, Switzerland 40Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 41Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 42NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 43Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 44University of Birmingham, Birmingham, United Kingdom 45H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 46Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 47Department of Physics, University of Warwick, Coventry, United Kingdom 48STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 49School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 50School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 51Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 52Imperial College London, London, United Kingdom 53School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 54Department of Physics, University of Oxford, Oxford, United Kingdom 55Massachusetts Institute of Technology, Cambridge, MA, United States 56University of Cincinnati, Cincinnati, OH, United States 57University of Maryland, College Park, MD, United States 58Syracuse University, Syracuse, NY, United States 59Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 60Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 61National Research Centre Kurchatov Institute, Moscow, Russia, associated to 30 62KVI - University of Groningen, Groningen, The Netherlands, associated to 40 63Celal Bayar University, Manisa, Turkey, associated to 37 aUniversidade Federal do Triângulo Mineiro (UFTM), Uberaba-MG, Brazil bP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia cUniversità di Bari, Bari, Italy dUniversità di Bologna, Bologna, Italy eUniversità di Cagliari, Cagliari, Italy fUniversità di Ferrara, Ferrara, Italy gUniversità di Firenze, Firenze, Italy hUniversità di Urbino, Urbino, Italy iUniversità di Modena e Reggio Emilia, Modena, Italy jUniversità di Genova, Genova, Italy kUniversità di Milano Bicocca, Milano, Italy lUniversità di Roma Tor Vergata, Roma, Italy mUniversità di Roma La Sapienza, Roma, Italy nUniversità della Basilicata, Potenza, Italy oAGH - University of Science and Technology, Faculty of Computer Science, Electronics and Telecommunications, Kraków, Poland pLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain qHanoi University of Science, Hanoi, Viet Nam rUniversità di Padova, Padova, Italy sUniversità di Pisa, Pisa, Italy tScuola Normale Superiore, Pisa, Italy ## 1 Introduction Within the framework of heavy quark expansion (HQE) theory [1, 2, 3, 4, 5, 6, 7], $b$-hadron observables are calculated as a perturbative expansion in inverse powers of the $b$-quark mass, $m_{b}$. At zeroth order the lifetimes of all weakly decaying $b$ hadrons are equal, with corrections appearing at order $1/m_{b}^{2}$. Ratios of $b$-hadron lifetimes can be theoretically predicted with higher accuracy than absolute lifetimes since many terms in the HQE cancel. The latest theoretical predictions and world-average values for the $b$-hadron lifetimes and lifetime ratios are reported in Table 1. A measurement of the ratio of the $\mathchar 28931\relax^{0}_{b}$ baryon lifetime, using the $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ decay mode111Charge conjugation is implied throughout this paper, unless otherwise stated., to that of the $B^{0}$ meson lifetime has recently been made by the LHCb collaboration [8] and is not yet included in the world average. In this paper, a measurement of the lifetimes of the $B^{+}$, $B^{0}$ and $B^{0}_{s}$ mesons and $\mathchar 28931\relax^{0}_{b}$ baryon is reported using $pp$ collision data, corresponding to an integrated luminosity of 1.0 fb-1, collected in 2011 with the LHCb detector at a centre-of-mass energy of $7$$\mathrm{\,Te\kern-1.00006ptV}$. The lifetimes are measured from the reconstructed $b$-hadron decay time distributions of the exclusive decay modes $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$, $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*}(892)^{0}$, $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$, $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ and $\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$. Collectively, these are referred to as $H_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X$ decays. In addition, measurements of lifetime ratios are reported. As a result of neutral meson mixing the decay time distribution of neutral $B^{0}_{q}$ mesons ($q\in\\{s,d\\}$) is characterised by two parameters, namely the average decay width $\Gamma_{q}$ and the decay width difference $\Delta\Gamma_{q}$ between the light (L) and heavy (H) $B^{0}_{q}$ mass eigenstates. The summed decay rate of $B^{0}_{q}$ and $\overline{B}^{0}_{q}$ mesons to a final state $f$ is given by [9, 10, 11] $\langle\Gamma(B^{0}_{q}(t)\rightarrow f)\rangle\equiv\Gamma(B^{0}_{q}(t)\rightarrow f)+\Gamma(\overline{B}^{0}_{q}(t)\rightarrow f)=R^{f}_{q,\rm L}e^{-\Gamma_{q,\rm L}t}+R^{f}_{q,\rm H}e^{-\Gamma_{q,\rm H}t},$ (1) where terms proportional to the small flavour specific asymmetry, $a_{\rm fs}^{q}$, are ignored [12]. Therefore, for non-zero $\Delta\Gamma_{q}$ the decay time distribution of neutral $B^{0}_{q}$ decays is not purely exponential. In the case of an equal admixture of $B^{0}_{q}$ and $\overline{B}^{0}_{q}$ at $t=0$, the observed average decay time is given by [11] $\tau_{B_{q}^{0}\rightarrow f}=\frac{1}{\Gamma_{q}}\frac{1}{1-y_{q}^{2}}\left(\frac{1+2\mathcal{A}^{f}_{\Delta\Gamma_{q}}y_{q}+y_{q}^{2}}{1+\mathcal{A}^{f}_{\Delta\Gamma_{q}}y_{q}}\right),$ (2) where $y_{q}\equiv\Delta\Gamma_{q}/(2\Gamma_{q})$ and $\mathcal{A}^{f}_{\Delta\Gamma_{q}}\equiv(R_{q,\rm H}^{f}-R_{q,\rm L}^{f})/(R_{q,\rm H}^{f}+R_{q,\rm L}^{f})$ is an observable that depends on the final state, $f$. As such, the lifetimes measured are usually referred to as effective lifetimes. In the $B^{0}_{s}$ system, where $\Delta\Gamma_{s}/\Gamma_{s}=0.159\pm 0.023$ [13], the deviation from an exponential decay time distribution is non-negligible. In contrast, in the $B^{0}$ system this effect is expected to be small as $\Delta\Gamma_{d}/\Gamma_{d}$ is predicted to be $(42\pm 8)\times 10^{-4}$ in the Standard Model (SM) [14, 15]. Both the BaBar [16, 17] and Belle [18] collaborations have measured $|\Delta\Gamma_{d}/\Gamma_{d}|$ and the current world average is $|\Delta\Gamma_{d}/\Gamma_{d}|=0.015\pm 0.018$ [13]. A deviation in the value of $\Delta\Gamma_{d}$ from the SM prediction has recently been proposed [19] as a potential explanation for the anomalous like- sign dimuon charge asymmetry measured by the D0 collaboration [20]. In this paper, $\Delta\Gamma_{d}/\Gamma_{d}$ is measured from the effective lifetimes of $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*}(892)^{0}$ and $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ decays, as proposed in Ref. [21]. The main challenge in the measurements reported is understanding and controlling the detector acceptance, reconstruction and selection efficiencies that depend upon the $b$-hadron decay time. This paper is organised as follows. Section 2 describes the LHCb detector and software. The selection criteria for the $b$-hadron candidates are described in Sec. 3. Section 4 describes the reconstruction efficiencies and the techniques used to correct the decay time distributions. Section 5 describes how the efficiency corrections are incorporated into the maximum likelihood fit that is used to measure the signal yields and lifetimes. The systematic uncertainties on the measurements are described in Sec. 6. The final results and conclusions are presented in Sec. 7. Table 1: Theoretical predictions and current world-average values [13] for $b$-hadron lifetimes and lifetime ratios. Observable Prediction World average $\tau_{B^{+}}$[${\rm\,ps}$ ] – $1.641\pm 0.008$ $\tau_{B^{0}}$[${\rm\,ps}$ ] – $1.519\pm 0.007$ $\tau_{B^{0}_{s}}$[${\rm\,ps}$ ] – $1.516\pm 0.011$ $\tau_{\mathchar 28931\relax^{0}_{b}}$[${\rm\,ps}$ ] – $1.429\pm 0.024$ $\tau_{B^{+}}/\tau_{B^{0}}$ $1.063\pm 0.027$ [22, 23, 15] $1.079\pm 0.007$ $\tau_{B^{0}_{s}}/\tau_{B^{0}}$ $1.00\phantom{0}\pm 0.01\phantom{0}$ [24, 25, 23, 15] $0.998\pm 0.009$ $\tau_{\mathchar 28931\relax^{0}_{b}}/\tau_{B^{0}}$ 0.86–0.950 [3, 26, 27, 28, 29, 30, 23, 31, 32] $0.941\pm 0.016$ ## 2 Detector and software The LHCb detector [33] is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. The detector includes a high-precision tracking system consisting of a silicon-strip vertex detector (VELO) surrounding the $pp$ interaction region, a large-area silicon-strip detector (TT) located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes placed downstream. The combined tracking system provides a momentum, $p$, measurement with relative uncertainty that varies from 0.4% at 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6% at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and impact parameter resolution of 20$\,\upmu\rm m$ for charged particles with high transverse momentum, $p_{\rm T}$. Charged hadrons are identified using two ring-imaging Cherenkov detectors [34]. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and preshower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers [35]. The right-handed coordinate system adopted has the $z$-axis along the beam line and the $y$-axis along the vertical. The trigger [36] consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage, which applies a full event reconstruction. Two distinct classes of tracks are reconstructed using hits in the tracking stations on both sides of the magnet, either with hits in the VELO (long track) or without (downstream track). The vertex resolution of $b$-hadron candidates reconstructed using long tracks is better than that for candidates reconstructed using downstream tracks. However, the use of long tracks introduces a dependence of the reconstruction efficiency on the $b$-hadron decay time. In the simulation, $pp$ collisions are generated using Pythia 6.4 [37] with a specific LHCb configuration [38]. Decays of hadronic particles are described by EvtGen [39], in which final state radiation is generated using Photos [40]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [41, *Agostinelli:2002hh] as described in Ref. [43]. ## 3 Candidate selection The reconstruction of each of the $H_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X$ decays is similar and commences by selecting ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\rightarrow\mu^{+}\mu^{-}$ decays. Events passing the hardware trigger contain dimuon candidates with high transverse momentum. The subsequent software trigger is composed of two stages. The first stage performs a partial event reconstruction and requires events to have two well-identified oppositely charged muons with an invariant mass larger than $2.7{\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$. The selection at this stage has a uniform efficiency as a function of decay time. The second stage performs a full event reconstruction, calculating the position of each $pp$ interaction vertex (PV) using all available charged particles in the event. The average number of PVs in each event is approximately $2.0$. Their longitudinal ($z$) position is known to a precision of approximately $0.05\rm\,mm$. If multiple PVs are reconstructed in the event, the one with the minimum value of $\chi^{2}_{\rm IP}$ is associated with the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ candidate, where $\chi^{2}_{\rm IP}$ is the increase in the $\chi^{2}$ of the PV fit if the candidate trajectory is included. Events are retained for further processing if they contain a ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\rightarrow\mu^{+}\mu^{-}$ pair that forms a vertex that is significantly displaced from the PV. This introduces a non-uniform efficiency as function of decay time. The offline sample of ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ meson candidates is selected by requiring each muon to have $p_{\rm T}$ larger than 500${\mathrm{\,Me\kern-1.00006ptV\\!/}c}$ and the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ candidate to be displaced from the PV by more than three times its decay length uncertainty. The invariant mass of the two muons, $m(\mu^{+}\mu^{-})$, must be in the range $[3030,3150]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The $b$-hadron candidate selection is performed by applying kinematic and particle identification criteria to the final-state tracks, the details of which are reported in Sec. 3.1 to 3.5. No requirements are placed on variables that are highly correlated to the $b$-hadron decay time, thereby avoiding the introduction of additional biases. All final-state particles are required to have a pseudorapidity in the range $2.0<\eta<4.5$. In addition, the $z$-position of the PV ($z_{\rm PV}$) is required to be within $100\rm\,mm$ of the nominal interaction point, where the standard deviation of the $z_{\rm PV}$ distribution is approximately $47\rm\,mm$. These criteria cause a reduction of approximately $10\%$ in signal yield but define a fiducial region where the reconstruction efficiency is largely uniform. The maximum likelihood fit uses the invariant mass, $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X)$, and proper decay time, $t$, of each $b$-hadron candidate. The decay time of the $b$-hadron candidate in its rest frame is derived from the relation $t=m\,l/q$, where $m$ is its invariant mass and the decay length, $l$, and the momentum, $q$, are measured in the experimental frame. In this paper, $t$ is computed using a kinematic decay-tree fit (DTF) [44] involving all final-state tracks from the $b$-hadron candidate with a constraint on the position of the associated PV. Unlike in the trigger, the position of each PV is calculated using all available charged particles in the event after the removal of the $b$-hadron candidate final- state tracks. This is necessary to prevent the final-state tracks from biasing the PV position towards the $b$-hadron decay vertex and helps to reduce the tails of the decay-time resolution function. This prescription does not bias the measured lifetime using simulated events. The $\chi^{2}$ of the fit, $\chi^{2}_{\rm DTF}$, is useful to discriminate between signal and background. In cases where there are multiple $b$-hadron candidates per event, the candidate with the smallest $\chi^{2}_{\rm DTF}$ is chosen. The $z$-position of the displaced $b$-hadron vertices are known to a precision of approximately $0.15\rm\,mm$. Studies of simulated events show that in the case of $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ ($B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$) decays, imposing requirements on $\chi^{2}_{\rm DTF}$ introduces a dependence of the selection efficiency on the decay time if the $K^{+}$ and $\pi^{-}$ ($K^{+}$ and $K^{-}$) tracks are included in the DTF. If no correction is applied to the decay time distribution, the measured lifetime would be biased by approximately $-2\rm\,fs$ relative to the generated value. Using simulated events it is found that this effect is correlated to the opening angle between the $K^{+}$ and $\pi^{-}$ ($K^{+}$ and $K^{-}$) from the $K^{*0}$ ($\phi$) decay. No effect is observed for the muons coming from the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ decay due to the larger opening angle in this case. To remove the effect, the calculation of $\chi^{2}_{\rm DTF}$ for the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ and $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ channels is performed with an alternative DTF in which the assigned track parameter uncertainties of the kaon and pion are increased in such a way that their contribution to the $b$-hadron vertex position is negligible. Candidates are required to have $t$ in the range $[0.3,14.0]{\rm\,ps}$. The lower bound on the decay time suppresses a large fraction of the prompt combinatorial background that is composed of tracks from the same PV, while the upper bound is introduced to reduce the sensitivity to long-lived background candidates. In the case of the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ and $\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ decays, the lower bound is increased to 0.45${\rm\,ps}$ to compensate for the worse decay time resolution in these modes. In events with multiple PVs, $b$-hadron candidates are removed if they have a $\chi^{2}_{\rm IP}$ with respect to the next best PV smaller than $50$. This requirement is found to distort the decay time distribution, but reduces a source of background due to the incorrect association of the $b$ hadron to its production PV. The invariant mass is computed using another kinematic fit without any constraint on the PV position but with the invariant mass of the $\mu^{+}\mu^{-}$ pair, $m(\mu^{+}\mu^{-})$, constrained to the known ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mass [45]. Figures 1 and 2 show the $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X)$ distributions for the selected candidates in each final state and Table 2 gives the corresponding signal yields. \begin{overpic}[scale={0.75}]{figs/BuJpsiKFlat_Data_1bin_IPzWeight_TS1_TS1_S1_20bins_cFit.pdf} \put(11.0,31.0){\scriptsize$B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ } \put(81.0,31.0){\scriptsize$B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ } \end{overpic}\begin{overpic}[scale={0.75}]{figs/BdJpsiKstarFlat_Data_1bin_IPzWeight_TS1_TS1_S1_20bins_cFit.pdf} \put(11.0,31.0){\scriptsize$B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ } \put(81.0,31.0){\scriptsize$B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ } \end{overpic}\begin{overpic}[scale={0.75}]{figs/Bd2JpsiKSFlat_Data_1bin_IPzWeight_TS1_TS1_S1_20bins_cFit.pdf} \put(11.0,31.0){\scriptsize$B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ } \put(81.0,31.0){\scriptsize$B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ } \end{overpic} Figure 1: Distributions of the (left) mass and (right) decay time of $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$, $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ and $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ candidates and their associated residual uncertainties (pulls). The data are shown by the black points; the total fit function by the black solid line; the signal contribution by the red dashed line and the background contribution by the blue dotted line. \begin{overpic}[scale={0.75}]{figs/BsJpsiPhiFlat_Data_1bin_IPzWeight_TS1_TS1_S1_20bins_cFit.pdf} \put(11.0,31.0){\scriptsize$B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ } \put(81.0,31.0){\scriptsize$B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ } \end{overpic}\begin{overpic}[scale={0.75}]{figs/Lambdab0Flat_Data_1bin_IPzWeight_TS1_TS1_S1_20bins_cFit.pdf} \put(11.0,31.0){\scriptsize$\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$} \put(81.0,31.0){\scriptsize$\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$} \end{overpic} Figure 2: Distributions of the (left) mass and (right) decay time of $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ and $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ candidates and their associated residual uncertainties (pulls). The data are shown by the black points; the total fit function by the black solid line; the signal contribution by the red dashed line and the background contribution by the blue dotted line. Table 2: Estimated event yields for the five $b\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X$ channels selected using the criteria described in Sec. 3.1 to 3.5. Channel | Yield ---|--- $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ | $229\,434\pm 503$ $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ | $70\,534\pm 312$ $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ | $17\,045\pm 175$ $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ | $18\,662\pm 152$ $\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ | $3\,960\pm\ \,89$ ### 3.1 Selection of $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ decays The $B^{+}$ candidates are reconstructed by combining the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ candidates with a charged particle that is identified as a kaon with $p_{\rm T}$ larger than $1{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $p$ larger than $10{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. The invariant mass, $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+})$, must be in the range $[5170,5400]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, where the lower bound is chosen to remove feed-down from incompletely reconstructed $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ decays. The $\chi^{2}_{\rm DTF}$ of the fit, which has 5 degrees of freedom, is required to be less than 25. Multiple $B^{+}$ candidates are found in less than $0.02\%$ of selected events. ### 3.2 Selection of $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ decays The $K^{*0}$ candidates are reconstructed by combining two oppositely charged particles that are identified as a kaon and a pion. The pion and $K^{*0}$ must have $p_{\rm T}$ greater than $0.3{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $1.5{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, respectively. The invariant mass, $m(K^{+}\pi^{-})$, must be in the range $[826,966]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The $B^{0}$ candidates are reconstructed by combining the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $K^{*0}$ candidates. The invariant mass, $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}\pi^{-})$, must be in the range $[5150,5340]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, where the upper bound is chosen to remove the contribution from $B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\overline{K}^{*0}$ decays. The $\chi^{2}_{\rm DTF}$ of the fit, which has 3 degrees of freedom, is required to be less than 15. Multiple $B^{0}$ candidates are found in $2.2\%$ of selected events. ### 3.3 Selection of $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ decays The $K^{0}_{\rm\scriptscriptstyle S}$ candidates are formed from the combination of two oppositely charged particles that are identified as pions and reconstructed as downstream tracks. This is necessary since studies of simulated signal decays demonstrate that an inefficiency depending on the $b$-hadron decay time is introduced by the reconstruction of the long-lived $K^{0}_{\rm\scriptscriptstyle S}$ and $\mathchar 28931\relax$ particles using long tracks. Even so, it is found that the acceptance of the TT still depends on the origin of the tracks. This effect is removed by further tightening of the requirement on the position of the PV to $z_{\rm PV}>-50\rm\,mm$. For particles produced close to the interaction region, this effect is suppressed by the requirements on the fiducial region for the PV, which is further tightened by requiring that , to account for the additional acceptance introduced by the TT. The downstream pions are required to have $p_{\rm T}$ greater than $0.1{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $p$ greater than $2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. The $K^{0}_{\rm\scriptscriptstyle S}$ candidate must have $p_{\rm T}$ greater than $1{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and be well separated from the $B^{0}$ decay vertex, to suppress potential background from $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ decays where the kaon has been misidentified as a pion. The $\chi^{2}$ of the $K^{0}_{\rm\scriptscriptstyle S}$ vertex fit must be less than 25 and the invariant mass of the dipion system, $m(\pi^{+}\pi^{-})$, must be within $15{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the known $K^{0}_{\rm\scriptscriptstyle S}$ mass [45]. For subsequent stages of the selection, $m(\pi^{+}\pi^{-})$ is constrained to the known $K^{0}_{\rm\scriptscriptstyle S}$ mass. The invariant mass, $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S})$, of the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $K^{0}_{\rm\scriptscriptstyle S}$ candidate combination must be in the range $[5150,5340]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, where the upper bound is chosen to remove the contribution from $B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ decays. The $\chi^{2}_{\rm DTF}$ of the fit, which has 6 degrees of freedom, is required to be less than 30. Multiple $B^{0}$ candidates are found in less than $0.4\%$ of selected events. ### 3.4 Selection of $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ decays The $\phi$ candidates are formed from two oppositely charged particles that have been identified as kaons and originate from a common vertex. The $K^{+}K^{-}$ pair is required to have $p_{\rm T}$ larger than $1{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. The invariant mass of the $K^{+}K^{-}$ pair, $m(K^{+}K^{-})$, must be in the range $[990,1050]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The $B^{0}_{s}$ candidates are reconstructed by combining the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ candidate with the $K^{+}K^{-}$ pair, requiring the invariant mass, $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-})$, to be in the range $[5200,5550]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The $\chi^{2}_{\rm DTF}$ of the fit, which has 3 degrees of freedom, is required to be less than 15. Multiple $B^{0}_{s}$ candidates are found in less than $2.0\%$ of selected events. ### 3.5 Selection of $\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ decays The selection of $\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ candidates follows a similar approach to that adopted for $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ decays. Only downstream protons and pions are used to reconstruct the $\mathchar 28931\relax$ candidates. The pions are required to have $p_{\rm T}$ larger than $0.1{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, while pions and protons must have $p$ larger than $2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. The $\mathchar 28931\relax$ candidate must be well separated from the $\mathchar 28931\relax^{0}_{b}$ decay vertex and have $p_{\rm T}$ larger than $1{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. The $\chi^{2}$ of the $\mathchar 28931\relax$ vertex fit must be less than 25 and $m(p\pi^{-})$ must be within $6{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the known $\mathchar 28931\relax$ mass [45]. For subsequent stages of the selection, $m(p\pi^{-})$ is constrained to the known $\mathchar 28931\relax$ mass. The invariant mass, $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax)$, of the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $\mathchar 28931\relax$ candidate combination must be in the range $[5470,5770]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The $\chi^{2}_{\rm DTF}$ of the fit, which has 6 degrees of freedom, is required to be less than 30. Multiple $\mathchar 28931\relax^{0}_{b}$ candidates are found in less than $0.5\%$ of selected events. ## 4 Dependence of efficiencies on decay time Section 3 described the reconstruction and selection criteria of the $H_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X$ decays and various techniques that have been used to minimise the dependence of selection efficiencies upon the decay time. After these steps, there remain two effects that distort the $b$-hadron decay time distribution. These are caused by the VELO-track reconstruction efficiency, $\varepsilon_{\rm VELO}$, and the combination of the trigger efficiency, $\varepsilon_{\rm trigger}$, and offline selection efficiency, $\varepsilon_{\rm selection|trigger}$. This section will describe these effects and the techniques that are used to evaluate the efficiencies from data control samples. ### 4.1 VELO-track reconstruction efficiency The largest variation of the efficiency with the decay time is introduced by the track reconstruction in the VELO. The track finding procedure in the VELO assumes that tracks originate approximately from the interaction region [33, 46]. In the case of long-lived $b$-hadron candidates this assumption is not well justified, leading to a loss of reconstruction efficiency for charged particle tracks from the $b$-hadron decay. \begin{overpic}[scale={0.39}]{figs/data_online.pdf} \put(79.0,59.7){(a)} \end{overpic}\begin{overpic}[scale={0.39}]{figs/data_offline.pdf} \put(79.0,59.7){(b)} \end{overpic} Figure 3: VELO-track reconstruction efficiency for kaon tracks reconstructed using the (a) online and (b) offline algorithms as a function of the kaon $\rho$, as defined in Eq. (3). The red solid lines show the result of an unbinned maximum likelihood fit using the parameterisation in Eq. (4) to the background subtracted data (black points). The distance of closest approach of the track to the $z$-axis is defined as $\rho$ $\displaystyle\equiv$ $\displaystyle\frac{\left|(\boldsymbol{d}-\boldsymbol{v})\cdot(\boldsymbol{p}\times\boldsymbol{\hat{z}})\right|}{\left|\boldsymbol{p}\times{\boldsymbol{\hat{z}}}\right|},$ (3) where $\boldsymbol{p}$ is the momentum of the final-state track from a $b$-hadron candidate decaying at point $\boldsymbol{d}$, $\boldsymbol{\hat{z}}$ is a unit vector along the $z$-axis and $\boldsymbol{v}$ is the origin of the VELO coordinate system. During data taking the position of the LHCb VELO is monitored as a function of time and is centred around the LHC beam line. Using a control sample of $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ candidates where the $K^{+}$ is reconstructed as a downstream track, the VELO- track reconstruction efficiency, $\varepsilon_{\rm VELO}(\mbox{$\rho$})$, is computed as the fraction of these tracks that are also reconstructed as long tracks. From samples of simulated $b$-hadron decays, it is observed that $\varepsilon_{\rm VELO}(\mbox{$\rho$})$ can be empirically parameterised by $\varepsilon_{\rm VELO}(\mbox{$\rho$})=a(1+c\mbox{$\rho$}^{2}),$ (4) where the parameters $a$ and $c$ are determined from a fit to the unbinned efficiency distribution. Table 3: VELO reconstruction efficiency in data for kaon tracks reconstructed with the online and offline algorithms. In both cases, the correlation coefficient between $a$ and $c$ is 0.2. | $a$ | $c$ [$\rm\,mm^{-2}$] ---|---|--- Online | $0.9759\pm 0.0005$ | $-0.0093\pm 0.0007$ Offline | $0.9831\pm 0.0004$ | $-0.0041\pm 0.0005$ Figure 3 shows the VELO-track reconstruction efficiency obtained using this method and Table 3 shows the corresponding fit results. Since different configurations of the VELO reconstruction algorithms are used within the LHCb software trigger (online) and during the subsequent processing (offline), it is necessary to evaluate two different efficiencies. The stronger dependence of the online efficiency as a function of $\rho$ is due to the additional requirements used in the first stage of the software trigger such that it satisfies the required processing time. Applying the same technique to a simulated sample of $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ decays yields qualitatively similar behaviour for $\varepsilon_{\rm VELO}(\mbox{$\rho$})$. Studies on simulated data show that the efficiency for kaons and pions from the decay of $\phi$ and $K^{*0}$ mesons is smaller than for the kaon in $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ decays, due to the small opening between the particles in the $\phi$ and $K^{*0}$ decays, as discussed in Sec. 3. In addition, there are kinematic differences between the calibration $B^{+}$ sample and the signal samples. Scaling factors on the efficiency parameters are derived from simulation to account for these effects, and have typical sizes in the range $[1.04,1.65]$, depending on the decay mode and final-state particle being considered. The distortion to the $b$-hadron candidate decay time distribution caused by the VELO-track reconstruction is corrected for by weighting each $b$-hadron candidate by the inverse of the product of the per-track efficiencies. The systematic effect introduced by this weighting is tested using simulated samples of each channel. The chosen efficiency depends on whether the particle is reconstructed with the online or offline variant of the algorithm. Studies on simulated data show that tracks found by the online tracking algorithm are also found by the offline tracking efficiency. For example, the efficiency weight for each $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ candidate takes the form $\displaystyle w_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}}$ $\displaystyle=$ $\displaystyle 1/\left(\varepsilon^{\mu^{+}}_{\rm VELO,online}\ \varepsilon^{\mu^{-}}_{\rm VELO,online}\ \varepsilon^{K^{+}}_{\rm VELO,offline}\ \varepsilon^{\pi^{-}}_{\rm VELO,offline}\right),$ (5) since the two muons are required to be reconstructed online, while the kaons and the pions are reconstructed offline. In the case of the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ and $\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ channels, since no VELO information is used when reconstructing the $K^{0}_{\rm\scriptscriptstyle S}$ and $\mathchar 28931\relax$ particles, the candidate weighting functions take the form $w=1/\left(\varepsilon^{\mu^{+}}_{\rm VELO,online}\ \varepsilon^{\mu^{-}}_{\rm VELO,online}\right)$. ### 4.2 Trigger and selection efficiency The efficiency of the second stage of the software trigger depends on the $b$-hadron decay time as it requires that the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ meson is significantly displaced from the PV. A parameterisation of this efficiency, $\varepsilon_{\rm trigger}(t)$, is obtained for each $b\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X$ decay mode by exploiting a corresponding sample of $b\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X$ candidates that are selected without any displacement requirement. For each channel, the control sample corresponds to approximately $40\%$ of the total number of signal candidates. A maximum likelihood fit to the unbinned invariant mass distribution $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X)$ is performed to determine the fraction of signal decays that survive the decay-time biasing trigger requirements as a function of decay time. The same technique is used to determine the decay time efficiency of the triggered candidates caused by the offline selection, $\varepsilon_{\rm selection|trigger}(t)$, which is introduced by the requirement on the detachment of the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mesons in the sample used to reconstruct the $b$-hadron decays. The combined selection efficiency, $\varepsilon_{\rm selection}(t)$, is given by the product of $\varepsilon_{\rm trigger}(t)$ and $\varepsilon_{\rm selection|trigger}(t)$. Figure 4 shows $\varepsilon_{\rm selection}(t)$ obtained for the $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ channel as a function of decay time. The efficiencies obtained for the other $H_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X$ channels are qualitatively similar. Studies using simulated events show that the efficiency drop below $0.5{\rm\,ps}$ is caused by the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ displacement requirement. The dip near $1.5{\rm\,ps}$ appears because the PV reconstruction in the software trigger is such that some final-state tracks of short-lived $b$-hadron decays may be used to reconstruct an additional fake PV close to the true $b$-hadron decay vertex. As a result the reconstructed ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ meson does not satisfy the displacement requirement, leading to a decrease in efficiency. The efficiency parameterisation for each channel is used in the fit to measure the corresponding $b$-hadron lifetime. An exception is made for the $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ channel where, owing to its smaller event yield, $\varepsilon_{\rm selection}(t)$ measured with $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ decays is used instead. The validity of this approach is checked using large samples of simulated events. Figure 4: Combined trigger and selection efficiency, $\varepsilon_{\rm selection}(t)$, for $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ candidates. ## 5 Maximum likelihood fit For each channel, the lifetime is determined from a two-dimensional maximum likelihood fit to the unbinned $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X)$ and $t$ distributions. The full probability density function (PDF) is constructed as ${\cal P}=f_{s}({\cal S}_{m}\times{\cal S}_{t})+(1-f_{s})({\cal B}_{m}\times{\cal B}_{t})$, where $f_{s}$ is the signal fraction, determined in the fit, and ${\cal S}_{m}\times{\cal S}_{t}$ and ${\cal B}_{m}\times{\cal B}_{t}$ are the ($m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X)$, $t$) PDFs for the signal and background components, respectively. A systematic uncertainty is assigned to the assumption that the PDFs factorise. The signal mass PDF, ${\cal S}_{m}$, is modelled by the sum of two Gaussian functions. The free parameters in the fit are the common mean, the width of the narrower Gaussian function, the ratio of the second to the first Gaussian width and the fraction of the first Gaussian function. The background mass distribution, ${\cal B}_{m}$, is modelled by an exponential function with a single free parameter. The signal $b$-hadron decay time distribution is described by an exponential function with decay constant given by the $b$-hadron lifetime, $\tau_{H_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X}$. The signal decay time PDF, ${\cal S}_{t}$, is obtained by multiplying the exponential function by the combined $t$-dependent trigger and selection efficiency described in Sec. 4.2. From inspection of events in the sidebands of the $b$-hadron signal peak, the background decay time PDF, ${\cal B}_{t}$, is well modelled by a sum of three exponential functions with different decay constants that are free in the fit. These components originate from a combination of prompt candidates, where all tracks originate from the same PV, and long-lived candidates where tracks from the associated PV are combined with other tracks of long-lived particles. For each channel the exponential functions are convolved with a Gaussian resolution function with width $\sigma$ and mean $\Delta$, an offset of the order of a few femtoseconds that is fixed in the fit. Using a sample of prompt ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ background events, the decay time resolution for $H_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X$ channels reconstructed using long tracks has been measured to be approximately $45\rm\,fs$ [47]. For $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ and $\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ decays, which use downstream tracks to reconstruct the $K^{0}_{\rm\scriptscriptstyle S}$ and $\mathchar 28931\relax$ particles, a similar study of an event sample composed of prompt ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mesons combined with two downstream tracks, reconstructed as either a $K^{0}_{\rm\scriptscriptstyle S}$ or $\mathchar 28931\relax$, has determined the resolution to be $65\rm\,fs$. The systematic uncertainties related to the choice of resolution model are discussed in Sec. 6. The negative log-likelihood, constructed as $-\ln{\cal L}=-\alpha\sum_{\mathrm{events}\;i}{w_{i}\ln{{\cal P}}},$ (6) is minimised in the fit, where the weights $w_{i}$ correspond to the per- candidate correction for the VELO reconstruction efficiency described in Sec. 4.1. The factor $\alpha=\sum_{i}w_{i}/\sum_{i}w_{i}^{2}$ is used to include the effect of the weights in the determination of the uncertainties [48]. Figures 1 and 2 show the result of fitting this model to the selected candidates for each channel, projected onto the corresponding $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X)$ and $t$ distributions. As a consistency check, an alternative fit procedure is developed where each event is given a signal weight, $W_{i}$, determined using the sPlot [49] method with $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X)$ as the discriminating variable and using the mass model described above. A weighted fit to the decay time distribution using the signal PDF is then used to measure the $b$-hadron lifetime. In this case, the negative log-likelihood is given by Eq. (6) where $w_{i}$ is replaced with $W_{i}w_{i}$ and $\alpha=\sum_{i}(W_{i}w_{i})/\sum_{i}(W_{i}w_{i})^{2}$. The difference between the results of the two fitting procedures is used to estimate the systematic uncertainty on the background description. ## 6 Systematic uncertainties The systematic effects affecting the measurements reported here are discussed in the following and summarised in Tables 4 and 5. The systematic uncertainty related to the VELO-track reconstruction efficiency can be split into two components. The first uncertainty is due to the finite size of the $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ sample, reconstructed using downstream kaon tracks, which is used to determine the per-candidate efficiency weights and leads to a statistical uncertainty on the $\varepsilon_{\rm VELO}(\mbox{$\rho$})$ parameterisation. The lifetime fits are repeated after varying the parameters by $\pm 1\sigma$ and the largest difference between the lifetimes is assigned as the uncertainty. The second uncertainty is due to the scaling factors, which are used to correct the efficiency for phase-space effects, obtained from simulated events. The fit is repeated using the unscaled efficiency and half of the variation in fit results is assigned as a systematic uncertainty. These contributions, of roughly the same size, are added in quadrature in Table 4. A number of additional consistency checks are performed to investigate possible mismodelling of the VELO-track reconstruction efficiency. First, $\varepsilon_{\rm VELO}(\mbox{$\rho$})$ is evaluated in two track momentum and two track multiplicity bins and the event weights recalculated. Using both data and simulated events, no significant change in the lifetimes is observed after repeating the fit with the updated weights and, therefore, no systematic uncertainty is assigned. Secondly, to assess the sensitivity to the choice of parameterisation for $\varepsilon_{\rm VELO}(\mbox{$\rho$})$ (Eq. 4), the results are compared to those with linear model for the efficiency. The effect is found to be negligible and no systematic uncertainty is applied. Thirdly, the dependence of the VELO-track reconstruction efficiency on the azimuthal angle, $\phi$, of each track is studied by independently evaluating the efficiency in four $\phi$ quadrants for both data and simulation. No dependence is observed. Finally, the efficiency is determined separately for both positive and negative kaons and found to be compatible. The techniques described in Sec. 4 to correct the efficiency as a function of the decay time are validated on simulated data. The lifetime is fit in each simulated signal mode and the departure from the generated lifetime, $\Delta\tau$, is found to be compatible with zero within the statistical precision of each simulated sample. The measured lifetimes in the data sample are corrected by each $\Delta\tau$ and a corresponding systematic uncertainty is assigned, given by the size of the statistical uncertainty on the fitted lifetime for each simulated signal mode. The assumption that $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X)$ is independent of the decay time is central to the validity of the likelihood fits used in this study. It is tested by re-evaluating the signal weights of the alternative fit in bins of decay time and then refitting the entire sample using the modified weights. The systematic uncertainty for each decay mode is evaluated as the sum in quadrature of the lifetime variations, each weighted by the fraction of signal events in the corresponding bin. For each signal decay mode, the effect of the limited size of the control sample used to estimate the combined trigger and selection efficiency is evaluated by repeating the fits with $\varepsilon_{\rm selection}(t)$ randomly fluctuated within its statistical uncertainty. The standard deviation of the distribution of lifetimes obtained is assigned as the systematic uncertainty. The alternative likelihood fit does not assume any model for the decay time distribution associated with the combinatorial background. Therefore, the systematic uncertainty associated to the modelling of this background is evaluated by taking the difference in lifetimes measured by the nominal and alternative fit methods. The fit uses a double Gaussian function to describe the $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X)$ distribution of signal candidates. This assumption is tested by repeating the fit using a double- sided Apollonios function [50] where the mean and width parameters are varied in the fit and the remaining parameters are fixed to those from simulation. The differences in lifetime with respect to the default results are taken as systematic uncertainties. As described in Sec. 5 the dominant background in each channel is combinatorial in nature. It is also possible for backgrounds to arise due to misreconstruction of $b$-hadron decays where the particle identification has failed. The presence of such backgrounds is checked by inspecting events in the sidebands of the signal and re-assigning the mass hypotheses of at least one of the final-state hadrons. The only contributions that have an impact are $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ decays in the $B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ channel where a proton is misidentified as a kaon and the cross-feed component between $B^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ and $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ decays where pion and protons are misidentified. In the case of $B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ decays, the fit is repeated including a contribution of $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ decays. The two-dimensional PDF is determined from simulation, while the yield is found to be $6\%$ from the sidebands of the $B^{0}_{s}$ sample. This leads to the effective lifetime changing by $0.4\rm\,fs$, which is assigned as a systematic uncertainty. A similar procedure is used to determine the invariant mass shape of the cross-feed background between $B^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ and $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ decays, while the decay time is modelled with the exponential distribution of the corresponding signal mode. A simultaneous fit to both data samples is performed in order to constrain the yield of the cross-feed and the resulting change in lifetime of $-0.3\rm\,fs$ and $+1.1\rm\,fs$ for $B^{0}$ and $\mathchar 28931\relax^{0}_{b}$, respectively, is assigned as a systematic uncertainty. Another potential source of background is the incorrect association of signal $b$ hadrons to their PV, which results in an erroneous reconstruction of the decay time. Since the fitting procedure ignores this contribution, a systematic uncertainty is evaluated by repeating the fit after including in the background model a component describing the incorrectly associated candidates. The background distribution is determined by calculating the decay time for each $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ decay with respect to a randomly chosen PV from the previous selected event. In studies of simulated events the fraction of this background is less than $0.1\%$. Repeating the fit with a $1\%$ contribution results in the lifetime changing by $0.1\rm\,fs$ and, therefore, no systematic uncertainty is assigned. The measurement of the effective lifetime in the $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ channel is integrated over the angular distributions of the final-state particles and is, in the case of uniform angular efficiency, insensitive to the different polarisations of the final state [47]. To check if the angular acceptance introduced by the detector geometry and event selection can affect the measured lifetime, the events are weighted by the inverse of the angular efficiency determined in Ref. [47]. Repeating the fit with the weighted dataset leads to a shift of the lifetime of $-1.0\rm\,fs$, the same as is observed in simulation. The final result is corrected by this shift, which is also assigned as a systematic uncertainty. The $B^{0}_{s}$ effective lifetime could also be biased due to a small $C\\!P$-odd S-wave component from $B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ decays that is ignored in the fit. For the $m(K^{+}K^{-})$ mass range used here (Sec. 3), Ref. [51] indicates that the S-wave contribution is $1.1\%$. The effect of ignoring such a component is evaluated by repeating the fit on simulated experiments with an additional $1\%$ $C\\!P$-odd component. A change in the lifetime of $-1.2\rm\,fs$ is observed, which is used to correct the final lifetime and is also taken as a systematic uncertainty. Finally, as described in Sec. 3, only events with a decay time larger than $0.3{\rm\,ps}$ are considered in the nominal fit. This offset leads to a different relative contribution of the heavy and light mass eigenstates such that the lifetime extracted from the exponential fit does not correspond to the effective lifetime defined in Eq. (2). A correction of $-0.3\rm\,fs$ is applied to account for this effect. The presence of a production asymmetry between $B^{0}$ and $\overline{B}^{0}$ mesons could bias the measured $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ effective lifetime, and therefore $\Delta\Gamma_{d}/\Gamma_{d}$, by adding additional terms in Eq. (2). The production asymmetry is measured to be $A_{\rm P}(B^{0})=(0.6\pm 0.9)\%$ [52], the uncertainty of which is used to estimate a corresponding systematic uncertainty on the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ lifetime of $1.1\rm\,fs$. No uncertainty is assigned to the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ lifetime since this decay mode is flavour-specific222Flavour-specific means that the final state is only accessible via the decay of a $B^{0}_{(s)}$ meson and accessible by a meson originally produced as a $\overline{B}^{0}_{(s)}$ only via oscillation. and the production asymmetry cancels in the untagged decay rate. For the $B^{0}_{s}$ system, the rapid oscillations, due to the large value of $\Delta m_{s}=17.768\pm 0.024{\rm\,ps^{-1}}$ [53], reduce the effect of a production asymmetry, reported as $A_{\rm P}(B^{0}_{s})=(7\pm 5)\%$ in Ref. [52], to a negligible level. Hence, no corresponding systematic uncertainty is assigned. There is a $0.02\%$ relative uncertainty on the lifetime measurements due to the uncertainty on the length scale of LHCb [53], which is mainly determined by the VELO modules $z$ positions. These are evaluated by a survey, having an accuracy of $0.1\rm\,mm$ over the full length of the VELO ($1000\rm\,mm$), and refined through a track-based alignment. The alignment procedure is more precise for the first track hits, that are less affected by multiple scattering and whose distribution of $z$ positions have an RMS of $100\rm\,mm$. In this region, the differences between the module positions obtained from the survey and track-based alignment are within $0.02\rm\,mm$, which is taken as systematic uncertainty. The systematic uncertainty related to the momentum scale calibration affects both the $b$ hadron candidate mass and momentum and, therefore, cancels when computing the decay time. The systematic uncertainty related to the choice of $45\rm\,fs$ for the width of the decay-time resolution function ($65\rm\,fs$ in the case of $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ and $\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$) is evaluated by changing the width by $\pm 15\rm\,fs$ and repeating the fit. This change in width is larger than the estimated uncertainty on the resolution and leads to a negligible change in the fit results. Consequently, no systematic uncertainty is assigned. Furthermore, to test the sensitivity of the lifetimes to potential mismodelling of the long tails in the resolution, the resolution model is changed from a single Gaussian function to a sum of two or three Gaussian functions with parameters fixed from simulation. Repeating the fit with the new resolution model causes no significant change to the lifetimes and no systematic uncertainty is assigned. The lifetimes are insensitive to the offset, $\Delta$, in the resolution model. Several consistency checks are performed to study the stability of the lifetimes, by comparing the results obtained using different subsets of the data in terms of magnet polarity, data taking period, $b$-hadron and track kinematic variables, number of PVs in the event and track multiplicity. In all cases, no trend is observed and all lifetimes are compatible with the nominal results. Table 4: Statistical and systematic uncertainties (in femtoseconds) for the values of the $b$-hadron lifetimes. The total systematic uncertainty is obtained by combining the individual contributions in quadrature. Source | $\tau_{B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}}$ | $\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}}$ | $\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}}$ | $\tau_{\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax}$ | $\tau_{B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi}$ ---|---|---|---|---|--- Statistical uncertainty | 3.5 | 6.1 | 12.8 | 26.5 | 11.4 VELO reconstruction | 2.0 | 2.3 | 0.9 | 0.5 | 2.3 Simulation sample size | 1.7 | 2.3 | 2.9 | 3.7 | 2.4 Mass-time correlation | 1.4 | 1.8 | 2.1 | 3.0 | 0.7 Trigger and selection eff. | 1.1 | 1.2 | 2.0 | 2.0 | 2.5 Background modelling | 0.1 | 0.2 | 2.2 | 2.1 | 0.4 Mass modelling | 0.1 | 0.2 | 0.4 | 0.2 | 0.5 Peaking background | – | – | 0.3 | 1.1 | 0.4 Effective lifetime bias | – | – | – | – | 1.6 $B^{0}$ production asym. | – | – | 1.1 | – | – LHCb length scale | 0.4 | 0.3 | 0.3 | 0.3 | 0.3 Total systematic | 3.2 | 3.9 | 4.9 | 5.7 | 4.6 Table 5: Statistical and systematic uncertainties (in units of $10^{-3}$) for the lifetime ratios and $\Delta\Gamma_{d}/\Gamma_{d}$. For brevity, $\tau_{B^{0}}$ $(\tau_{\overline{B}^{0}})$ corresponds to the measurement of $\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}}$ $(\tau_{\overline{B}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\overline{K}^{*0}})$. The total systematic uncertainty is obtained by combining the individual contributions in quadrature. Source | $\tau_{B^{+}}/\tau_{B^{0}}$ | $\tau_{B^{0}_{s}}/\tau_{B^{0}}$ | $\tau_{\mathchar 28931\relax^{0}_{b}}/\tau_{B^{0}}$ | $\tau_{B^{+}}/\tau_{B^{-}}$ | $\tau_{\mathchar 28931\relax^{0}_{b}}/\tau_{\kern 0.63004pt\overline{\kern-0.63004pt\mathchar 28931\relax}^{0}_{b}}$ | $\tau_{B^{0}}/\tau_{\overline{B}^{0}}$ | $\Delta\Gamma_{d}/\Gamma_{d}$ ---|---|---|---|---|---|---|--- Statistical uncertainty | 5.0 | 8.5 | 18.0 | 4.0 | 35.0 | 8.0 | 25.0 VELO reconstruction | 1.6 | 1.7 | 1.1 | – | – | – | 4.1 Simulation sample size | 2.0 | 2.2 | 2.8 | 2.1 | 5.3 | 3.0 | 6.3 Mass-time correlation | 1.6 | 1.2 | 2.3 | – | – | – | 4.7 Trigger and selection eff. | 1.1 | 1.8 | 1.5 | – | – | – | 4.0 Background modelling | 0.3 | 0.1 | 1.5 | 0.2 | 3.0 | 1.4 | 3.8 Mass modelling | 0.2 | 0.4 | 0.2 | 0.1 | 0.2 | 0.2 | 0.8 Peaking background | – | 0.3 | 0.7 | – | – | – | 0.5 Effective lifetime bias | – | 1.0 | – | – | – | – | – $B^{0}$ production asym. | – | – | – | – | – | 8.5 | 1.9 Total systematic | 3.2 | 3.7 | 4.4 | 2.1 | 6.1 | 9.1 | 10.7 The majority of the systematic uncertainties described above can be propagated to the lifetime ratio measurements in Table 7. However, some of the uncertainties are correlated between the individual lifetimes and cancel in the ratio. For the first set of ratios and for $\Delta\Gamma_{d}/\Gamma_{d}$, the systematic uncertainty from the VELO-reconstruction efficiency weights and the LHCb length scale are considered as fully correlated. For the second set of ratios, other systematic uncertainties, as indicated in Table 5, cancel, since the ratio is formed from lifetimes measured using the same decay mode. In contrast to the situation for the measurement of the $B^{0}$ lifetime in the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ mode, the $B^{0}$ production asymmetry does lead to a systematic uncertainty on the measurement of $\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}}/\tau_{\overline{B}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\overline{K}^{*0}}$ since terms like $A_{\rm P}\cos(\Delta m_{d}t)$ do not cancel in the decay rates describing the decays of $B^{0}$ and $\overline{B}^{0}$ mesons to ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ and ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\overline{K}^{*0}$ final states. The effect of candidates where the flavour, via the particle identification of the decay products, has not been correctly assigned is investigated and found to be negligible. ## 7 Results and conclusions The measured $b$-hadron lifetimes are reported in Table 6. All results are compatible with existing world averages [13]. The reported $\tau_{\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax}$ is smaller by approximately $2\sigma$ than a previous measurements from LHCb [8]. With the exception of the $\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ channel, these are the single most precise measurements of the $b$-hadron lifetimes. The $B^{0}_{s}$ meson effective lifetime is measured using the same data set as used in Ref. [47] for the measurement of the $B^{0}_{s}$ meson mixing parameters and polarisation amplitudes in $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ decays. The $B^{0}_{s}$ meson effective lifetime computed from these quantities is compatible with the lifetime reported in this paper and a combination of the two results is, therefore, inappropriate. Table 6: Fit results for the $B^{+}$, $B^{0}$, $B^{0}_{s}$ mesons and $\mathchar 28931\relax^{0}_{b}$ baryon lifetimes. The first uncertainty is statistical and the second is systematic. Lifetime Value [${\rm\,ps}$ ] $\tau_{B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}}$ 1.637 $\pm$ 0.004 $\pm$ 0.003 $\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}}$ 1.524 $\pm$ 0.006 $\pm$ 0.004 $\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}}$ 1.499 $\pm$ 0.013 $\pm$ 0.005 $\tau_{\mathchar 28931\relax^{0}_{b}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax}$ 1.415 $\pm$ 0.027 $\pm$ 0.006 $\tau_{B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi}$ 1.480 $\pm$ 0.011 $\pm$ 0.005 Table 7 reports the ratios of the $B^{+}$, $B^{0}_{s}$ and $\mathchar 28931\relax^{0}_{b}$ lifetimes to the $B^{0}$ lifetime measured in the flavour-specific $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ channel. This decay mode provides a better normalisation than the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ channel due to the lower statistical uncertainty on the $B^{0}$ meson lifetime and due to the fact that the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ lifetime only depends quadratically on $\Delta\Gamma_{d}/\Gamma_{d}$, as shown in Eq. (7). The statistical and systematic uncertainties from the absolute lifetime measurements are propagated to the ratios, taking into account the correlations between the systematic uncertainties. All ratios are consistent with SM predictions [24, 25, 22, 30, 23, 31, 32, 15] and with previous measurements [13]. Furthermore, the ratios $\tau_{B^{+}}/\tau_{B^{-}}$, $\tau_{\mathchar 28931\relax^{0}_{b}}/\tau_{\kern 0.70004pt\overline{\kern-0.70004pt\mathchar 28931\relax}^{0}_{b}}$ and $\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}}/\tau_{\overline{B}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\overline{K}^{*0}}$ are reported. Measuring any of these different from unity would indicate a violation of $C\\!PT$ invariance or, for $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ decays, could also indicate that $\Delta\Gamma_{d}$ is non-zero and $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ is not $100\%$ flavour-specific. No deviation from unity of these ratios is observed. Table 7: Lifetime ratios for the $B^{+}$, $B^{0}$, $B^{0}_{s}$ mesons and $\mathchar 28931\relax^{0}_{b}$ baryon. The first uncertainty is statistical and the second is systematic. Ratio Value $\tau_{B^{+}}/\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}}$ 1.074 $\pm$ 0.005 $\pm$ 0.003 $\tau_{B^{0}_{s}}/\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}}$ 0.971 $\pm$ 0.009 $\pm$ 0.004 $\tau_{\mathchar 28931\relax^{0}_{b}}/\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}}$ 0.929 $\pm$ 0.018 $\pm$ 0.004 $\tau_{B^{+}}/\tau_{B^{-}}$ 1.002 $\pm$ 0.004 $\pm$ 0.002 $\tau_{\mathchar 28931\relax^{0}_{b}}/\tau_{\kern 0.70004pt\overline{\kern-0.70004pt\mathchar 28931\relax}^{0}_{b}}$ 0.940 $\pm$ 0.035 $\pm$ 0.006 $\tau_{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}}/\tau_{\overline{B}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\overline{K}^{*0}}$ 1.000 $\pm$ 0.008 $\pm$ 0.009 The effective lifetimes of $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ and $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}$ decays are used to measure $\Delta\Gamma_{d}/\Gamma_{d}$. Flavour-specific final states such as $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ have $\mathcal{A}_{\Delta\Gamma_{d}}^{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}}=0$, while $\mathcal{A}_{\Delta\Gamma_{d}}^{B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}}=\cos(2\beta)$ to a good approximation in the SM, where $\beta\equiv\arg\left[-(V_{cd}V^{*}_{cb})/(V_{td}V^{*}_{tb})\right]$ is one of the CKM unitarity triangle angles. Hence, the two effective lifetimes can be expressed as $\displaystyle\tau_{B^{0}\rightarrow J/\psi K^{*0}}$ $\displaystyle=\frac{1}{\Gamma_{d}}\frac{1}{1-y_{d}^{2}}\left(1+y_{d}^{2}\right),$ (7) $\displaystyle\tau_{B^{0}\rightarrow J/\psi K^{0}_{S}}$ $\displaystyle=\frac{1}{\Gamma_{d}}\frac{1}{1-y_{d}^{2}}\left(\frac{1+2\cos(2\beta)y_{d}+y_{d}^{2}}{1+\cos(2\beta)y_{d}}\right).$ (8) Using the effective lifetimes reported in Table 6 and $\beta=(21.5^{+0.8}_{-0.7})^{\circ}$ [13], a fit of $\Delta\Gamma_{d}$ and $\Gamma_{d}$ to the expressions in Eq. (7) and Eq. (8) leads to $\displaystyle\Gamma_{d}$ $\displaystyle=\phantom{+}0.656\pm 0.003\pm 0.002{\rm\,ps^{-1}},$ (9) $\displaystyle\Delta\Gamma_{d}$ $\displaystyle=-0.029\pm 0.016\pm 0.007{\rm\,ps^{-1}},$ (10) where the first uncertainty is statistical and the second is systematic. The correlation coefficient between $\Delta\Gamma_{d}$ and $\Gamma_{d}$ is $0.43$ when including statistical and systematic uncertainties. The combination gives $\frac{\Delta\Gamma_{d}}{\Gamma_{d}}=-0.044\pm 0.025\pm 0.011,$ (11) consistent with the SM expectation [14, 15] and the current world-average value [13]. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); MEN/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). We are indebted to the communities behind the multiple open source software packages we depend on. We are also thankful for the computing resources and the access to software R&D tools provided by Yandex LLC (Russia). ## References * [1] V. A. Khoze and M. A. Shifman, Heavy quarks, Sov. Phys. Usp. 26 (1983) 387 * [2] M. A. Shifman and M. Voloshin, Preasymptotic effects in inclusive weak decays of charmed particles, Sov. J. Nucl. Phys. 41 (1985) 120 * [3] M. A. Shifman and M. Voloshin, Hierarchy of lifetimes of charmed and beautiful hadrons, Sov. Phys. JETP 64 (1986) 698 * [4] I. I. Bigi, N. Uraltsev, and A. Vainshtein, Nonperturbative corrections to inclusive beauty and charm decays: QCD versus phenomenological models, Phys. Lett. B293 (1992) 430, arXiv:hep-ph/9207214 * [5] I. I. 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arxiv-papers
2014-02-11T16:40:32
2024-09-04T02:49:58.090027
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, B. Adeva, M. Adinolfi, A. Affolder, Z.\n Ajaltouni, J. Albrecht, F. Alessio, M. Alexander, S. Ali, G. Alkhazov, P.\n Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio, Y. Amhis, L. Anderlini,\n J. Anderson, R. Andreassen, M. Andreotti, J.E. Andrews, R.B. Appleby, O.\n Aquines Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G.\n Auriemma, M. Baalouch, S. Bachmann, J.J. Back, A. Badalov, V. Balagura, W.\n Baldini, R.J. Barlow, C. Barschel, S. Barsuk, W. Barter, V. Batozskaya, Th.\n Bauer, A. Bay, J. Beddow, F. Bedeschi, I. Bediaga, S. Belogurov, K. Belous,\n I. Belyaev, E. Ben-Haim, G. Bencivenni, S. Benson, J. Benton, A. Berezhnoy,\n R. Bernet, M.-O. Bettler, M. van Beuzekom, A. Bien, S. Bifani, T. Bird, A.\n Bizzeti, P.M. Bj{\\o}rnstad, T. Blake, F. Blanc, J. Blouw, S. Blusk, V. Bocci,\n A. Bondar, N. Bondar, W. Bonivento, S. Borghi, A. Borgia, M. Borsato, T.J.V.\n Bowcock, E. Bowen, C. Bozzi, T. Brambach, J. van den Brand, J. Bressieux, D.\n Brett, M. Britsch, T. Britton, N.H. Brook, H. Brown, A. Bursche, G. Busetto,\n J. Buytaert, S. Cadeddu, R. Calabrese, O. Callot, M. Calvi, M. Calvo Gomez,\n A. Camboni, P. Campana, D. Campora Perez, A. Carbone, G. Carboni, R.\n Cardinale, A. Cardini, H. Carranza-Mejia, L. Carson, K. Carvalho Akiba, G.\n Casse, L. Castillo Garcia, M. Cattaneo, Ch. Cauet, R. Cenci, M. Charles, Ph.\n Charpentier, S.-F. Cheung, N. Chiapolini, M. Chrzaszcz, K. Ciba, X. Cid\n Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J. Closier, C.\n Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A. Comerma-Montells, A.\n Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, I. Counts, B. Couturier,\n G.A. Cowan, D.C. Craik, M. Cruz Torres, S. Cunliffe, R. Currie, C.\n D'Ambrosio, J. Dalseno, P. David, P.N.Y. David, A. Davis, I. De Bonis, K. De\n Bruyn, S. De Capua, M. De Cian, J.M. De Miranda, L. De Paula, W. De Silva, P.\n De Simone, D. Decamp, M. Deckenhoff, L. Del Buono, N. D\\'el\\'eage, D.\n Derkach, O. Deschamps, F. Dettori, A. Di Canto, H. Dijkstra, S. Donleavy, F.\n Dordei, M. Dorigo, P. Dorosz, A. Dosil Su\\'arez, D. Dossett, A. Dovbnya, F.\n Dupertuis, P. Durante, R. Dzhelyadin, A. Dziurda, A. Dzyuba, S. Easo, U.\n Egede, V. Egorychev, S. Eidelman, S. Eisenhardt, U. Eitschberger, R. Ekelhof,\n L. Eklund, I. El Rifai, Ch. Elsasser, S. Esen, A. Falabella, C. F\\\"arber, C.\n Farinelli, S. Farry, D. Ferguson, V. Fernandez Albor, F. Ferreira Rodrigues,\n M. Ferro-Luzzi, S. Filippov, M. Fiore, M. Fiorini, C. Fitzpatrick, M.\n Fontana, F. Fontanelli, R. Forty, O. Francisco, M. Frank, C. Frei, M.\n Frosini, E. Furfaro, A. Gallas Torreira, D. Galli, M. Gandelman, P. Gandini,\n Y. Gao, J. Garofoli, J. Garra Tico, L. Garrido, C. Gaspar, R. Gauld, E.\n Gersabeck, M. Gersabeck, T. Gershon, Ph. Ghez, A. Gianelle, S. Giani', V.\n Gibson, L. Giubega, V.V. Gligorov, C. G\\\"obel, D. Golubkov, A. Golutvin, A.\n Gomes, H. Gordon, M. Grabalosa G\\'andara, R. Graciani Diaz, L.A. Granado\n Cardoso, E. Graug\\'es, G. Graziani, A. Grecu, E. Greening, S. Gregson, P.\n Griffith, L. Grillo, O. Gr\\\"unberg, B. Gui, E. Gushchin, Yu. Guz, T. Gys, C.\n Hadjivasiliou, G. Haefeli, C. Haen, T.W. Hafkenscheid, S.C. Haines, S. Hall,\n B. Hamilton, T. Hampson, S. Hansmann-Menzemer, N. Harnew, S.T. Harnew, J.\n Harrison, T. Hartmann, J. He, T. Head, V. Heijne, K. Hennessy, P. Henrard,\n J.A. Hernando Morata, E. van Herwijnen, M. He\\ss, A. Hicheur, D. Hill, M.\n Hoballah, C. Hombach, W. Hulsbergen, P. Hunt, N. Hussain, D. Hutchcroft, D.\n Hynds, V. Iakovenko, M. Idzik, P. Ilten, R. Jacobsson, A. Jaeger, E. Jans, P.\n Jaton, A. Jawahery, F. Jing, M. John, D. Johnson, C.R. Jones, C. Joram, B.\n Jost, N. Jurik, M. Kaballo, S. Kandybei, W. Kanso, M. Karacson, T.M. Karbach,\n I.R. Kenyon, T. Ketel, B. Khanji, C. Khurewathanakul, S. Klaver, O.\n Kochebina, I. Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A.\n Kozlinskiy, L. Kravchuk, K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F.\n Kruse, M. Kucharczyk, V. Kudryavtsev, K. Kurek, T. Kvaratskheliya, V.N. La\n Thi, D. Lacarrere, G. Lafferty, A. Lai, D. Lambert, R.W. Lambert, E.\n Lanciotti, G. Lanfranchi, C. Langenbruch, T. Latham, C. Lazzeroni, R. Le Gac,\n J. van Leerdam, J.-P. Lees, R. Lef\\`evre, A. Leflat, J. Lefran\\c{c}ois, S.\n Leo, O. Leroy, T. Lesiak, B. Leverington, Y. Li, M. Liles, R. Lindner, C.\n Linn, F. Lionetto, B. Liu, G. Liu, S. Lohn, I. Longstaff, J.H. Lopes, N.\n Lopez-March, P. Lowdon, H. Lu, D. Lucchesi, J. Luisier, H. Luo, E. Luppi, O.\n Lupton, F. Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S. Malde, G.\n Manca, G. Mancinelli, M. Manzali, J. Maratas, U. Marconi, P. Marino, R.\n M\\\"arki, J. Marks, G. Martellotti, A. Martens, A. Mart\\'in S\\'anchez, M.\n Martinelli, D. Martinez Santos, D. Martins Tostes, A. Massafferri, R. Matev,\n Z. Mathe, C. Matteuzzi, A. Mazurov, M. McCann, J. McCarthy, A. McNab, R.\n McNulty, B. McSkelly, B. Meadows, F. Meier, M. Meissner, M. Merk, D.A.\n Milanes, M.-N. Minard, J. Molina Rodriguez, S. Monteil, D. Moran, M.\n Morandin, P. Morawski, A. Mord\\`a, M.J. Morello, R. Mountain, F. Muheim, K.\n M\\\"uller, R. Muresan, B. Muryn, B. Muster, P. Naik, T. Nakada, R. Nandakumar,\n I. Nasteva, M. Needham, S. Neubert, N. Neufeld, A.D. Nguyen, T.D. Nguyen, C.\n Nguyen-Mau, M. Nicol, V. Niess, R. Niet, N. Nikitin, T. Nikodem, A.\n Novoselov, A. Oblakowska-Mucha, V. Obraztsov, S. Oggero, S. Ogilvy, O.\n Okhrimenko, R. Oldeman, G. Onderwater, M. Orlandea, J.M. Otalora Goicochea,\n P. Owen, A. Oyanguren, B.K. Pal, A. Palano, M. Palutan, J. Panman, A.\n Papanestis, M. Pappagallo, L. Pappalardo, C. Parkes, C.J. Parkinson, G.\n Passaleva, G.D. Patel, M. Patel, C. Patrignani, C. Pavel-Nicorescu, A. Pazos\n Alvarez, A. Pearce, A. Pellegrino, G. Penso, M. Pepe Altarelli, S. Perazzini,\n E. Perez Trigo, P. Perret, M. Perrin-Terrin, L. Pescatore, E. Pesen, G.\n Pessina, K. Petridis, A. Petrolini, E. Picatoste Olloqui, B. Pietrzyk, T.\n Pila\\v{r}, D. Pinci, A. Pistone, S. Playfer, M. Plo Casasus, F. Polci, G.\n Polok, A. Poluektov, E. Polycarpo, A. Popov, D. Popov, B. Popovici, C.\n Potterat, A. Powell, J. Prisciandaro, A. Pritchard, C. Prouve, V. Pugatch, A.\n Puig Navarro, G. Punzi, W. Qian, B. Rachwal, J.H. Rademacker, B.\n Rakotomiaramanana, M. Rama, M.S. Rangel, I. Raniuk, N. Rauschmayr, G. Raven,\n S. Redford, S. Reichert, M.M. Reid, A.C. dos Reis, S. Ricciardi, A. Richards,\n K. Rinnert, V. Rives Molina, D.A. Roa Romero, P. Robbe, D.A. Roberts, A.B.\n Rodrigues, E. Rodrigues, P. Rodriguez Perez, S. Roiser, V. Romanovsky, A.\n Romero Vidal, M. Rotondo, J. Rouvinet, T. Ruf, F. Ruffini, H. Ruiz, P. Ruiz\n Valls, G. Sabatino, J.J. Saborido Silva, N. Sagidova, P. Sail, B. Saitta, V.\n Salustino Guimaraes, B. Sanmartin Sedes, R. Santacesaria, C. Santamarina\n Rios, E. Santovetti, M. 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Zavertyaev, F. Zhang, L. Zhang, W.C.\n Zhang, Y. Zhang, A. Zhelezov, A. Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Greig Cowan Dr", "url": "https://arxiv.org/abs/1402.2554" }
1402.2633
Identification and correction of sample mix-ups in expression genetic data: A case study Karl W. Broman∗,1, Mark P. Keller†, Aimee Teo Broman∗, Christina Kendziorski∗, Brian S. Yandell‡,§, Śaunak Sen∗∗,2, Alan D. Attie† ∗Department of Biostatistics and Medical Informatics, †Department of Biochemistry, ‡Department of Statistics, and §Department of Horticulture, University of Wisconsin–Madison, Madison, Wisconsin 53706, and ∗∗Department of Epidemiology and Biostatistics, University of California, San Francisco, California 94107 Running head: Correcting sample mix-ups in eQTL data Key words: quality control, microarrays, genetical genomics, mislabeling errors, eQTL 1Corresponding author: | Karl W Broman ---|--- | Department of Biostatistics and Medical Informatics | University of Wisconsin–Madison | 2126 Genetics-Biotechnology Center | 425 Henry Mall | Madison, WI 53706 | Phone: | 608–262–4633 | Email: | `[email protected]` 2Present address: Division of Biostatistics, Department of Preventive Medicine, University of Tennessee Health Science Center, Memphis, TN 38163 Abstract In a mouse intercross with more than 500 animals and genome-wide gene expression data on six tissues, we identified a high proportion (18%) of sample mix-ups in the genotype data. Local expression quantitative trait loci (eQTL; genetic loci influencing gene expression) with extremely large effect were used to form a classifier to predict an individual’s eQTL genotype based on expression data alone. By considering multiple eQTL and their related transcripts, we identified numerous individuals whose predicted eQTL genotypes (based on their expression data) did not match their observed genotypes, and then went on to identify other individuals whose genotypes did match the predicted eQTL genotypes. The concordance of predictions across six tissues indicated that the problem was due to mix-ups in the genotypes (though we further identified a small number of sample mix-ups in each of the six panels of gene expression microarrays). Consideration of the plate positions of the DNA samples indicated a number of off-by-one and off-by-two errors, likely the result of pipetting errors. Such sample mix-ups can be a problem in any genetic study, but eQTL data allow us to identify, and even correct, such problems. Our methods have been implemented in an R package, R/lineup. Introduction To map the genetic loci influencing a complex phenotype, one seeks to establish an association between genotype and phenotype. In such an effort, the maintenance of the concordance between genotyped and phenotyped samples and data is critical. Sample mislabelings and other sample mix-ups will weaken associations, resulting in reduced power and biased estimates of locus effects. In traditional genetic studies, one has limited ability to detect sample mix-ups and almost no ability to correct such problems. Inconsistencies between subjects’ sex and X chromosome genotypes may reveal some problems, and in family studies, some errors may be revealed through Mendelian inconsistencies at markers, but we will generally be blind to most errors. In expression genetics studies, in which genome-wide gene expression is assayed along with genotypes at genetic markers, the presence of expression quantitative trait loci (eQTL) with profound effect on gene expression (particularly local-eQTL, in which a polymorphism near a gene affects the expression of that gene) provides an opportunity to not just identify but also correct sample mix-ups. In a mouse intercross with more than 500 animals and genome-wide gene expression data on six tissues, we identified a high proportion (18%) of sample mix-ups in the genotype data. We further identified a small number of mix-ups among the expression arrays in each tissue. A number of investigators have developed methods for identifying such sample mix-ups (Westra et al. 2011; Schadt et al. 2012; Lynch et al. 2012; Ekstrøm and Feenstra 2012), and a similar approach was applied by Baggerly and Coombes (2008, 2009) in their forensic bioinformatics analyses of the Duke debacle. We have developed a further approach that is simple but effective. We illustrate its use through a particularly dramatic example. Methods Mice and genotyping C57BL/6J (abbreviated B6 or B) and BTBR _T_ + _tf_ /J (abbreviated BTBR or R) mice were purchased from the Jackson Laboratory (Bar Harbor, ME) and bred at the University of Wisconsin–Madison. The _Lep ob_ mutation was introgressed into all strains using heterozygous parents to generate homozygous _Lep ob/ob_ offspring. F2 mice, all _Lep ob/ob_, were the offspring of F1 parents derived from a cross between BTBR females and B6 males (Figure S1). F2 mice and a small number of parental and F1 controls were genotyped with the 5K GeneChip (Affymetrix). Gene expression microarrays Gene expression was assayed with custom two-color ink-jet microarrays manufactured by Agilent Technologies (Palo Alto, CA). RNA preparations were performed at Rosetta Inpharmatics (Merck & Co.). Six tissues were considered: adipose, gastrocnemius muscle (abbreviated gastroc), hypothalamus (abbreviated hypo), pancreatic islets (abbreviated islet), kidney, and liver. Tissue- specific mRNA pools were used for the second channel, and gene expression was quantified as the ratio of the mean log10 intensity (mlratio). For further details, see Keller et al. (2008). Sample mix-ups in the gene expression arrays Let $x^{s}_{ip}$ denote the gene expression measure for sample $i$ at array probe $p$ in tissue $s$. We first considered each probe and each pair of tissues and calculated the between-tissue correlation across samples, omitting any samples with missing data for that probe in either tissue. We identified the subset of probes, for each tissue pair, with correlation $>$ 0.75. With this subset of probes, we then calculated the correlation between sample $i$ in tissue $s$ and sample $j$ in tissue $t$; call it $r^{st}_{ij}$. As an illustration, consider the schematic in Figure 1: for each pair of tissues, we identified the subset of probes with high between-tissue correlation (the shaded region) and then evaluated the correlation between a sample in one tissue and another sample in the other tissue, across that subset of probes. Figure 1: Scheme for evaluating the similarity between expression arrays for different tissues. We first consider the expression of each array probe for samples assayed for both tissues (A) and calculate the between-tissue correlation in expression (B). We identify the subset of array probes with correlation $>$ 0.75 (shaded region in C) and calculate the correlation in gene expression for one sample in the first tissue and another sample in the second tissue, across these selected probes. This forms a similarity matrix (D), for which darker squares indicate greater similarity. Orange squares indicate missing values (samples assayed in one tissue but not the other). We then summarized the similarity between sample $i$ in tissue $s$ and sample $j$ in the other tissues by the median correlation across tissue pairs that include tissue $s$, $r^{s}_{ij}=\text{median}\\{r^{st}_{ij}:t\neq s\\}$. Of course, we considered only pairs of tissues $(s,t)$ for which sample $i$ was measured in tissue $s$ and sample $j$ was measured in tissue $t$. Sample mix-ups in tissue $s$ were identified as samples $i$ for which the self similarity, $r^{s}_{ii}$, was small, but for which there existed some array with high similarity: $\max_{j\neq i}r^{s}_{ij}$ is large. We then inferred the correct label for sample $i$ in tissue $s$ to be $\arg\max_{j\neq i}r^{s}_{ij}$. In other words, viewing $r^{s}_{ij}$ as a similarity matrix, we were looking for rows with a small value on the diagonal, but with some large off-diagonal element in that row. In order to ensure confidence in the relabeling of such samples, we compared the maximum value in the row to the second-highest value. To further investigate possible sample duplicates within a tissue, we considered the subset of probes with correlation $>$ 0.75 with at least one other tissue, and then calculated between-sample correlations, across the chosen subset of probes, within that tissue. Sample mix-ups in the DNA samples In our investigation of potential sample mix-ups in the DNA samples, we first calculated multipoint genotype probabilities at all markers and at pseudomarker positions between markers. The pseudomarker positions were placed at evenly spaced locations between markers, with a maximum spacing of 0.5 cM between adjacent markers or pseudomarkers. The multipoint genotype probabilities calculations were performed via a hidden Markov model (HMM), with an assumed genotyping error rate of 0.2% and with the Carter-Falconer map function (Carter and Falconer 1951). We first considered each tissue, individually, and identified the subset of probes with a strong local-eQTL. We considered all array probes with known genomic location and on an autosome, identified the nearest marker or pseudomarker to the location of the probe, and calculated a LOD score (log10 likelihood ratio) assessing the association between genotype at that location and the gene expression of that probe. The LOD score was calculated by Haley- Knott regression (Haley and Knott 1992), a quick approximation to standard interval mapping (Lander and Botstein 1989). Calculations were performed at a single location for each array probe, rather than with a scan of the genome. We chose the subset of probes with LOD $>$ 100. Continuing to focus on one tissue at a time, we considered the set of local- eQTL locations and the corresponding probe or probes. (Generally there was a single probe corresponding to a given eQTL location, but in a small number of instances for each tissue, there were a pair of probes at the same eQTL location; for islet, there were three eQTL with three corresponding probes, and for adipose there was one such trio.) For each eQTL position and for each mouse, we took the genotypes with maximal multipoint probability to be the observed eQTL genotype, provided that this exceeded 0.99; if no genotype had probability $>$ 0.99, the observed eQTL genotype was treated as missing. Considering each eQTL in a tissue individually, we then formed a $k$-nearest neighbor classifier, with $k=40$, for predicting eQTL genotype from the expression values for the corresponding probe or probes. For a given mouse, if more than 80% of the 40 nearest neighbors, by Euclidean distance, shared the same observed eQTL genotype, this was taken to be the inferred eQTL genotype for that mouse. If no more than 80% of the 40 nearest neighbors shared a common genotype, the inferred eQTL genotype was treated as missing. In order to filter out samples that were clearly incorrect and improve our classifiers, we then calculated the proportion of matches, for each sample, between the observed eQTL genotypes and the corresponding inferred eQTL genotypes, omitted samples for which the proportion of matches was $<$ 0.7, and rederived the $k$-nearest neighbor classifiers with the subset of samples deemed likely correct. As an illustration, consider the schematic in Figure 2: for each tissue, we identified a subset of array probes with strong local-eQTL, we derived classifiers for predicting eQTL genotype from the corresponding expression phenotypes, and then constructed a matrix of inferred eQTL genotypes. As a measure of similarity between a DNA sample and an mRNA sample, we calculated the proportion of matches between the observed eQTL genotypes for the DNA sample and the inferred eQTL genotypes for the mRNA sample. Figure 2: Scheme for evaluating the similarity between genotypes and expression arrays. We first identify a set of probes with strong local eQTL. For each such eQTL, we use the samples with both genotype and expression data (A) to form a classifier for predicting eQTL genotype from the expression value (B). We then compare the observed eQTL genotypes for one sample to the inferred eQTL genotypes, from the classifiers, for another sample (C). The proportion of matches, between the observed and inferred genotypes, forms a similarity matrix (D), for which darker squares indicate greater similarity. Orange squares indicate missing values (for example, samples with genotype data but no expression data). To combine the tissue-specific similarity measures across the six tissues, we simply took the overall proportion of matching genotypes, across all eQTL and across all tissues. As in the investigation of sample mix-ups within the expression arrays, we treated the proportions of matches between observed and inferred eQTL genotypes as a similarity matrix. Problem DNA samples were identified as rows for which the value on the diagonal (the self similarity) was small. In such rows, we inferred the correct label to be that of the maximal off-diagonal value, provided that this maximum was large and was well above the second- largest value. QTL analysis To characterize the improvement in results following correction of sample mix- ups, we performed QTL analysis with several traits of interest, including the expression traits in each tissue, with the original data and with the corrected data. In the corrected data, we omitted the DNA samples that could not be verified to be correct (that is, those with no corresponding gene expression data.) _Insulin:_ We first considered a clinical phenotype of considerable interest: 10 week plasma insulin. QTL analysis was performed by Haley-Knott regression (Haley and Knott 1992), with log insulin, and with sex included as an interactive covariate (that is, allowing the effects of QTL to be different in the two sexes). _Agouti and tufted coat:_ We considered two simple Mendelian traits: agouti coat color (due to a single gene on chromosome 2) and tufted coat (due to a single gene on chromosome 17). QTL analysis was performed treating each phenotype as a binary trait (Xu and Atchley 1996; Broman 2003). To handle possible marker genotyping errors at the causal loci, we took the observed genotypes to be those with maximal multipoint probability, provided that this exceeded 0.99; if no genotype had probability $>$ 0.99, the observed genotype was treated as missing. _eQTL analyses:_ We considered each of the six tissues individually, and focused on the subset of probes with known genomic location on an autosome or the X chromosome. For hypothalamus tissue, we omitted a batch of 119 poorly behaved arrays, though these had been included in our efforts to identify sample mix-ups. Expression measures were transformed to normal quantiles. That is, the expression measures were converted to ranks $R_{i}\in\\{1,\dots,n\\}$ and then transformed to $y_{i}=\Phi^{-1}[(R_{i}-0.5)/n]$, where $\Phi^{-1}$ is the inverse of the normal cumulative distribution function. QTL analysis was performed by Haley-Knott regressions with sex included as an interactive covariate. We considered the maximal peak for each array probe on each chromosome, and inferred the presence of a QTL if the LOD score exceeded 5, a 5% genome-wide significance level established by computer simulation. An inferred eQTL was considered a local-eQTL if the 2-LOD support interval contained the genomic location of the corresponding array probe; otherwise, it was considered a _trans_ -eQTL. Software All analyses were conducted with R (R Development Core Team 2013). QTL analyses were performed with the R package, R/qtl (Broman et al. 2003). Our methods for identifying sample mix-ups have been assembled as an R package, R/lineup, available at http://github.com/kbroman/lineup as well as The Comprehensive R Archive Network (CRAN; http://cran.r-project.org). Data availability The genotype and gene expression microarray data are available at the QTL Archive, now part of the Mouse Phenome Database: http://phenome.jax.org/db/q?rtn=projects/projdet&reqprojid=532 Results We first became aware of potential problems in the samples through the identification of six duplicate DNA samples and 32 mice whose X chromosome genotypes were incompatible with their sex. We genotyped 554 F2 mice at 2060 informative SNPs, including 20 on the X chromosome. Three samples were assigned “no call” at all markers and not considered further. Six pairs were seen to be duplicates, with over 98% genotype identity across typed markers (Table S1). The F2 mice were the offspring of F1 siblings derived by crossing BTBR females to B6 males (Figure S1). F2 females should be homozygous BTBR (RR) or heterozygous (BR) on the X chromosome; F2 males should be hemizygous B or R. (Note that homozygous and hemizygous genotypes could not be distinguished.) However, 19 females exhibited some homozygous B6 genotypes on the X, and 17 males exhibited some heterozygous genotypes (Figure S2). While four of these males had a single heterozygous genotype that was likely a genotyping error, the 19 females and the other 13 males were clearly indicated to have swapped sex. There were an additional 53 females and 50 males with homozygous RR or hemizygous R genotypes for all markers on the X chromosome, compatible with either sex. In cleaning the genotype data, we omitted a set of seven samples, including one pair of the sample duplicates, with poorly behaved data. (They showed a high rate of apparent genotyping errors, an unusually large proportion of homozygous genotypes, and an unusually large number of apparent crossovers.) For the other five pairs of duplicates, we omitted one sample from each pair. Sample mix-ups in the gene expression arrays For each of six tissues (adipose, gastroc, hypo, islet, kidney, liver), approximately 500 F2 mice were assayed for gene expression with two-color Agilent arrays with tissue-specific pools (Table S2). A small number of poorly behaved arrays were omitted. We later discovered a batch of 119 poorly behaved arrays for hypo, but these were included in the analyses described here. There were 527 mice assayed for at least one of the six tissues, but not all mice were assayed for all tissues. In particular, there were 27 mice assayed only for gene expression in kidney, and 43 mice assayed for all tissues except kidney. Further, 27 mice were genotyped but were not subject to gene expression analysis. To identify potential sample mix-ups among gene expression arrays, we first identified, for each pair of tissues, a subset of array probes with high between-tissue correlations. Consideration of all probes would greatly reduce the apparent correlation between arrays, due to the abundance of unexpressed genes. For example, for Mouse3567, the correlation between gene expression in kidney and in liver, across all 40,572 probes, is 0.32, while for the subset of 155 probes with correlation $>$ 0.75 between kidney and liver, the correlation is 0.78. (See Figure S3.) Figure S4 contains density estimates of the between-tissue correlations for all array probes. The densities are organized by tissue, with the panel for each tissue containing the five tissue pairs involving that tissue. There are some small differences among tissue pairs, but the vast majority of between- tissue correlations are between -0.25 and 0.50. Table S3 contains the numbers of probes for each pair of tissues with correlations exceeding 0.70, 0.75, 0.80, and 0.90, respectively. We focused on probes with correlations $>$ 0.75, of which there were between 46 and 200 probes per tissue pair. For each pair of tissues, we calculated the correlations among samples across the subset of correlated probes. For each tissue, we then summarized the similarity between each sample in that tissue and each sample in other tissues by the median correlations, across the tissue pairs that included the target tissue. Figure S5 contains histograms of the similarity measures for each tissue, separating the self-self similarities (the diagonal elements) and the self- nonself similarities (the off-diagonal elements). There are a number of clear outliers: small self-self similarities and large self-nonself similarities. The self-nonself similarities follow a bimodal distribution, with the lower mode corresponding to opposite-sex pairs and the upper mode corresponding to same-sex pairs. The chosen probes included a probe in _Xist_ (involved in X chromosome inactivation) and probes on the Y chromosome. To identify problem samples in each tissue, we considered for each sample, the self similarity vs. the maximum similarity (that is, the values on the diagonal of the similarity matrix and the maximum values in each row). These are displayed in Figure 3. Figure 3: Self similarity (median correlation across tissue pairs) versus maximum similarity for the expression arrays for each tissue. The diagonal gray line corresponds to equality. Green points are inferred to be sample mix- ups. Gray points correspond to arrays for which the self similarity is maximal. Red points correspond to special cases (see the text). There were 27 samples assayed only for kidney; these have missing self similarity values. The vast majority of samples in each tissue were indicated to be correctly labeled: the self similarity was the maximum similarity. But for each tissue, there were at least a few samples which were more like some other sample in the other tissues. In each case, we infer the correct label to be that with the maximal similarity. In Figure S6, we display the second-highest similarity vs. the maximum similarity for each sample in each tissue. The problem samples (colored green) are generally well away from the diagonal, indicating good support for our ability to infer the correct label. The red points in Figure 3 and Figure S6 are special cases: The Mouse3188 sample is highlighted as a potential problem in both islet and gastroc (being slightly off the diagonal line), but this is because that sample was involved in array swaps in two different tissues (adipose and hypo). This is the only sample indicated to be mislabeled in multiple tissues. We also highlight Mouse3484 in gastroc, which appeared to be a mixture (more on this below). The inferred errors are displayed in Figure 4. For adipose, we identified two problems. The samples for Mouse3583 and Mouse3584 were swapped, and there was a three-way swap among Mouse3187, Mouse3188, and Mouse3200, with the sample labeled Mouse3187 really being Mouse3188, that labeled Mouse3188 really being Mouse3200, and that labeled Mouse3200 really being Mouse3187. Figure 4: The mRNA sample mix-ups for the six tissues. Double-headed arrows indicate a sample swap. The trio of points in adipose corresponds to a three- way swap. The pink circles with a single-headed arrow, in islet and liver, are sample duplicates. The questionable case in kidney indicates a potential sample mixture arrayed twice. For gastroc, there was a single sample swap, between Mouse3655 and Mouse3659. For hypo, there were 9 pairs of sample swaps. For islet, the samples Mouse3598 and Mouse3599 were swapped, and the sample labeled Mouse3296 was really a duplicate (or _unintended technical replicate_) of the Mouse3295 sample. For liver, the sample labeled Mouse3142 really corresponded to Mouse3143 (Mouse3142 was not assayed for gene expression in liver), and the sample labeled Mouse3141 was really a duplicate of the Mouse3136 sample. For kidney, the samples for Mouse3510 and Mouse3523 were swapped, and Mouse3484 was also seen to be a problem. We believe that the samples for Mouse3484 and Mouse3503 may have been mixed and assayed twice in duplicate (more below). There were 27 samples that were assayed for gene expression only in kidney; for these, the self similarity cannot be calculated. We have limited ability to detect mix-ups for these samples, but none were very close to any sample in other tissues, and so they can, at least provisionally, be assumed to be correctly labeled. To further illustrate the sample swaps, Figure S7 contains scatter plots of the gastroc arrays labeled Mouse3655 and Mouse3659 against the arrays in the other tissues with those labels. For each pair of tissues, we plot the array probes with between-tissue correlation $>$ 0.75. Mouse3655 in gastroc is correlated with Mouse3659 in other tissues, while Mouse3659 in gastroc is correlated with Mouse3655 in other tissues, indicating a clear swap between these samples within gastroc. Figure S8 contains similar scatter plots for a pair of inferred duplicates, with the sample labeled Mouse3141 in liver really being a duplicate of the Mouse3136 liver sample. Mouse3136 liver and Mouse3141 liver are each correlated with Mouse3136 in other tissues and not with Mouse3141, and the two samples are extremely highly correlated with each other (see the two central panels in the bottom row). In Figure S9, we display the between-sample correlations for samples with these two labels, for all pairs of tissues, with the pairs including liver highlighted in red. The Mouse3136 samples are correlated for all tissue pairs; the Mouse3141 samples are correlated for all tissue pairs not involving liver, and the Mouse3141 liver sample is correlated with all Mouse3136 samples in other tissues. The Mouse3484 and Mouse3503 samples in kidney appear to be sample duplicates, but these samples are correlated with each of Mouse3484 and Mouse3503 in the other tissues. We’re inclined to believe that the two kidney samples were mixed and arrayed in duplicate, but we are not able to prove this point. Figure S10 contains scatter plots for the two samples in kidney vs. all tissues; the central panels in the second row from the bottom indicate that the two samples are highly correlated and so likely replicates, but all scatter plots here show strong correlation. Figure S11 contains the between- sample correlations for both sample labels in all tissue pairs; contrast this with Figure S9, for the simple duplicate in liver. Mouse3484 kidney and Mouse3503 kidney are strongly correlated with both samples in the other tissues, but not so strongly as Mouse3484 and Mouse3503 are with themselves in the non-kidney pairs. And for tissue pairs not including kidney, Mouse3484 and Mouse3503 are much more weakly correlated. As we were unable to resolve the problems with Mouse3484 and Mouse3503 in kidney, these two arrays were omitted from later analyses. The two simple sample duplicates, one in islet and one in liver, were combined and assigned the correct label. The other sample mix-ups were relabeled as inferred in Figure 4. Expression of the _Xist_ gene (involved in X chromosome inactivation and so highly expressed in females but not males) and of genes on the Y chromosome is a useful diagnostic for the sex of an mRNA sample. In Figure S12, we display, for each tissue, the average expression across for Y chromosome genes vs. the expression of _Xist_ , with the original data and after correction of the sample mix-ups in the expression arrays. Just three of the sample-swaps (one in gastroc and two in hypo) involved opposite-sex pairs. These show up clearly in the left column, with the original data, and are resolved after correction of the sample mix-ups. The unusual pattern of expression in hypo, with a bimodal distribution for the Y chromosome genes in males and a large number of females with relatively low _Xist_ expression, was due to a set of 119 poorly behaved arrays. Sample mix-ups in the genotypes Having corrected the sample mix-ups among the gene expression arrays, we turned to potential problems in the genotypes. For each tissue, we considered the 36,364 autosomal array probes with known genomic location and identified those with a strong local-eQTL, having LOD score $>$ 100 for the association between the probe expression measures and genotype at the corresponding location. For each such probe, we created a $k$-nearest neighbor classifier (with k=40), for predicting eQTL genotype from the expression phenotype. For example, in Figure 5, we display the expression, in islet, of probe 499541 (on chromosome 1) vs. genotype at the nearest marker. At this probe, there are three clear groups of mice, with B6 homozygotes B6 (BB) having high expression, BTBR homozygotes (RR) having low expression, and heterozygotes (BR) intermediate. There are a number of mice whose expression does not match their observed eQTL genotype; the classifier infers a different eQTL genotype. The points highlighted in pink have expression at the boundary between the BB and BR groups and are left unassigned. (To assign an inferred eQTL genotype to a point, we required that 80% of the nearest neighbors had a common eQTL genotype.) Figure 5: Plot of islet expression vs observed genotype for an example probe. Points are colored by the inferred genotype, based on a k-nearest neighbor classifier, with yellow, green, and blue corresponding to BB, BR, and RR, respectively, where B = B6 and R = BTBR. Salmon-colored points lie at the boundary between two clusters and were not assigned. For sets of probes mapping to approximately the same genomic location, we considered the probes’ expression jointly. Examples of pairs of probes mapping to the same location are shown in Figure S13, with points colored by observed eQTL genotype. We considered 45–115 eQTL per tissue; their locations on the genetic map of markers is shown in Figure S14. The majority of eQTL had a single corresponding probe. There were 3–14 eQTL per tissue with a pair of corresponding probes. For islet, there were three eQTL with three corresponding probes, and for adipose there was one such trio. For each tissue, we calculated the proportion of matches between the observed eQTL genotypes for each DNA sample and the inferred eQTL genotypes from each mRNA sample, as a measure of similarity between the DNA and mRNA samples. We further calculated a combined measure of similarity as the overall proportion of mismatches, pooling all six tissues. Figure S15 contains histograms of the similarity measures for each tissue, separating the self-self similarities (the diagonal elements) and the self- nonself similarities (the off-diagonal elements). There are a number of clear outliers: small self-self similarities and large self-nonself similarities. To identify problem DNA samples, we again considered the self similarity vs. the maximum similarity (that is, the values on the diagonal of the similarity matrix vs. the maximum values in each row). Figure 6 contains a scatterplot of these values. Gray points, with maximum similarity equal to the self similarity, are inferred to be corrected labeled. Green points, with small self similarity but large maximum similarity, are inferred to be incorrect, but are fixable. Red points concern DNA samples for which no corresponding mRNA sample can be found. Figure 6: Self similarity (proportion matches between observed and inferred eQTL genotypes, combined across tissues) versus maximum similarity for the DNA samples. The diagonal gray line corresponds to equality. Samples with missing self similarity (at bottom) were not intended to have expression assays performed. Gray points correspond to DNA samples that were correctly labeled. Green points correspond to sample mix-ups that are fixable (the correct label can be determined). Red points comprise both samples mix-ups that cannot be corrected as well as samples that may be correct but cannot be verified as no expression data is available. Detailed results for the six tissues, with tissue-specific similarity values, are shown in Figure S16. The points are colored as in Figure 6, based on the combined similarity measure. The points with missing self similarity (at the bottom of each panel) were not intended to be assayed for gene expression in that tissue. The tissue-specific results are concordant with the overall conclusions, with two caveats. First, there are a number of green points (corresponding to mislabeled, but fixable, DNA samples), with low maximum similarity in each tissue. These correspond to samples for which gene expression assays were not performed for that tissue, the bulk of which are for the 27 samples that were assayed only for gene expression in kidney and the 43 samples that were assayed for all tissues except kidney. Second, for hypo, the strength of eQTL associations were weaker, and fewer eQTL were considered, than for the other tissues, and so there is less separation between the green and pink points. In Figure S17, we display the second-highest similarity vs. the maximum similarity, for the combined similarity measures accounting for all tissues. The fixable mis-labeled samples (in green) are all well away from the diagonal, indicating good support for our ability to infer the correct label. The inferred mix-ups among the DNA samples are displayed in Figure 7 according to the arrangement of the samples on the 96-well genotyping plates. Black dots indicate that the correct DNA sample was placed in the correct well. The blue arrows point from the well in which a DNA sample was supposed to be placed, to the well where it was actually placed. For example, on plate 1631, the sample in well D02 was placed in the correct well but was also placed in well B03. The sample that belonged in B03 was placed in B04, the sample that belonged in B04 was placed in E03, and the sample belonging in E03 was not found (but, as indicated by the green arrowhead, there was no corresponding gene expression data). Figure 7: The DNA sample mix-ups on the seven 96-well plates used for genotyping. Black dots indicate that the correct DNA was put in the well. Blue arrows point from where a sample should have been placed to where it was actually placed; the different shades of blue convey no meaning. Red X’s indicate DNA samples that were omitted. Orange arrowheads indicate wells with incorrect samples, but the sample placed there is of unknown origin. Purple and green arrow-heads indicate cases where the sample placed in the well was incorrect, but the DNA that was supposed to be there was not found; with the purple cases, there was corresponding gene expression data, while for the green cases, there was no corresponding gene expression data. Pink circles (e.g., well D02 on plate 1631) indicate sample duplicates. Gray dots indicate that the sample placed in the well cannot be verified, as there was no corresponding gene expression data. Gray circles indicate controls or unused wells. While there were many long-range sample swaps, particularly for samples belonging in the eleventh column of plate 1629, the bulk of the errors occurred on plates 1632 and 1630, with a long series of off-by-one and off-by- two errors indicative of single-channel pipetting mistakes. Let us describe a small portion of the further errors. On plate 1632, the sample belonging in well E07 was placed in the correct well but was also placed in the well below, F07. The sample belonging in well F07 was not found but had no corresponding gene expression data. The sample placed in well G07 was incorrect but had no corresponding gene expression data, and so presumably corresponds to that which should have been in the well above, F07. The sample belonging in well G07 was placed one below, H07. There are then a series of off-by-one errors, except that the sample belonging in well C09 was actually placed in well G01, while the sample belonging in well D09 was placed in both well E01 and on plate 1629 (well C11). Of the 554 DNA samples that were genotyped, 10 were omitted due to poorly behaved genotypes (including a pair of replicates), 435 were found to be correctly labeled, and 8 were possibly correct but could not be verified due to lack of gene expression assays. However, 5 samples were duplicates of other samples, 84 were incorrectly labeled but the correct label could be assigned, and 12 were incorrectly labeled and the correct label could not be identified. Thus, at least 18% of the samples were involved in sample mix-ups. We had initially become suspicious of possible sample mix-ups through the identification of 36 mice whose X chromosome genotypes were inconsistent with their sex. After correction of the sample mix-ups, there were no such discrepancies. Only a small portion of the problems were identified through such sex/genotype incompatibilities, because the majority of sample mix-ups were off-by-one errors in the genotype plates, and the samples were arranged on the plates so that adjacent samples were often the same sex. The large discrepancies between expression and eQTL genotype seen in Figure 5 and Figure S13 are largely eliminated following correction of the inferred sample mix-ups. Figure S18 shows the same examples, but with the corrected data. Panels A-D of Figure S18 correspond to the panels in Figure S13; the genotypes are now more clearly separated, though some overlap remains and there are a few outliers (most notably, in Figure S18B). Panel E of Figure S18 corresponds to Figure 5; following correction of the sample mix-ups, there is no overlap between the three genotype groups. QTL mapping results It should come as no surprise that the correction of the sample mix-ups, particularly the 18% mix-ups in the DNA samples, leads to great improvement in QTL mapping results. Figure 8 contains LOD curves for 10 week insulin level with the original and corrected datasets. With the original data, four chromosomes had LOD score $>$ 4; after correction of the sample mix-ups, nine chromosomes have LOD score $>$ 4. Figure 8: LOD curves for 10 week insulin level, before (salmon color) and after (blue) correction of the sample mix-ups. Two coat-related traits were recorded for the F2 mice: agouti and tufted coats. Concerning agouti coat: BTBR mice have tan coats, while B6 mice are black; this is due to a gene on chromosome 2, and the BTBR allele is dominant. Mapping the agouti coat color as a binary phenotype, the LOD score on chromosome 2 increased from 64 to 110 after correction of the sample mix-ups (Figure S19A). While the corrected data still contained inconsistencies between genotype and coat color, the number of inconsistencies decreased from 47 to 7 (Table S4). Tufted coat is due to a single gene on chromosome 17, with the BTBR allele (with the tufted phenotype) being recessive to the B6 allele (not tufted). Mapping this phenotype as a binary trait, the LOD score on chromosome 17 increased from 64 to 107 after correction of the sample mix-ups (Figure S19B). While, as with agouti, the corrected data still contained inconsistencies between genotype and phenotype, the number of inconsistencies decreased from 37 to 4 (Table S5). Finally the corrected data resulted in a great increase in the numbers of inferred eQTL in the six tissues (Figure 9). For each array probe with know genomic position, we performed a genome scan, including sex as an interactive covariate (that is, allowing the QTL effect to be different in the two sexes). For each array probe, we counted the number of chromosomes have a peak LOD score above 5. Such a peak, on the chromosome containing the probe, was considered a local-eQTL if the 2-LOD support interval contained the probe location; other peaks were called _trans_ -eQTL. The inferred number of local- eQTL increased by 7% across tissues (with a somewhat smaller increase in hypo). The inferred number of _trans_ -eQTL increased by 37% across tissues (though only by 8% in hypo). The modest increases in hypo were due in part to the omission of 119 poorly behaved arrays. The increased numbers of inferred eQTL is also seen with more stringent thresholds; the numbers of eQTL with LOD $\geq$ 10 are shown in Figure S20. Figure 9: Numbers of identified local- and _trans_ -eQTL with LOD $\geq$ 5, with the original data (red) and after correction of the sample mix-ups (blue), across 37,797 array probes with known genomic location. An eQTL was considered local if the 2-LOD support interval contained the corresponding probe; otherwise it was considered _trans_. Discussion In a mouse intercross with over 500 animals and gene expression microarray data on six tissues, we identified and corrected sample mix-ups involving 18% of the DNAs, along with a small number of mix-ups in each batch of expression arrays. The QTL mapping results improved markedly following the correction of mix-ups, but it was perhaps most surprising just how strong the results were prior to the corrections. To align the expression arrays, we first identified subsets of genes with strong between-tissue correlation in expression, and then considered the correlations between samples across these subsets of genes. To align genotypes and expression arrays, we identified transcripts with strong local-eQTL, formed predictors of eQTL genotype from expression values, and calculated the proportion of matches between the observed eQTL genotypes for a DNA sample and the predicted eQTL genotypes for an mRNA sample. This approach applies quite generally: Whenever one has two data matrices, $X$ and $Y$, whose rows should correspond, one should check that the rows do in fact correspond. The simplest approach is to first identify subsets of associated columns (in which a column of $X$ is associated with a column of $Y$) and then calculate some measure of similarity between rows of $X$ and rows of $Y$, across that subset of columns. Similar approaches have been described by a number of groups. Westra et al. (2011) considered a number of public datasets and found an overall rate of 3% sample mix-ups, with one dataset (Choy et al. 2008) having 23% mix-ups. Schadt et al. (2012) showed that, with the tight connection between genotypes and gene expression phenotypes, external eQTL information can, in principle, be used to identify individuals participating in a gene expression study: Genome- wide gene expression is just as revealing of individual identities as genome- wide genotype data. Lynch et al. (2012) highlighted issues arising in large tumor studies and focused particularly on a number of experimental design issues, such as plate layout. Ekstrøm and Feenstra (2012) considered the identification of sample mix-ups in genome-wide association studies, focusing on a small number of phenotypes, such as blood group data, with strong genotype-phenotype associations. Also relevant is the forensic bioinformatics work of Baggerly and Coombes (2008, 2009), particularly their efforts to correct mix-ups in data files. Finally, Jun et al. (2012) recently described methods for detecting mixtures in DNA samples based on genotype or sequencing data, and there is considerable work on detecting mislabeled microarrays (e.g., Zhang et al. 2009; Bootkrajang and Kabán 2013). There are a number of opportunities for improvement in our approach. In particular, a number of critical parameters (such as the LOD score for choosing eQTL, and the number of nearest neighbors and the minimum vote in the $k$-nearest neighbor classifier) were chosen in an _ad hoc_ way. The choice of such parameters influences the variation within and the separation between the self-self and self-nonself distributions of similarity measures, and thus our ability to identify errors. In addition, other classification methods might be used, though the $k$-nearest neighbor classifier has an important advantage: It works well even in the presence of mis-classification error in the “training” data. Perhaps the most important lesson from this work is the value of investigating aberrations. One should follow up any observed inconsistencies in data, to identify the source. In particular, one should not rely solely on LOD scores or other summary statistics, but also inspect plots of genotype versus phenotype, such as that in Figure 5. Of course, there are many possible errors that we couldn’t see by these approaches. For example, all of the tissues (including the DNA) for a pair of animals might be swapped, or there may be mix-ups within the clinical phenotypes (such as plasma insulin levels). And some mix-ups are detectable but not correctable. We have not identified any between-tissue mix-ups in the expression data, but such errors are possible. For that type of error, it may be useful to consider the gene expression bar code developed by Zilliox and Irizarry (2007). The correction of inferred sample mix-ups, as we have done, may introduce bias towards larger estimated eQTL effects. We believe that, in the current study, there is little risk of such bias, as the data provide strong evidence for specific sample labels. If the correction of sample mix-ups were accompanied by a higher level of uncertainty, one might consider omitting samples rather than assigning the inferred labels, though such an approach could also incur some bias. Finally, one might ask, following these findings: What is an acceptable error rate in a research study? And what laboratory procedures should be instituted to avoid such errors? There exist procedures to help protect against errors, both for genotypes (e.g., Huijsmans et al. 2007a, b) and for microarrays (Grant et al. 2003; Imbeaud and Auffray 2005; Walter et al. 2010), but they are not always put into practice. However, as the current study indicates, with expression genetic data, one can accommodate a high rate of errors provided that one applies appropriate procedures to detect and correct such errors. Acknowledgments The authors thank Angie Oler, Mary Rabaglia, Kathryn Schueler, and Donald Stapleton for their work on the underlying project, and Amit Kulkarni for providing annotation information for the expression microarrays. This work was supported in part by National Institutes of Health grants GM074244 (to K.W.B.) and DK066369 (to A.D.A). ## Literature Cited * Baggerly and Coombes (2008) Baggerly, K. A., and K. R. Coombes, 2008 Run batch effects potentially compromise the usefulness of genomic signatures for ovarian cancer. J. Clin. Oncol. 26: 1186–1187. * Baggerly and Coombes (2009) Baggerly, K. A., and K. R. Coombes, 2009 Deriving chemosensitivity from cell lines: Forensic bioinformatics and reproducible research in high-throughput biology. Ann. Appl. 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PLoS ONE 7: e41815. * R Development Core Team (2013) R Development Core Team, 2013 R: A Language and Environment for Statistical Computing. R Foundation for Statistical Computing, Vienna, Austria. * Schadt et al. (2012) Schadt, E. E., S. Woo, and K. Hao, 2012 Bayesian method to predict individual SNP genotypes from gene expression data. Nat. Genet. 44: 603–608. * Walter et al. (2010) Walter, M., A. Honegger, R. Schweizer, S. Poths, and M. Bonin, 2010 Utilization of AFFX spike-in control probes to monitor sample identity throughout Affymetrix GeneChip Array processing. BioTechniques 48: 371–378. * Westra et al. (2011) Westra, H.-J., R. C. Jansen, R. S. N. Fehrmann, G. J. te Meerman, D. van Heel et al., 2011 MixupMapper: correcting sample mix-ups in genome-wide datasets increases power to detect small genetic effects. Bioinformatics 27: 2104–2111. * Xu and Atchley (1996) Xu, S., and W. R. Atchley, 1996 Mapping quantitative trait loci for complex binary diseases using line crosses. Genetics 143: 1417–1424. * Zhang et al. (2009) Zhang, C., C. Wu, E. Blanzieri, Y. Zhou, Y. Wang et al., 2009 Methods for labeling error detection in microarrays based on the effect of data perturbation on the regression model. Bioinformatics 25: 2708–2714. * Zilliox and Irizarry (2007) Zilliox, M. J., and R. A. Irizarry, 2007 A gene expression bar code for microarray data. Nat. Methods 4: 911–913. Identification and correction of sample mix-ups in expression genetic data: A case study SUPPLEMENT Karl W. Broman∗, Mark P. Keller†, Aimee Teo Broman∗, Christina Kendziorski∗, Brian S Yandell‡,§, Śaunak Sen∗∗, Alan D. Attie† ∗Department of Biostatistics and Medical Informatics, †Department of Biochemistry, ‡Department of Statistics, and §Department of Horticulture, University of Wisconsin–Madison, Madison, Wisconsin 53706, and ∗∗Department of Epidemiology and Biostatistics, University of California, San Francisco, California 94107 Figure S1: The behavior of the X chromosome in the intercross (BTBR $\times$ B6) $\times$ (BTBR $\times$ B6). In the F2 generation, females are homozygous BTBR or heterozygous, while males are hemizygous BTBR or B6. The small bar is the Y chromosome. Figure S2: X chromosome genotypes for 19 female mice and 17 male mice with genotypes that are incompatible with their sex. Females should be homozygous BTBR (RR, blue) or heterozygous (green). Males should be hemizygous B6 (BY, yellow) or hemizygous BTBR (RY, blue). The top four males have a single incompatibility that could reasonably be a genotyping error. Figure S3: Example scatterplot of gene expression in liver versus kidney for a single individual (Mouse3567). Gray points are all probes on the array; red points are the 155 probes with correlation across mice $>$ 0.75 between liver and kidney. Figure S4: Density estimates of the between-tissue correlations for all probes on the expression arrays. In each panel, the distributions for the five pairs of tissues, including a given tissue, are displayed. Figure S5: Histograms of similarity measures for the expression arrays for each tissue, versus all other tissues combined. The panels on the left include self-self similarities (along the diagonal of the similarity matrices); the panels on the right include all self-nonself similarities (the off-diagonal elements of the similarity matrices). Self-self values $<$ 0.8 and self- nonself values $>$ 0.8 are highlighted with red tick marks. The two modes in the self-nonself distributions are for opposite-sex and same-sex pairs. Figure S6: Second highest similarity (median correlation across tissue pairs) versus maximum similarity for the expression arrays for each tissue. The diagonal gray line corresponds to equality. Green points correspond to arrays inferred to be sample mix-ups. Gray points correspond to arrays for which the self similarity is maximal. Red points correspond to special cases, as in Figure 1 (see the text). Figure S7: Scatterplots for expression in pairs of tissues for an inferred sample swap, between Mouse3655 and Mouse3659 in gastroc. Figure S8: Scatterplots for expression in pairs of tissues for an inferred sample duplicate, with Mouse3136 in liver also arrayed as Mouse3141 liver. In the bottom row, the panels with gray points are identical data, and the panels with red points are the unintended duplicates. Figure S9: Between-tissue correlations for pairs of tissues for an inferred sample duplicate, with Mouse3141 in liver really being a duplicate of Mouse3136 in liver. Correlations are calculated using tissue-pair-specific probes that show between-tissue correlation, across all mice, of $>$ 0.75. Tissue pairs are abbreviated by the first letter of the tissues’ names. Red points involve Mouse3136 liver, green points involve Mouse3141 liver, and the purple point involves both. Figure S10: Scatterplots for expression in pairs of tissues for a potential sample mixture, of Mouse3484 and Mouse3503 in kidney. In the second from the bottom row, the panels with gray points are identical data, and the panels with red points are the unintended duplicates. Figure S11: Between-tissue correlations for pairs of tissues for a potential sample mixture, of Mouse3484 and Mouse3503 in kidney. Correlations are calculated using tissue-pair-specific probes that show between-tissue correlation, across all mice, of $>$ 0.75. Tissue pairs are abbreviated by the first letter of the tissues’ names. Red points involve Mouse3484 kidney, green points involve Mouse3503 kidney, and the purple point involves both. Figure S12: Scatterplots of the average expression for four Y chromosome genes versus expression of the _Xist_ gene in each tissue, before and after correction of sample mix-ups. Females are in red; males are in blue. The unusual pattern in hypothalamus is due to a batch of 120 poorly behaved arrays. Figure S13: Example scatterplots of islet expression for pairs of probes at the same genomic location. Figure S14: Positions of local eQTL used for the aligning the expression arrays and genotype data. Marker locations are indicated by horizontal line segments on the genetic map. The points to the right of each chromosome indicate the eQTL locations, with different colors for different tissues. Figure S15: Histograms of similarities between the genotypes and the expression arrays (the proportion of matches between observed and inferred eQTL genotypes) for each tissue. The panels on the left include self-self similarities (along the diagonal of the similarity matrices); the panels on the right include all self-nonself similarities (the off-diagonal elements of the similarity matrices). Self-self values $<$ 0.8 and self-nonself values $>$ 0.8 are highlighted with red tick marks. Figure S16: Self similarity (proportion matches between observed and inferred eQTL genotypes, considering each tissue separately) versus maximum similarity for the DNA samples. The diagonal gray line corresponds to equality. Samples with missing self similarity (at top) did not have an expression assay performed for that tissue. Points are colored based on the inferred status of the corresponding samples based on the combined information from all tissues. Gray points correspond to DNA samples that were correctly labeled. Green points correspond to sample mix-ups that are fixable (the correct label can be determined). Red points comprise both samples mix-ups that cannot be corrected as well as samples that may be correct but cannot be verified as no expression data is available. Figure S17: Second highest similarity (proportion matches between observed and inferred eQTL genotypes, combined across tissues) versus maximum similarity for the DNA samples. The diagonal gray line corresponds to equality. Gray points correspond to DNA samples that were correctly labeled. Green points correspond to sample mix-ups that are fixable (the correct label can be determined). Red points comprise both samples mix-ups that cannot be corrected as well as samples that may be correct but cannot be verified as no expression data is available. Figure S18: Panels A-D contain the example scatterplots of islet expression for pairs of probes at the same genomic location, as in Figure S13, following correction of the sample mix-ups. Panel E contains the plot of islet expression vs observed genotype for an example probe, as in Figure 5, following correction of the sample mix-ups. Figure S19: LOD curves for agouti (A) and tufted (B) coat traits with the original data (red) and after correction of the sample mix-ups (blue). Figure S20: Numbers of identified local- and _trans_ -eQTL with LOD $\geq$ 10, with the original data (red) and after correction of the sample mix-ups (blue), across 37,797 array probes with known genomic location. An eQTL was considered local if the 2-LOD support interval contained the corresponding probe; otherwise it was considered _trans_. Table S1: Duplicate DNA samples Mouse 1 | Mouse 2 | No. matches | No. typed markers | % mismatches ---|---|---|---|--- Mouse3259 | Mouse3269 | 2017 | 2022 | 0.2 Mouse3267 | Mouse3362 | 1933 | 1966 | 1.7 Mouse3287 | Mouse3290 | 2012 | 2016 | 0.2 Mouse3317 | Mouse3318 | 1964 | 1996 | 1.6 Mouse3353 | Mouse3354 | 2026 | 2031 | 0.2 Mouse3553 | Mouse3559 | 1998 | 2008 | 0.5 Table S2: Numbers of gene expression arrays Tissue | # arrays | # omitted | # kept ---|---|---|--- adipose | 497 | 4 | 493 gastroc | 498 | 2 | 496 hypo | 494 | 1 | 493 islet | 499 | 1 | 498 kidney | 482 | 1 | 481 liver | 491 | 1 | 490 Table S3: Numbers of probes, for each tissue pair, with large between-tissue correlation Tissue 1 | Tissue 2 | corr $>$ 0.70 | corr $>$ 0.75 | corr $>$ 0.80 | corr $>$ 0.90 ---|---|---|---|---|--- adipose | gastroc | 199 | 143 | 99 | 30 adipose | hypo | 110 | 72 | 50 | 7 adipose | islet | 216 | 159 | 106 | 38 adipose | kidney | 255 | 186 | 135 | 51 adipose | liver | 159 | 113 | 79 | 19 gastroc | hypo | 79 | 55 | 43 | 10 gastroc | islet | 180 | 132 | 92 | 33 gastroc | kidney | 219 | 164 | 109 | 43 gastroc | liver | 149 | 102 | 71 | 23 hypo | islet | 127 | 82 | 57 | 10 hypo | kidney | 131 | 92 | 60 | 17 hypo | liver | 63 | 46 | 33 | 6 islet | kidney | 269 | 200 | 146 | 42 islet | liver | 152 | 97 | 64 | 24 kidney | liver | 245 | 155 | 106 | 30 Table S4: Genotype versus phenotype at the agouti locus | | Original | | Corrected ---|---|---|---|--- | | Coat color | | Coat color Chr 2 genotype | | Tan | Black | | Tan | Black BB | | 26 | 114 | | 5 | 126 BR | | 249 | 15 | | 255 | 2 RR | | 88 | 6 | | 92 | 0 B = B6 allele; R = BTBR allele Table S5: Genotype versus phenotype at the tufted locus | | Original | | Corrected ---|---|---|---|--- | | Tufted coat | | Tufted coat Chr 17 genotype | | No | Yes | | No | Yes BB | | 151 | 7 | | 153 | 0 BR | | 258 | 9 | | 256 | 0 RR | | 21 | 92 | | 4 | 106 B = B6 allele; R = BTBR allele
arxiv-papers
2014-02-11T20:25:43
2024-09-04T02:49:58.105336
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/4.0/", "authors": "Karl W. Broman, Mark P. Keller, Aimee Teo Broman, Christina\n Kendziorski, Brian S. Yandell, Saunak Sen, Alan D. Attie", "submitter": "Karl Broman", "url": "https://arxiv.org/abs/1402.2633" }
1402.2660
# An isometrically universal Banach space with a monotone Schauder basis Joanna Garbulińska-Wȩgrzyn Institute of Mathematics, Jan Kochanowski University (POLAND) Faculty of Mathematics and Computer Science, Jagiellonian University (POLAND) [email protected] ###### Abstract We present an isometric version of the complementably universal Banach space $\mathcal{B}$ with a monotone Schauder basis. The space $\mathcal{B}$ is isomorphic to Pełczyński’s space with a universal basis as well as to Kadec’ complementably universal space with the bounded approximation property. MSC (2010) Primary: 46B04. Secondary: 46M15, 46M40. Keywords: Monotone Schauder basis, linear isometry. ## 1 Introduction A Banach space $X$ is _complementably universal_ for a given class of spaces if every space from the class is isomorphic to a complemented subspace of $X$. In 1969 Pełczyński [10] constructed a complementably universal Banach space with a Schauder basis. In 1971 Kadec [4] constructed a complementably universal Banach space for the class of spaces with the _bounded approximation property_ (BAP). In the same year Pełczyński [8] showed that every Banach space with BAP is complemented in a space with a basis. Pełczyński & Wojtaszczyk [11] constructed in 1971 a universal Banach space for the class of spaces with a finite-dimensional decomposition. Applying Pełczyński’s decomposition argument [9], one immediately concludes that all three spaces are isomorphic. It is worth mentioning a negative result of Johnson & Szankowski [3] saying that no separable Banach space can be complementably universal for the class of all separable spaces. The author in [2] presented a natural extension property that describes an isometric version of the Kadec- Pełczyński-Wojtaszczyk space. The constructed space is unique, up to isometry, for the class of Banach spaces with finite-dimensional decomposition and isomorphic to the Kadec-Pełczyński-Wojtaszczyk space. In this note we present an isometric version of the complementably universal Banach space with a monotone Schauder basis. Most of the arguments are inspired by the recent works [2], [6] and [7]. ## 2 Preliminaries A _projectional resolution of the identity_ (briefly: _PRI_) on a Banach space $X$ is a sequence of norm-one projections $\\{P_{n}\\}_{n\in\omega}$ of $X$ satysfying following conditions: 1. (1) $P_{n}\circ P_{m}=P_{min\\{n,m\\}}=P_{m}\circ P_{n}$ for every $n,m\in\omega$; 2. (2) $\operatorname{dim}(P_{n}[X])=n$; 3. (3) $X=\operatorname{cl}\bigcup_{n\in\omega}P_{n}[X]$. A _Schauder basis_ is a sequence $\\{e_{n}\\}_{n\in\omega}$ of vectors in a Banach space $X$ such that for every $x\in X$ there are uniquely determined scalars $\\{a_{n}\\}_{n\in\omega}$ such that $x=\sum_{n=0}^{\infty}a_{n}e_{n},$ where the convergence of the series is taken with respect to the norm. Once this happen, for each $n\in\omega$ there is a cannonical projection $P_{n}$ defined by $P_{n}(\sum_{i\in\omega}a_{i}e_{i})=\sum_{i<n}a_{i}e_{i}.$ A Banach space $X$ has a _monotone Schauder basis_ if and only if it has a PRI $\\{P_{n}\\}_{n\in\omega}$. On the other hand, the basis is _monotone_ if $\|P_{n}\|\leq 1$ for every $n\in\omega$. Recall that a Banach space $X$ is _1-complemented_ in $Y$ if there exists a projection $P:Y\to X$ such that $\|P\|\leq 1$ and $P[Y]=X$. Given Banach spaces $Y\subseteq X$, we say that $Y$ is an _initial subspace_ of $X$ if there is a sequence of norm-one projections $\\{P_{n}\\}_{n\in\omega}$ satysfying conditions (1), (3) and 1. $1^{\circ}$ for each $n\in\omega$ the image $P_{n+1}-P_{n}$ is 1-dimensional, 2. $2^{\circ}$ $X=P_{0}[Y]$. Typical examples of initial subspaces are linear spans of initial parts of a Schauder basis. Note that, an initial subspace is 1-complemented and the trivial space is initial in $Y$ if and only if $Y$ has a monotone Schauder basis. Given a Schauder basis $\\{e_{n}\\}_{n\in\omega}$ in $X$, given a subset $S\subset\omega$, we say that $\\{e_{n}\\}_{n\in S}$ is a _cannonically 1-complemented subbasis_ if the linear operator $P_{S}:X\to X$ defined by conditions $P_{S}e_{n}=e_{n}$ for $n\in S$, $P_{S}e_{n}=0$ for $n\notin S$, has norm $\leq$ 1. Finally, we say that a basis $\\{v_{n}\\}_{n\in\omega}$ is _isometric_ to a subbasis of $\\{e_{m}\\}_{m\in\omega}$ if there is an increasing function $\varphi:S\to\omega$ such that the linear operator $f$ defined by equations $f(v_{n})=e_{\varphi(n)}$ ($S\subseteq\omega$) is a linear isometric embedding. Every finite-dimensional Banach space $E$ is isometric to $\mathbb{R}^{n}$ with some norm $\|\cdot\|$. We shall say that $E$ is _rational_ if $E=\mathbb{R}^{n}$ with a norm such that its unit ball is a polyhedron spanned by finitely many vectors whose every coordinate is a rational number. Equivalently, $X$ is rational if, up to isometry, $X=\mathbb{R}^{n}$ with a “maximum norm" $\|\cdot\|$ induced by finitely many functionals $\varphi_{0},\dots,\varphi_{m-1}$ such that $\varphi_{i}[\mathbb{Q}^{n}]\subseteq\mathbb{Q}$ for every $i<m$. More precisely, $\|x\|=\max_{i<m}{\mid\varphi_{i}(x)\mid}$ for $x\in\mathbb{R}^{n}$. Typical examples of rational Banach spaces are $\ell_{1}(n)$ and $\ell_{\infty}(n)$, the $n$-dimensional variants of $\ell_{1}$ and $\ell_{\infty}$, respectively. On the other hand, for $1<p<\infty$, $n>1$, the spaces $\ell_{p}(n)$ are not rational. Of course, every rational Banach space is polyhedral. An operator $T:{\mathbb{R}^{n}\to\mathbb{R}^{m}}$ is _rational_ if $T[\mathbb{Q}^{n}]\subseteq\mathbb{Q}^{m}$. It is clear that there are (up to isometry) only countably many rational Banach spaces and for every $\varepsilon>0$, every finite-dimensional space has an $\varepsilon$-isometry onto some rational Banach space. Let $X$ is a set. A convex hull is the minimal convex set containing $X$. Let $\mathfrak{K}$ be a category and $A,B\in\mathfrak{K}$. By $\mathfrak{K}(A,B)$ we will denote the set of all $\mathfrak{K}$-morphisms from $A$ to $B$. A _subcategory_ of $\mathfrak{K}$ is a category $\mathfrak{L}$ such that each object of $\mathfrak{L}$ is an object of $\mathfrak{K}$ and each arrow of $\mathfrak{L}$ is an arrow of $\mathfrak{K}$. Category $\mathfrak{L}$ is _cofinal_ in $\mathfrak{K}$ if for every $A\in\mathfrak{K}$ there exist an object $B\in\mathfrak{L}$ such that the set $\mathfrak{K}(A,B)$ is nonempty. Let $\mathfrak{K}$ be a category. $\mathfrak{K}$ has the amalgamation property if for every objects $A,B,C\in\mathfrak{K}$ and for every morphisms $f\in\mathfrak{K}(A,B)$, $g\in\mathfrak{K}(A,C)$ we can find object $D\in\mathfrak{K}$ and morphisms $f^{\prime}\in\mathfrak{K}(B,D)$, $g^{\prime}\in\mathfrak{K}(C,D)$ such that $f^{\prime}\circ f=g^{\prime}\circ g$. Category $\mathfrak{K}$ has the _joint embedding property_ if for every objects $A,B\in\mathfrak{K}$ we can find some object $C\in\mathfrak{K}$ such that there exist morphisms $f\in\mathfrak{K}(A,C)$, $g\in\mathfrak{K}(B,C)$. ## 3 The Amalgamation ###### Lemma 1. (Amalgamation Lemma) Let $Z$, $X$, $Y$ be finite-dimensional Banach spaces, such that $i:Z\to X$, $j:Z\to Y$ are isometric embeddings and $\\{0\\}$, $i[Z]$, $j[Z]$ are initial subspaces of $Z$, $X$, $Y$, respectively. Then there exists a finite-dimensional Banach space $W$, isometric embeddings $i^{\prime}:X\to W$, $j^{\prime}:Y\to W$ such that $i^{\prime}[X]$, $j^{\prime}[Y]$ are initaial subspaces of $W$ and the following commutes: $\textstyle{Y\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{j^{\prime}}$$\textstyle{W}$$\textstyle{Z\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{i}$$\scriptstyle{j}$$\textstyle{X.\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{i^{\prime}}$ ###### Proof. Let $Z$, $X$, $Y$ be finite-dimensional Banach spaces ($\operatorname{dim}(Z)=N$, $\operatorname{dim}(X)=M$, $\operatorname{dim}(Y)=K$ and $N\leq M,K$), where $\\{0\\}$ is an initial subspace $Z$, $i[Z]$ is an initial subspace of $X$ and $j[Z]$ is an initial subspace of $Y$, with sequences of norm-one projections $\\{P_{n}\\}_{n\leq N}$, $\\{Q_{n}\\}_{n\leq M-N}$, $\\{R_{n}\\}_{n\leq K-N}$, respectively. Observe that $Q_{0}[X]:=i(Z)=Z$ and $R_{0}[Y]:=j(Z)=Z$ (we assume that $i,j$ are inclusions). We define $W$ as a $(X\oplus Y)/\Delta$, where $\Delta=\\{(z,-z):z\in Z\\}$. Given $(x,y)\in X\oplus Y$, define a norm $\|(x,y)\|=\|x\|_{X}+\|y\|_{Y}$. Let $i^{\prime}_{X}(x)=(x,0)+\Delta$ and $j^{\prime}_{Y}(y)=(0,y)+\Delta.$ Then $i^{\prime},j^{\prime}$ are isometric embeddings (see [2] or [6]). We have to show that $i^{\prime}[X],j^{\prime}[Y]$ are initial subspaces of $W$ (observe that $\operatorname{dim}(W)=M+K-N$). We will definie sequences of projections $\\{S_{n}\\}_{n\leq M}$, $\\{T_{n}\\}_{n\leq K}$ such that $S_{0}:=i^{\prime}\circ Q_{M-N}=(Q_{M-N},0)+\Delta$ and $T_{0}:=j^{\prime}\circ R_{K-N}=(0,R_{K-N})+\Delta$. Note that $Q_{0}[X]=R_{0}[Y]$. Define $S_{n}(x,y):=(Q_{M-N}(x),R_{n}(y))+\Delta$ for $n\geq 1$. Similarly, $T_{n}(x,y):=(Q_{n}(x),R_{K-N}(y))+\Delta$ for $n\geq 1$. It is easy to show that $\|S_{n}\|\leq 1$ and $\|T_{n}\|\leq 1$. Observe that: 1. 1. $\operatorname{dist}((Q_{M-N}(x),R_{n}(y))+\Delta)\leq\|(Q_{M-N}(x),R_{n}(y))\|=\|Q_{M-N}(x)\|_{X}+\|R_{n}(y)\|_{Y}\leq\|x\|_{X}+\|y\|_{Y}$; 2. 2. $\operatorname{dist}((Q_{n}(x),R_{K-N}(y))+\Delta)\leq\|(Q_{n}(x),R_{K-N}(y))\|=\|Q_{n}(x)\|_{X}+\|R_{K-N}(y)\|_{Y}\leq\|x\|_{X}+\|y\|_{Y}$. This completes the proof ∎ Fix $\varepsilon>0$ and fix a linear operator $f:X\to Y$ such that $(1+\varepsilon)^{-1}\cdot\|x\|\leq\|f(x)\|\leq\|x\|$ for $x\in X$ and $f[X]$ is an initial subspace of $Y$. Consider the following category $\mathfrak{K}_{f}^{\varepsilon}$. The objects of $\mathfrak{K}_{f}^{\varepsilon}$ are pairs $(i,j)$ of linear operators $i:X\to Z$, $j:Y\to Z$ between Banach spaces with initial subspaces such that 1. 1. $i[X]$, $j[Y]$ are initial subspaces of $Z$; 2. 2. $\|i\|\leq 1$ and $\|j\|\leq 1$; 3. 3. $\|i(x)-j(f(x))\|\leq\varepsilon\cdot\|x\|$ for $x\in X$. Given $a_{0}=(i_{0},j_{0})$ and $b_{0}=(i_{1},j_{1})$ in $\mathfrak{K}_{f}^{\varepsilon}$, where $i_{k}:X\to{Z_{k}}$ and $j_{k}:Y\to{Z_{k}}$ for $k<2$, an arrow from $a_{0}$ to $b_{0}$ is defined to be a linear operator $T:{Z_{0}}\to{Z_{1}}$ such that $\|T\|\leq 1$, $T\circ i_{0}=i_{1}$, and $T\circ j_{0}=j_{1}$. ###### Lemma 2. The category $\mathfrak{K}_{f}^{\varepsilon}$ has an initial object $(i_{0},j_{0})$ such that both $i_{0}$, $j_{0}$ are canonical isometric embeddings into $X\oplus Y$ with a suitable norm $\|\cdot\|$ and $X\oplus Y$ has initial subspaces $X$, $Y$. ###### Proof. Define $G=\\{(x,-f(x))\in X\times Y:x\in\varepsilon^{-1}B_{X}\\}.$ Recall that $B_{X}$ and $B_{Y}$ are the unit balls of $X$ and $Y$ respectively. Finally, let $K$ be the convex hull of $G\cup(B_{X}\times\\{0\\})\cup(\\{0\\}\times B_{Y})$ and let $\|(x,y)\|_{K}=\inf\\{\|u\|_{X}+\|v\|_{Y}+\varepsilon\|w\|_{X}:(x,y)=(u,0)+(0,v)+(w,-f(w)),(x,y)\in K\\}$ on $K$. We claim that $\|\cdot\|_{K}$ is as required. Define linear operators $i_{0}(x)=(x,0)$ and $j_{0}(y)=(0,y)$. We check that $\|i_{0}(x)-j_{0}(f(x))\|_{K}\leq~{}\varepsilon\|x\|_{X}$. We have that $\|(x,-f(x))\|_{K}\leq\varepsilon\|x\|_{X}$. This implies that $\|i_{0}(x)-j_{0}(f(x))\|_{K}=\|(x,-f(x))\|_{K}\leq\varepsilon\|x\|_{X}.$ This proves that $(i_{0},j_{0})$ is an object of the category $\mathfrak{K}_{f}^{\varepsilon}$. Let $(w,-f(w))\in G$, $(u,0)\in B_{X}\times\\{0\\}$, $(0,v)\in\\{0\\}\times B_{Y}$ and let $\|u\|\leq 1$, $\|v\|\leq 1$, $\|w\|\leq\varepsilon^{-1}$. Then $(x,y)\in K$ is a linear combination: $\displaystyle(x,y)$ $\displaystyle=(u,0)+(0,v)+(w,-f(w))=(u+w,v-f(w)).$ Now we prove that $\|(x,0)\|_{K}=\|x\|_{X}$ and $\|(0,y)\|_{K}=\|y\|_{Y}$. Suppose that $\|x\|=1$ and $y=0$; then $v=f(w)$. It is easy to show that $\|(x,0)\|_{K}\leq\|x\|_{X}$ (we take $u=x$, then $w=0$ and $v=f(w)=0$). Observe that $\displaystyle\|u\|_{X}+\|v\|_{Y}+\varepsilon\|w\|_{X}=\|u\|_{X}+\|f(w)\|_{Y}+\varepsilon\|w\|_{X}\geq$ $\displaystyle\geq\|u\|_{X}+(1-\varepsilon)\|w\|_{X}+\varepsilon\|w\|_{X}=\|u\|_{X}+\|w\|_{X}\geq\|x\|_{X}.$ Suppose that $x=0$ and $\|y\|=1$, then $u=-w$. It is obvious that $\|(0,y)\|_{K}\leq\|y\|_{Y}$ (we take $v=y$, then $f(w)=0$ and $u=-w=0$). On the other hand $\displaystyle\|u\|_{X}+\|v\|_{Y}+\varepsilon\|w\|_{X}=\|w\|_{X}+\|v\|_{Y}+\varepsilon\|w\|_{X}=$ $\displaystyle=(1+\varepsilon)\|w\|_{X}+\|v\|_{Y}\geq(1+\varepsilon)\|w\|_{X}+\|v\|_{Y}\geq\|f(w)\|_{Y}+\|v\|_{Y}\geq\|y\|_{Y}.$ This proves that $i_{0}$, $j_{0}$ are isometric embeddings. We have to check that the convex hull $K$ is a unit ball of the norm $\|\cdot\|_{K}$. Let $B_{K}=\\{(x,y):\|(x,y)\|_{K}\leq 1\\}.$ The inclusion $K\subseteq B_{K}$ is obvious. To prove that $B_{K}\subseteq K$, fix $(x,y)$ such that $\|(x,y)\|_{K}<~{}1$. Then $\|u\|_{X}+\|v\|_{Y}+\varepsilon\|w\|_{X}<1$ for some $u,v,w$ such that $x=u+w$ and $y=v-f(w)$. Observe that $(u,0)\in B_{X}\times\\{0\\}$, $(0,v)\in\\{0\\}\times B_{Y}$, $(w,-f(w))\in G$ and $(u,0)+(0,v)+(w,-f(w))=(x,y)$. Denote $\alpha=\|u\|_{X}+\|v\|_{Y}+\varepsilon\|w\|_{X}$, then $\alpha<1$. Let $\lambda_{1}=\frac{\|u\|_{X}}{\alpha}$, $\lambda_{2}=\frac{\|v\|_{Y}}{\alpha}$ and $\lambda_{3}=\frac{\varepsilon\|w\|_{X}}{\alpha}$. Then $(u,0)=\lambda_{1}(\frac{\alpha}{\|u\|_{X}}(u,0))\in B_{X}\times\\{0\\}$, $(0,v)=\lambda_{2}(\frac{\alpha}{\|v\|_{Y}}(0,v))\in\\{0\\}\times B_{Y}$ and $(w,-f(w))=\lambda_{3}(\frac{\alpha}{\varepsilon\|w\|_{X}}(w,-f(w)))\in G$. We have to check that the pair $(i_{0},j_{0})$ is an initial object. This means that for every $(i,j)\in Obj(\mathfrak{K}_{f}^{\varepsilon})$ there exists a unique linear operator $T:X\oplus Y\to Z$ such that $T\circ i_{0}=i$, $T\circ j_{0}=j$ and the norm of $T$ is less or equal to 1. Fix $(i,j)\in Obj(\mathfrak{K}_{f}^{\varepsilon})$ and define $T(x,y)=i(x)+j(y)$. It is clear that this is the only possibility for $T$. We will check that $\|T\|_{Z}\leq 1$. Let $(x,y)\in K$, then 1. $1^{\circ}$ if $(x,y)\in B_{X}\times\\{0\\}$ then $\|T(x,0)\|_{Z}=\|i(x)\|_{Z}\leq 1$, 2. $2^{\circ}$ if $(x,y)\in\\{0\\}\times B_{Y}$ then $\|T(0,y)\|_{Z}=\|j(y)\|_{Z}\leq 1$, 3. $3^{\circ}$ if $(x,y)\in G$ then $\|T(x,-f(x))\|_{Z}=\|i(x)-j(f(x))\|_{Z}\leq\varepsilon\cdot\|x\|_{Z}\leq\varepsilon\cdot\varepsilon^{-1}=1$. Let $X$ and $Y$ be finite-dimensional Banach spaces ($\operatorname{dim}(X)=M$, $\operatorname{dim}(Y)=K$ and $M\leq K$), where $\\{0\\}$ is an initial subspace $X$ and $f[X]$ is an initial subspace of $Y$, with sequences of norm-one projections $\\{P_{n}\\}_{n\leq M}$ and $\\{Q_{n}\\}_{n\leq K-M}$, respectively. Observe that $Q_{0}[Y]:=f(X)$. We prove that $X,Y$ are initial subspaces of $X\oplus Y$ ($\operatorname{dim}(X\oplus Y)=M+K$). We define sequences of projecions $\\{R_{n}\\}_{n\leq K}$, $\\{S_{n}\\}_{n\leq M}$ such that $R_{0}:=i\circ P_{M}$ and $S_{0}:=j\circ Q_{K-M}$. Let $R_{n}:=i\circ P_{M}+j\circ f\circ P_{n}=(P_{M},f\circ P_{n})$ for $n\leq M$ and $R_{M+1+n}:=i\circ P_{M}+j\circ Q_{n+1}=(P_{M},Q_{n+1})$ for ${n\leq K-M-1}$. Similarly $S_{n}:=i\circ P_{n}+j\circ Q_{K-M}=(P_{n},Q_{K-M})$ for $n\leq M$. It is easy to show that $\|R_{n}\|_{K}\leq 1$ and $\|S_{n}\|_{K}\leq 1$. Observe that if 1. $1^{\circ}$ $\|(P_{M},f\circ P_{n})\|\leq 1$ for $n\leq M$, we take $u=P_{M}$, $v=0$, $w=0$, $f(w)=f\circ P_{n}$. 2. $2^{\circ}$ $\|(P_{M},Q_{n+1})\|\leq 1$ for ${n\leq K-M-1}$, we take $u=P_{M}$, $v=0$, $w=0$, $f(w)=Q_{n+1}$. 3. $3^{\circ}$ $\|(P_{n},Q_{K-M})\|\leq 1$ for $n\leq M$, we take $u=P_{n}$, $v=0$, $w=0$, $f(w)=Q_{K-M}$. ∎ First version of the proof of the lemma about extending $\varepsilon$-isometry between Banach spaces can be found in [2] and [7]. ## 4 A construction In order to make some statements shorter, we shall consider $1$-bounded operators, this means linear operators of norm at most 1 only. We shall now prepare the setup for our construction. We now define the relevant category $\mathfrak{K}$. The objects of $\mathfrak{K}$ are finite-dimensional Banach spaces. Given finite-dimensional spaces $X$, $Y$, an $\mathfrak{K}$-arrow is an isometric embedding $f:X\to Y$ such that $f[X]$ is an initial object of $Y$ and $\\{0\\}$ is an initial object of $X$ (both have a monotone Schauder basis). Denote by $\mathfrak{L}$ the subcategory of $\mathfrak{K}$ consisting of all rational $\mathfrak{K}$-arrows. Obviously, $\mathfrak{L}$ is countable. Looking at the proof of Lemma 1, we can see that $\mathfrak{L}$ has the amalgamation property. We now use the concepts from [6] for constructing a “generic" sequence in $\mathfrak{L}$. First of all, a sequence in a fixed category $\mathfrak{C}$ is formally a covariant functor from the set of natural numbers $\omega$ into $\mathfrak{C}$. Up to isomorphism, every sequence in $\mathfrak{L}$ corresponds to a chain $\\{X_{n}\\}_{n\in\omega}$ of finite-dimensional subspaces with initial subspaces. By this way, the monotone Schauder basis of a Banach space $X$ is translated into the existence of a sequence in $\mathfrak{K}$ whose co-limit is $X$. For the sake of convenience, we shall denote a sequence by $\vec{U}$, having in mind a chain $\\{U_{n}\\}_{n\in\omega}$ of finite-dimensional spaces with the initial subspaces. Given $U_{n}\subseteq U_{m}$, the $\mathfrak{K}$-arrow $f^{m}_{n}:U_{n}\to U_{m}$ is such that the image $f^{m}_{n}[U_{n}]$ is an initial subspace of $U_{m}$. Following [6], we shall say that a sequence $\vec{Y}$ in $\mathfrak{L}$ is Fraïssé if it satisfies the following condition: 1. (A) Given $n\in\omega$, and an $\mathfrak{L}$-arrow $f:{Y_{n}}\to Z$, there exist $m>n$ and an $\mathfrak{L}$-arrow $g:Z\to{Y_{m}}$ such that $g\circ f$ is the arrow from $Y_{n}$ to $Y_{m}$. It is clear that this definition is purely category-theoretic. The name “Fraïssé sequence", as in [6], is motivated by the model-theoretic theory of Fraïssé limits explored by Roland Fraïssé [1]. One of the results in [6] is that every countable category with amalgamations has a Fraïssé sequence. ###### Theorem 1 ([6]). The category $\mathfrak{L}$ has a Fraïssé sequence. From now on, we fix a Fraïssé sequence $\\{Y_{n}\\}_{n\in\omega}$ in $\mathfrak{L}$. As usual, we assume that the embeddings are inclusions. Let $\mathcal{B}$ be the completion of the union $\bigcup_{n\in\omega}Y_{n}$. ## 5 Universality ###### Theorem 2. Let $X$ be a Banach space with a monotone Schauder basis. Then there exists an isometric embedding $e:X\to\mathcal{B}$ such that $e[X]$ is an initial subspace of $\mathcal{B}$. ###### Proof. Fix a Banach space $X$ with a monotone Schauder basis and let this be witnessed by a chain $\\{X_{n}\\}_{n\in\omega}$ together with suitable projections $\\{Q_{n}\\}_{n\in\omega}$. We construct inductively $1$-bounded operator $e_{n}:X_{n}\to Y_{k_{n}}$ such that 1. (1) $e_{n}[X_{n}]$ is an initial subspace of $Y_{k_{n}}$, 2. (2) $\|e_{n+1}\restriction X_{n}-e_{n}\|<2^{-n}$. Recall that, according to our previous agreement, we consider only $1$-bounded operators. We may assume that $X_{0}=Y_{0}=\\{0\\}$, therefore it is clear how to start the induction. Suppose $e_{n}$ (and $k_{n}\in\omega$) have already been defined. By Lemma 2, there exist $i:X_{n}\to~{}W$ and $j:Y_{k_{n}}\to~{}W$, where $W=X_{n}\oplus_{e_{n}}Y_{k_{n}}$, and the following conditions are satisfied: 1. (3) $\|j\circ e_{n}-i\|<2^{-n}$. Using Lemma 1, we may further extend $W$ so that there exists also a $\ell:X_{n+1}\to W$ satisfying 1. (4) $\ell\restriction X_{n}=i$. Applying Lemma 2 and Lemma 1 we preserve condition (1). Recall that $Y_{n}$ is a rational Banach space. Thus, we can extend $W$ further, so that the extended arrow from $Y_{n}$ to $W$ will become rational. Doing this, we make some “error" of course, although we can still preserve (3) and (4), because all the inequalities appearing there are strict. Now we use the fact that $\\{Y_{n}\\}_{n\in\omega}$ is a Fraïssé sequence. Specifically, we find $k_{n+1}>k_{n}$, rational operators $g:W\to{Y_{k}}$ and $H:Y_{k_{n+1}}\to W$ such that $H\circ g=\operatorname{id}_{W}$ and $g\circ j$ is the inclusion $Y_{k_{n}}\subseteq Y_{k}$. Define $e_{n+1}=g\circ\ell$. This finishes the inductive construction. Passing to the limits, we obtain $1$-bounded operator $e:X\to\mathcal{B}$ . Condition (2) imply that $e$ is an isometric embedding. In particular, $e[X]$ is an initial subspace of $\mathcal{B}$. ∎ ###### Corollary 3. The space $\mathcal{B}$ is isomorphic to Pełczyńki’s complementably universal space for Schauder bases, as well as to Kadec’s complementably universal space for the bounded approximation property. ###### Proof. See the proof in [2, Corollary 5.2]. ∎ ## 6 Isometric uniqueness Proofs are done analogous like in [2]. We present only the theorems and references, when we can find the proofs. Let us consider the following extension property of a Banach space $E$: 1. (B) Given a pair $X\subseteq Y$ of finite-dimensional Banach spaces with monotone Schauder basis such that $\\{0\\}$, $X$ are initial subspaces of those spaces, respectively, given an isometric embedding $f:X\to E$ such that $f[X]$ is an initial subspace of $E$, for every $\varepsilon>0$ there exists an $\varepsilon$-isometric embedding $g:Y\to E$ such that $\|g\restriction X-f\|<\varepsilon$ and $g[Y]$ is an initial subspace of $E$. ###### Theorem 4. $\mathcal{B}$ satisfies condition (B). ###### Proof. See the proof in [2, Theorem 6.1]. ∎ ###### Lemma 3. Assume $X$ satisfies condition (B). Then, given $\varepsilon,\delta>0$, given finite-dimensional spaces $E\subseteq F$, given an $\varepsilon$-isometric embedding $f:E\to X$ such that $f[E]$ is an initial subspace of $X$, there exists a $\delta$-isometric embedding $g:F\to X$ such that $\|g\restriction E-f\|<\varepsilon$ and $g[F]$ is an initial subspace of $X$. ###### Proof. See the proof in [2, Lemma 6.2]. ∎ ###### Theorem 5. Let $\mathcal{B}$ and $\mathcal{K}$ be Banach spaces with monotone Schauder bases satisfying condition (B) and let $h:A\to B$ be a bijective linear isometry between finite-dimensonal subspaces, where $A$ and $B$ are initial subspaces of $\mathcal{B}$ and $\mathcal{K}$, respectively. Then for every $\varepsilon>0$ there exists a bijective linear isometry $H:\mathcal{B}\to\mathcal{K}$ that is $\varepsilon$-close to $h$. In particular, $\mathcal{B}$ and $\mathcal{K}$ are linearly isometric. ###### Proof. See the proof in [2, Theorem 6.3]. We use standard back-and-forth argument. Instead of codition (4) from proof of [2, Theorem 6.3], we have that $f_{n}[A_{n}]$ and $g_{n}[B_{n}]$ are initial subspaces of $\mathcal{K}$ and $\mathcal{B}$, respectively. ∎ ## References * [1] R. Fraïssé, Sur quelques classifications des systèmes de relations, Publ. Sci. Univ. Alger. Sér. A. 1 (1954) 35–182 * [2] J. Garbulińska, Isometric uniqueness of a complementably universal Banach space for Schauder decompositions, Banach J. Math. Anal. 8 (2014), no. 1, 211–220 * [3] W.B. Johnson, A. Szankowski, Complementably universal Banach spaces, Studia Math. 58 (1976) 91–97 * [4] M. I. Kadec, On complementably universal Banach spaces, Studia Math. 40 (1971) 85–89 * [5] N. Kalton, Universal spaces and universal bases in metric linear spaces, Studia Math. 61 (1977), 161–191 * [6] W. Kubiś, Fraïssé sequences: category-theoretic approch to universal homogeneus structures, preprint, arxiv.org/abs/0711.1683 * [7] W. Kubiś, S. Solecki, A proof of uniqueness of the Gurariĭ space, Israel J. Math. 195 (2013), 449–456 * [8] A. Pełczyński, Any separable Banach space with the bounded approximation property is a complemented subspace of a Banach space with a basis, Studia Math. 40 (1971) 239–243 * [9] A. Pełczyński, Projections in certain Banach spaces, Studia Math. 19 (1960), 209-228 * [10] A. Pełczyński, Universal bases, Studia Math. 32 (1969), 247-268 * [11] A. Pełczyński, P. Wojtaszczyk, Banach spaces with finite-dimensional expansions of identity and universal bases of finite-dimensional subspaces, Studia Math. 40 (1971) 91–108
arxiv-papers
2014-02-11T21:04:36
2024-09-04T02:49:58.116093
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Joanna Garbuli\\'nska-W\\c{e}grzyn", "submitter": "Joanna Garbuli\\'nska - W{\\ke}grzyn", "url": "https://arxiv.org/abs/1402.2660" }
1402.2665
# Large eddy simulation requirements for the Richtmyer-Meshkov Instability Britton J. Olson [email protected] Lawrence Livermore National Laboratory Livermore, CA 94550 Jeff Greenough Lawrence Livermore National Laboratory Livermore, CA 94550 ###### Abstract The shock induced mixing of two gases separated by a perturbed interface is investigated through Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS). In a simulation, physical dissipation of the velocity field and species mass fraction often compete with numerical dissipation arising from the errors of the numerical method. In a DNS the computational mesh resolves all physical gradients of the flow and the relative effect of numerical dissipation is small. In LES, unresolved scales are present and numerical dissipation can have a large impact on the flow, depending on the computational mesh. A suite of simulations explores the space between these two extremes by studying the effects of grid resolution, Reynolds number and numerical method on the mixing process. Results from a DNS are shown using two different codes, which use a high- and low-order numerical method and show convergence in the temporal and spectral dependent quantities associated with mixing. Data from an unresolved, high Reynolds number LES are also presented and include a grid convergence study. A model for an effective viscosity is proposed which allows for an _a posteriori_ analysis of the simulation database that is agnostic to the LES model, numerics, and the physical Reynolds number of the simulation. An analogous approximation for an effective species diffusivity is also presented. This framework is then used to estimate the effective Reynolds number and Schmidt number of future simulations, elucidate the impact of numerical dissipation on the mixing process for an arbitrary numerical method, and provide guidance for resolution requirements of future calculations. ## I Introduction The mixing of fluids is enhanced in the presence of fully developed turbulent flow. The turbulent cascade transports entrained fluid from the large scale eddies to the small scale eddies, increasing the net interfacial surface area and the speed at which the fluids molecularly diffuse. This fluid dynamics process is of importance in numerous applications in engineering and nature. For example, Inertial Confinement Fusion (ICF) capsules are known to be Rayleigh-Taylor unstable during the late compression phase of the ignition process. If this instability transitions to turbulence, the rate at which the ablator mixes with the fuel rapidly increases, potentially impacting capsule performance. Given the extreme conditions of ICF, physicists must rely heavily on computational and theoretical models to elucidate the actual state of the mixing. Large eddy simulation (LES) is a powerful simulation tool for capturing the large scale dynamics of unsteady fluid flow. Of LES, W.C. Reynolds Reynolds (1990) wrote, “The objective of large eddy simulations is to compute the three-dimensional time-dependent details of the largest scales of motion (those responsible for the primary transport) using a simple model for the smaller scales. LES is intended to be useful in the study of turbulence physics at high Reynolds number, in the development of turbulence models, and for predicting flows of technical interest in demanding complex situations where simpler model approaches (e.g. Reynolds stress transport) are inadequate”. Traditional LES approaches use high-order numerics and explicit sub-grid scale (SGS) models to account for the unresolved scales of motion at or below the grid cut-off frequency. Although a complete overview of existing SGS models is not given here, a review of general SGS model development and scale invariance is given by Meneveau and Katz Meneveau & Katz (2000) with select analysis of popular SGS models. The low numerical dissipation associated with high-order schemes is a desired attribute in LES as it allows for a broader range of length scales to be captured on the computational mesh. Indeed, Kravchenko and Moin Kravchenko & Moin (1997) found that errors in the SGS model and numerical truncation were reduced when high-order methods, with lower numerical dissipation and a broader range of resolved scales, were used. Since the fidelity of an LES calculation is proportional to the percentage of energy explicitly captured on the mesh, using a scheme with less numerical dissipation will generally produce more accurate results. In all LES approaches, dissipation works to inhibit and damp out energy in the fine scales. Dissipation is introduced into the simulation by the numerical method, the physical viscosity or the SGS model viscosity, if one is used. In the absence of an explicit SGS model viscosity, the method must rely on the underlying numerical discretization scheme to supply the “implied” SGS viscosity through numerical dissipation. Schemes which have no SGS model and no physical transport properties are classified as Implicit Large Eddy Simulation (ILES) methods. A complete development of various ILES methods is given by Grinstein, Margolin, and Rider Grinstein et al. (2007) with additional development of the general ILES approach given by Boris Boris et al. (1992). In the present work, we have considered methods that include the Navier-Stokes properties with and with out explicit SGS terms. For a given LES calculation with unresolved scales of motion, the effects of the three sources of dissipation are difficult to segregate. Although the physical transport coefficients are directly known, or not included in the case of ILES, their relative effect on the solution will depend on the amount of model and numerical dissipation. SGS dissipation and numerical dissipation will effectively vanish relative to the physical dissipation as the grid resolution increases and the DNS limit is approached. However, DNS solutions are often not computationally feasible for high Reynolds number flows. Furthermore, if physical viscous terms are not included, as is typical with ILES, the notion of a DNS limit is nonexistent. Efforts to quantify the dissipation of LES methods through an effective viscosity have been previously made. Aspden et al. Aspden et al. (2008) derived an effective viscosity model for an incompressible fluid which was verified by a suite of viscous calculations for sustained isotropic turbulence. Aspden’s model was particularly instructive in that it was applied _a posteriori_ to data and allowed for an effective Reynolds number to be computed for viscous and inviscid simulations. Grinstein et al. Grinstein et al. (2011) briefly showed for a Taylor-Green vortex that there exists a connection between under-resolved LES calculations at high Reynolds number and resolved DNS calculations at a much lower Reynolds number, implying an effective Reynolds number for the LES calculations. Thornber et al. Thornber et al. (2007) examined the numerical viscosity of decaying isotropic turbulence using high-order methods in ILES calculations. Zhou et al. Zhou et al. (2014) provided a method for estimating effective viscosities for ILES calculations where approximations of the dissipation rate are made to derive an effective viscosity. LES studies of the Richtmyer-Meshkov instability have led to significant scientific insight and have been done using the gamut of LES methodologies. Hill et al.Hill et al. (2006) used the stretched vortex SGS method and a hybrid WENO scheme to simulate the effect of shock Mach number on RM growth with reshock. Thornber et al. Thornber et al. (2010) used ILES and a high- order Gudonov-type finite volume method to investigate the dependence of initial conditions on RM induced mixing. Shankar and Lele Shankar & Lele (2012) used a 6${}^{\text{th}}$-order compact finite difference scheme and an explicit hyper-viscosity model Kawai & Lele (2008); Cook (2007) to perform LES studies of recent experiments Balakumar et al. (2008) of the RM instability. Although a full review of all the LES studies of the RM instability is outside the scope of this paper, the aforementioned examples serve to illustrate the diversity of numerical methods and models used in LES of the RM instability. Results from independent studies which employ different LES methodologies and different numerical methods will be subject to some degree of variability. With the exception of DNS, results from different methods should not be expected to be identical. To elucidate uncertainties in the LES approach, a comparison study of two Large Eddy Simulation methodologies is made by simulating the Richtmyer- Meshkov instability. The range between the viscous (DNS) and inviscid (Euler) limits is explored by variation of the physical viscosity. A grid convergence study in conducted at each Reynolds number for both LES approaches. The resulting database of simulation data allows the various sources of dissipation to be explored and is unprecedented for three-dimensional RM instability. A new a posteriori analysis is proposed which treats all methods, resolutions and Reynolds numbers in one common framework, which includes a formulation for both an effective viscosity and an effective species diffusivity. The paper is divided into five subsequent sections. Section II gives an overview of the equations of motion of multi-component flow which are being solved in the LES/DNS calculations. The numerical methods of the two codes and LES models are outlined as well. Section III includes results for the high- and low-Reynolds number cases, showing diagnostics for mixing and scale dependent energy. Dependence of the results on grid resolution and numerical method are discussed. In Section IV a framework for comparing results of LES calculations at different Reynolds numbers, grid resolutions and using different numerics is given. An effective viscosity and diffusivity are proposed which collapse the data and provide an estimate for an effective Reynolds number, Péclet number, and Schmidt number for the flow. Additional discussion and suggestions for predicting the requirements for LES/DNS calculations is given in Section V and a summary of the present work is given in the Conclusion in Section VI. ## II LES Methodology Variation of the numerical method is achieved by using two different LES codes for simulating the RM instability. Both codes, Ares and Miranda, are developed at Lawrence Livermore National Laboratory and are capable of solving the compressible Navier-Stokes equations in three spatial dimensions. In this section, an overview of the equations of motion is given. A brief summary of each LES solver is provided including discussion of the numerical method and the LES model, if any. ### II.1 Equations of Motion The compressible multi-component Navier-Stokes equations for $N$ fluids can be written in strong conservation form as: $\displaystyle\frac{\partial\rho Y_{i}}{\partial t}$ $\displaystyle+\nabla\cdot\left(\rho Y_{i}{\bf u}+{\bf J}_{i}\right)=0,\ \ \ \text{for i=1,2,..,N}$ (1) $\displaystyle\frac{\partial\rho{\bf u}}{\partial t}$ $\displaystyle+\nabla\cdot\left(\rho{\bf uu^{T}}+\underline{\bf\delta}p-\underline{\bf\tau}\right)=0$ (2) $\displaystyle\frac{\partial E}{\partial t}$ $\displaystyle+\nabla\cdot\left({\bf u}\left(E+p\right)+{\bf q}-{\bf u\cdot\underline{\tau}}\right)=0$ (3) where $\rho$ is the density, $Y_{i}$ is the mass fraction of species $i$, $\bf u$ is the velocity vector, $E=\rho\left(e+{\bf u}^{2}/2\right)$ is the total energy of the mixture, $T$ is the temperature of the gas, $e$ is the internal energy, $p$ is the pressure, and $\underline{\bf\delta}$ is the Kronecker delta tensor. The diffusive mass flux ${\bf J}_{i}$, viscous stress tensor $\underline{\tau}$, and energy flux $\bf q$ are given by $\displaystyle{\bf J_{i}}$ $\displaystyle=-\rho\left(D_{i}\nabla Y_{i}-Y_{i}\sum_{j=1}^{N}D_{j}\nabla Y_{j}\right),$ (4) $\displaystyle\underline{\tau}$ $\displaystyle=2\mu\underline{S}+\left(\beta-\frac{2}{3}\mu\right)\left(\nabla\cdot{\bf u}\right)\underline{\delta},$ (5) $\displaystyle{\bf q}$ $\displaystyle={\bf q}_{T}+{\bf q}_{E}$ (6) where the strain rate tensor $\underline{S}$, the conductive heat flux ${\bf q}_{T}$ and the interdiffusional enthalpy flux ${\bf q}_{E}$ are written as $\displaystyle\underline{S}$ $\displaystyle=\frac{1}{2}\left(\nabla{\bf u}+\left(\nabla{\bf u}\right)^{T}\right)$ (7) $\displaystyle{\bf q}_{T}$ $\displaystyle=-\kappa\nabla T$ (8) $\displaystyle{\bf q}_{E}$ $\displaystyle=\sum_{i}^{N}h_{i}{\bf J}_{i}$ (9) and where $h_{i}$ is the individual species enthalpy Cook (2009). #### II.1.1 Mixture equation of state The Navier-Stokes terms in eqs. 1, 2 and 3 contain the physical transport coefficients $\mu$, $\beta$, $\kappa$ and $D_{i}$; which are the shear viscosity, bulk viscosity, thermal conductivity, and species diffusivity, respectively. For low-Mach number flow, the temperature dependence of the species diffusivities is small. Once the shock wave has passed, the mean turbulent Mach number of the mixing layer remains below 0.05 for all time. Therefore, for problem simplification, a constant physical viscosity is prescribed through a Reynolds number, species diffusivity through a constant Schmidt number and thermal conductivity through a constant Prandtl number as follows; $\mu_{i}=\frac{\rho_{0,i}V_{0}\lambda_{0}}{Re_{\lambda_{0},i}},$ (10) $D_{f}=\frac{\mu_{i}}{\rho_{0,i}Sc_{i}}$ (11) $\kappa_{f}=\frac{c_{p}\mu_{f}}{Pr}$ (12) where $V_{0}$ is the post-shock velocity, $\lambda_{0}$ is the fastest growing perturbed wave length (eq. 20) and $c_{p}$ is the specific heat capacity at constant pressure. For the present calculations, the initial Reynolds numbers ($Re_{\lambda_{0}}$) in the pre-shocked air and SF6 are 30,000 and 180,000, respectively. The Schmidt numbers ($Sc$) are 1.11 and 0.18 in the the Air and SF6, respectively, and give a constant diffusivity, $D_{f}$. The Prandtl number ($Pr$) is 1.0 and is based on the mixture viscosity, $\mu_{f}$, which is given as, $\mu_{f}=\left(\sum_{i=1}^{2}\frac{Y_{i}}{\mu_{i}}\right)^{-1},$ (13) where the species index $i$ refers to Air ($i=1$) and SF6 ($i=2$). The constant thermodynamic and species transport properties are summarized in table 1. The ideal gas law is assumed, giving temperature and pressure as $\displaystyle T$ $\displaystyle=\frac{(\gamma_{f}-1)e}{R_{f}},$ (14) $\displaystyle p$ $\displaystyle=(\gamma_{f}-1)\rho e.$ (15) The mixture ratio of specific heats ($\gamma_{f}$) and mixture specific gas constant ($R_{f}$) are given as $\displaystyle\gamma_{f}$ $\displaystyle=\frac{c_{p}}{c_{v}},$ (16) $\displaystyle R_{f}$ $\displaystyle=R_{\text{univ}}\sum_{i=1}^{2}\frac{Y_{i}}{M_{w,i}}$ (17) with $\displaystyle c_{p}$ $\displaystyle=R_{\text{univ}}\sum_{i=1}^{2}\frac{Y_{i}\gamma_{i}}{M_{w,i}\left(\gamma_{i}-1\right)},$ (18) $\displaystyle c_{v}$ $\displaystyle=R_{\text{univ}}\sum_{i=1}^{2}\frac{Y_{i}}{M_{w,i}\left(\gamma_{i}-1\right)}$ (19) and where $R_{\text{univ}}=8.314\times 10^{7}$ [erg/K/mol] is the universal gas constant. Gasi | $\gamma_{i}$ | $\mu_{i}$ [g/cm$\cdot$s] | $D_{f}$ [cm2/s] | $M_{w,i}$ [g/mol] | Re${}_{\lambda_{0},i}$ | Sc0,i ---|---|---|---|---|---|--- Air ($i=1$) | 1.4 | $18.26\times 10^{-5}$ | $15.05\times 10^{-2}$ | 28.8 | $30\times 10^{3}$ | 1.11 SF6 ($i=2$) | 1.1 | $14.75\times 10^{-5}$ | $15.05\times 10^{-2}$ | 146.0544 | $180\times 10^{3}$ | 0.18 Table 1: Constant thermodynamics and molecular transport properties for the present study. ### II.2 The Miranda code The Miranda code has been used extensively for simulating turbulent flows with high Reynolds numbers and multi-component mixing Cook et al. (2004); Cabot & Cook (2006); Olson & Cook (2007); Olson et al. (2011). Miranda uses a 10${}^{\text{th}}$-order compact differencing scheme for spatial differentiation and a 5-stage, 4${}^{\text{th}}$-order Runge-Kutta scheme for temporal integration. Full details of the numerical method are given by CookCook (2007). For numerical regularization of the sharp, unresolved gradients in the flow, artificial fluid properties are used to locally damp structures which exist on the length scales of the computational mesh. In this approach, artificial diffusion terms are added to the physical ones which appear in Eqs. 4, 5 and 8. This method of AFLES was originally proposed by Cook Cook (2007) and has been altered by computing the artificial bulk viscosity term using $\nabla\cdot\mbox{\boldmath$u$}$ rather than $S$ (magnitude of the strain rate tensor). Mani et al.Mani et al. (2009) showed that this modification substantially decreased the dissipation error of the method. The artificial transport coefficients are computed by taking higher derivatives of the resolved fields. The explicit form for the terms and various test problems for validating the method are given in the references Cook (2007); Johnsen et al. (2010); Olson & Lele (2013). ### II.3 ARES ARES is an Arbitrary Lagrange Eulerian (ALE) code developed at Lawrence Livermore National Laboratory (LLNL). The Lagrange time step uses a second order predictor-corrector method. The Gauss divergence theorem is applied to solve the discrete finite difference equations Wilkins (1963) of the compressible multi-component Navier-Stokes equations (eqs. 1-3). The spatial derivatives are approximated using a second-order finite difference method. Artificial viscosity Kolev & Rieben (2009) is applied to damp out spurious, high frequency oscillations which are generated near shocks and contact discontinuities. Velocities are defined as nodal quantities, while density and internal energy are defined at zone centers using piecewise constant profiles. After each Lagrangian time step, a second order remap is applied to all variables (nodal and cell centered) to a new mesh, in keeping with the general ALE methodology. For the simulations of this study, a fixed Eulerian mesh is used. Although the ARES code includes an adaptive mesh refinement (AMR) capability Berger & Oliger (1984); Berger & Colella (1989), it was not exercised in this study to facilitate a direct comparison with Miranda. No explicit sub-grid scale model is applied to the equations of motion for all simulations presented in this study. ## III Richtmyer-Meshkov Instability ### III.1 Problem Setup To focus the scope of the present study, only the single shock RM problem is considered. In this case, dependence on the initial conditions is strong, therefore a particular realization of initial conditions is used for both codes at all resolutions and Reynolds numbers. The problem is solved in the post shock interface frame of reference, such that after the shock passes through the interface, it remains motionless in one dimension (1D). This motion was analytically prescribed and verified numerically in 1D. Figure 1: Schematic setup of the Richtmyer-Meshkov instability showing the initial conditions (left) and the 1D evolution of the shock waves and interface locations on the $x-t$ diagram (right). The “sponge” boundary conditions are used to absorb the outward moving shock wave with minimal spurious reflection. The states from region 1-5 are given in Table 2. A Mach 1.18 shock wave is initialized in air, ahead of a perturbed interface of sulfur-hexaflouride (SF6). The shock wave is initialized at $x_{s}$ such that the two discontinuities intersect at $x=0$ (see Fig. 1). The shock wave satisfies the Rankine-Hugoniot jump conditions, which are used to prescribe the conditions ahead of and behind the shock wave. The states in regions 1-5 of Figure 1 are explicitly given in Table 2 below. The three dimensional domain extents are 16cm$\times$8cm$\times$8cm in the $x$,$y$ and $z$ directions, respectively. Region | $p~{}\mathrm{[g/(cm\cdot s^{2})]}$ | $\rho~{}\mathrm{[g/cm^{3}]}$ | $u_{x}~{}\mathrm{[cm/s]}$ | Species ---|---|---|---|--- 1 | 1.36e6 | 1.42e-3 | 3.33e3 | Air 2 | 0.931e6 | 1.08e-3 | -6.33e3 | Air 3 | 0.931e6 | 5.50e-3 | -6.33e3 | SF6 4 | 1.53e6 | 8.66e-3 | 0.0 | SF6 5 | 1.53e6 | 1.55e-3 | 0.0 | Air Table 2: Values for initial flow field in the post shock air (region 1), pre shock air (region 2) and pre shock SF6 (region 3). The final states after the transmission and reflection of the shock wave are given for the SF6 and Air, regions 4 and 5, respectively. #### III.1.1 Perturbed initial interface The perturbation of the initial interface is necessary to generate baroclinic vorticity, instability growth and eventual transition to turbulence. The perturbation is defined in Fourier space as a power spectrum which is a function of the two-dimensional wave number. In this study, the general form for the power spectrum suggested by Thornber et al. Thornber et al. (2010) is assumed as $P(k)=\begin{cases}Ck^{m},&k_{\text{min}}<k<k_{\text{max}},\\\ 0,&\text{otherwise},\end{cases}$ (20) where $k=\sqrt{k_{y}^{2}+k_{z}^{2}}$ is the two-dimensional wave number. For the present study, $C=\lambda_{0}/10$, $\lambda_{0}=1/k_{\text{max}}$ , $m$ is set to -2, ($k_{\text{min}}$,$k_{\text{max}}$) is set to (4,16) and the random phase shifts used to construct the Fourier modes were determined _a priori_ and used to initialize all calculations. Since $k_{\text{max}}$ is less than the Nyquist wave number on the coarsest mesh, all initial fields are spectrally exact. The interface height is therefore given as $\eta(y,z)=\sum_{j}^{k_{y}}\sum_{k}^{k_{z}}P(k)\cos(k_{y}y+\phi_{y,j})\sin(k_{z}z+\phi_{z,k}),$ (21) where $\phi$ are the set of random numbers used for all initializations. The mass fraction fields are diffusely initialized over a finite width using a hyperbolic tangent function as $\displaystyle Y_{SF_{6}}(x,y,z,\tau=0)$ $\displaystyle=\frac{1}{2}\left(1+\tanh\left(\frac{x-\eta(y,z)}{\delta_{p}}\right)\right),$ (22) $\displaystyle Y_{Air}(x,y,z,\tau=0)$ $\displaystyle=1-Y_{SF_{6}}(x,y,z,\tau=0)$ (23) where $\delta_{p}$ is the initial interface thickness and is set to $\lambda_{0}/4$ for all calculations and where the non-dimensional time is given as $\tau=tV_{0}/\lambda_{0}$. Prior to first shock the two fluids have a constant ambient temperature of 297 K, which is implicitly given the values of Table 1 and 2 and the ideal gas equation of state. Figure 2: Iso-volume of the mass fraction of $SF_{6}$ between .1 and .9 for cases B, C, and D (top to bottom) from Miranda (left) and Ares (right) calculations at the nominal Reynolds number at $tV_{0}/\lambda_{0}=35$. Data from mesh D show the existence of a broad range of length scales in the mixing layer. ### III.2 Low Reynolds number DNS To establish a baseline for convergence to the resolved scales, a grid refinement study was conducted at a Reynolds number 1/25${}^{\text{th}}$ the nominal value. This reduction in Reynolds number (and subsequent reductions) was achieved by multiplying the species diffusivity and viscosities by the relevant factor, thereby maintaining a constant Schmidt number. At this Reynolds number it was possible to approach the DNS limit for the given high- resolution grid spacing selected. Table 3 shows the various resolutions selected and the resulting number of total grid points. Mesh | $N_{x}$ | $N_{y}$ | $N_{z}$ | Total Pts. ---|---|---|---|--- A | 128 | 64 | 64 | 0.5 M B | 256 | 128 | 128 | 4.2 M C | 512 | 256 | 256 | 33.5 M D | 1024 | 512 | 512 | 268.4 M Table 3: Computational mesh parameters for various levels of refinement and the resulting number of total grid points. Grids were uniformly spaced in all three coordinate directions. #### III.2.1 Mixing region growth Several integral measures of the mixing region are compared here. These global measures show the time dependent mixing state and are typically used for experimental comparison where only gross mixing measures are available. The mixing width is defined as $W=4\int_{-\infty}^{\infty}\langle Y_{\text{SF6}}\rangle\langle Y_{\text{Air}}\rangle dx,$ (24) where the $\langle\cdot\rangle$ operator denotes planar averages taken in the $y$-$z$ plane and is defined as $\displaystyle\langle f\rangle(x,t)$ $\displaystyle=\frac{1}{A}\int f(x,y,z,t)dydz\text{ , where }$ (25) $\displaystyle A$ $\displaystyle=\int dydz.$ (26) Another measure of mixing is the “mixedness”, which is the ratio of mixed fluid to entrained fluid defined as $\Theta=\frac{\int_{-\infty}^{\infty}\langle Y_{\text{SF6}}Y_{\text{Air}}\rangle dx}{\int_{-\infty}^{\infty}\langle Y_{\text{SF6}}\rangle\langle Y_{\text{Air}}\rangle dx}.$ (27) For fully developed three-dimensional mixing, this quantity approaches Cabot & Cook (2006) $\approx 0.8$. $\Theta$ represents the $2^{\text{nd}}$ statistical moment of mixing and can be identically related to the variance of the mass fractions as $\Theta=1+4\frac{\int_{-\infty}^{\infty}\langle Y_{\text{SF6}}^{\prime}Y_{\text{Air}}^{\prime}\rangle dx}{W}$ (28) where the primed values are defined as $F^{\prime}=F-\langle F\rangle$. Therefore, where $W$ is an integral measure of the mean of species mass fraction, $\Theta$ is an integral measure of its variance or fluctuations. (a) Miranda (b) Ares (c) Mesh D for Miranda & Ares Figure 3: Non-dimensional mixing width vs. time for meshes A-D at the reduced Reynolds number from Miranda (a) and Ares (b). Data between codes at the finest resolution are plotted in (c) and show that agreement worsens with time and is at most 2% different at $\tau=40$. (a) Miranda (b) Ares (c) Mesh D for Miranda & Ares Figure 4: Mixedness ($\Theta$) vs. time for meshes A-D at the reduced Reynolds number from Miranda (a) and Ares (b). Data between codes at the finest resolution are plotted in (c) and show that differences arise early on and remain constant over the observed time. Figures 3 and 4 show the time history of $W/\lambda_{0}$ and $\Theta$ at the various resolutions for the two codes. Curves for resolutions C and D are nearly indistinguishable for $W/\lambda_{0}$ through $\tau=40$ in Miranda (Fig. 3a) and up to $\tau=15$ in Ares (Fig. 3b) . The comparison of the fine mesh calculation between codes (Fig. 3c) shows the solutions differ more as time progresses, reaching approximately 2% difference at $\tau=40$. Figure 4a shows values for $\Theta$ are converged for $\tau>10$ in Miranda. For Ares in Figure 4b, the opposite occurs, where convergence is most pronounced for $\tau<10$. At $\tau=5$, $W$ is constant and $\Theta$ differs between the two codes (Figure 4c) which (by enforcing equation 28) implicates a larger mass fraction variance in Miranda at $\tau=5$ and indeed, for all time. This statement is confirmed by differences in the power spectra of the mass fraction given below. #### III.2.2 Spectra Evaluating the wave number dependence of the fluctuating turbulent quantities can elucidate characteristics of the flow physics as well as the numerical errors associated with the particular LES approach. In LES comparisons, directly measuring the energy of high wave numbers will indicate the range of scales which are resolved on the LES mesh. Spectra are computed at each $y$-$z$ plane where $4\langle Y_{\text{SF6}}\rangle\langle Y_{\text{Air}}\rangle>0.7$. The two-dimensional Fourier transforms from these $N$ planes are then averaged, binned into annuli and plotted as a function of two-dimensional wave number, $k$. This procedure is applied to the fluctuating mass fraction field as well as the velocity field, which are plotted in Figure 5 and 6, which shows the spectra for both Ares and Miranda at all resolutions at $\tau=35$. (a) Miranda (b) Ares (c) Mesh D for Miranda & Ares Figure 5: Power spectra of the fluctuating velocity at $\tau=35$ for Miranda (a) and Ares (b) for meshes A-D at the reduced Reynolds number. Convergence for wave numbers less than 70 is observed in both codes. The difference of the spectra for mesh D between the codes (c) is negligible up to wave number 100. The $k^{-5/3}$ fiducial is plotted (dashed) and shows a lack of an inertial subrange. (a) Miranda (b) Ares (c) Mesh D for Miranda & Ares Figure 6: Power spectra of the mass fraction of SF6 at $\tau=35$ for Miranda (a) and Ares (b) for meshes A-D at the reduced Reynolds number. Convergence for wave numbers less than 100 is observed in both codes. The difference of the spectra for mesh D between the codes (c) is noticeable for wave numbers larger than 15. The $k^{-5/3}$ fiducial is plotted (dashed) and shows a lack of an inertial subrange. The spectra show excellent convergence at the low wave numbers and a strong trend toward convergence at the higher wave numbers. For the velocity spectra, data from the finest resolution grid of Ares and Miranda (Figure 5c) are nearly indistinguishable for all wave numbers below $k=100$. The spectra of the mass fraction indicate that nearly all scales are captured for both Miranda (Figure 6a) and Ares (Figure 6b), as no differences are observed between spectra from meshes C and D. However, Ares and Miranda data are converging to different solutions in the high wave numbers, indicating a dependence on the numerical method. Since the integral of the power spectral density is proportional to the variance, Figure 6c supports the previous assertion made in Section III.2.1, that Miranda has a larger mass fraction variance. #### III.2.3 Dissipation Measures Numerical dissipation is most active on the fine scales which are unresolved on the computational grid. Quantities which are more dependent on the small scales, therefore, will exhibit larger sensitivity to both grid resolution and numerical method. To explore these sensitivities, the domain integrated enstrophy and normalized scalar dissipation rate are computed to explore the high wave number behavior of dissipation of the velocity field as well as the scalar field. Enstrophy is given by $\Omega(t)=\int_{V}\rho\|\mathbf{\omega}\|^{2}\ \ {dxdydz}$ (29) where $\mathbf{\omega}=\nabla\times\mathbf{u}$. The scalar (mass fraction) dissipation rate is defined as $\chi(t)=\int_{V}D_{SF_{6}}\nabla Y_{SF_{6}}\cdot\nabla Y_{SF_{6}}\ {dxdydz}.$ (30) Given that the simplified equation of state produces a constant value for diffusivity in the mixing layer, the diffusivity may be pulled outside the integral. Therefore, comparing $\chi/D_{SF_{6}}$ allows data from LES calculation of various Schmidt and Reynolds numbers to be compared directly. Differences between the codes and resolutions are largest at the temporal maxima of the enstrophy and scalar dissipation rate curves in Figures 7 and 8. This maximum occurs at around $\tau=12$ for enstrophy and at $\tau=8$ for scalar dissipation and is indicative of the time when the flow is becoming damped by the dissipation scales. Therefore, energy coupling to higher modes has taken place and the flow is beginning to transition to broadband turbulence. Note here that the “turbulence” referred to is in the diffusive/dissipative regime as the flow is relaxing and decaying and is not being driven. For the scalar field, this dissipation threshold occurs slightly before that of the velocity field. Convergence is significantly slower for these global measures of dissipation as compared to the mean mixing measures. In both Miranda and Ares (Figure 7a-b), enstrophy values are getting closer under grid refinement but have not fully converged by mesh D. The difference between mesh C and D in Miranda is smaller than that in Ares. The difference between the enstrophy at the finest mesh (Figure 7c) between the two codes is large, at nearly 10%. The measure of scalar dissipation also exhibits slow convergence, with the mesh D solution differing from that of mesh C by approximately 20% for both Miranda and Ares (Figure 8a-b). The difference between codes in $\chi/D_{SF_{6}}$ at the mesh D resolution (Figure 8c) is even larger than the differences in the enstrophy as might be expected, given that the power spectra of the species mass fraction differ more than the power spectra of the velocity. (a) Miranda (b) Ares (c) Mesh D for Miranda & Ares Figure 7: Time history of the domain integrated enstrophy ($\Omega$, eq. 29) for meshes A-D at the reduced Reynolds number from Miranda (a) and Ares (b). Data between codes at the finest resolution are plotted in (c). (a) Miranda (b) Ares (c) Mesh D for Miranda & Ares Figure 8: Time history of the domain integrated scalar dissipation rate ($\chi/D_{SF_{6}}$, eq. 30) for meshes A-D at the reduced Reynolds number from Miranda (a) and Ares (b). Data between codes at the finest resolution are plotted in (c). As will be shown later, the behavior of the mean flow at this reduced Reynolds number is largely dependent on the Reynolds number. With no inertial subrange, the smallest viscous scales will directly impact the large scales and alter the energy containing scales. As the Reynolds number gets sufficiently large and the inertial range forms and broadens, this dependence will gradually subside. Indeed, Grinstein et al. Grinstein et al. (2011) have suggested that DNS at low Reynolds number can resemble poorly resolved LES calculations at infinite Reynolds numbers, loosely linking the notion of grid dependence with Reynolds number dependence. This will be explored further in Section IV. ### III.3 High Reynolds number LES The second set of calculations were conducted at the Reynolds number given in Table 1, which is close to the experimental conditions of previous studies Jacobs & Krivets (2005); Jacobs & Sheely (1996); Vetter & Sturtervant (1995) of RMI. The required number of grid points needed for a DNS at this high Reynolds number is approximately $\sim 4\times 10^{12}$, which exceeds the capability of today’s computational resources. Simulations using the grids of Table 3 are therefore under resolved with respect to the viscous length scales. Therefore, the actual diffusion length scales of the simulation will be dependent on the dissipation from the numerics and the model. Both of which should vanish under grid refinement but will depend heavily on the numerical method and grid spacing. The large energy containing scales will become increasingly independent of the fine scales associated with the grid as the inertial subrange between the two broadens. It is this scale separation and independence of the solution on the fine scale which is probed in a requisite grid convergence study (Figure 2) of an LES calculation. Therefore, the energy containing portions of the flow field and global/integral observables such as the mixing width and mixedness will exhibit converging behavior. However, metrics which are biased to the small scales such as the scalar dissipation rate and enstrophy diverge under grid refinement and show stronger dependencies on the numerical dissipation. To explore this grid convergence at high Reynolds numbers, a grid resolution study was conducted for both numerical methods on meshes given in table 3. As in the DNS study, the temporal mixing widths and mixedness are plotted for both codes and all resolutions in Figure 9 and Figure 10. Convergence is less pronounced (as compared to the DNS convergence study) and curves diverge with time. However, for early time ($\tau<25$) the solutions are nearly indistinguishable at the fine mesh resolution. (a) Miranda (b) Ares (c) Mesh D for Miranda & Ares Figure 9: Non-dimensional mixing width vs. time for meshes A-D at the nominal Reynolds number from Miranda (a) and Ares (b). Data between codes at the finest resolution are plotted in (c) and show that agreement worsens with time and is at most 5% different at $\tau=40$. (a) Miranda (b) Ares (c) Mesh D for Miranda & Ares Figure 10: Mixedness ($\Theta$) vs. time for meshes A-D at the nominal Reynolds number from Miranda (a) and Ares (b). Data between codes at the finest resolution are plotted in (c) and show that the differences grow with time and are approximately 5% at $\tau=40$. The range of resolved scales can be readily examined by looking at the spectra of velocity and mass fraction fluctuations. Figure 11 shows the power spectra of velocity as a function of the two-dimensional wave number, $k$, computed as was described in the previous section. The power spectra between codes at the fine resolution are in good agreement for wave number less than 30, after which, they diverge. The inertial range following the $\sim k^{-5/3}$ spans over a wider range of wave numbers in Miranda than in Ares by approximately a factor of two on mesh D. At the coarsest calculation (mesh A) the spectra for both Ares and Miranda do not exhibit inertial ranges. The mass fraction spectra for the two codes (Figures 12a and 12b) show converged behavior up through wave number 80. Furthermore, on mesh D, solutions from Miranda and Ares (Figure 12), have equally wide inertial ranges and agree quite well for all wave numbers plotted. (a) Miranda (b) Ares (c) Mesh D for Miranda & Ares Figure 11: Power spectra of the fluctuating velocity at $\tau=35$ for Miranda (a) and Ares (b) for meshes A-D at the nominal Reynolds number. The difference of the spectra for mesh D between the codes (c) number 40. The $k^{-5/3}$ fiducial is plotted (dashed) and shows a broader inertial subrange as compared to the DNS spectra. (a) Miranda (b) Ares (c) Mesh D for Miranda & Ares Figure 12: Power spectra of the mass fraction at $\tau=35$ for Miranda (a) and Ares (b) for meshes A-D at the nominal Reynolds number. The difference of the spectra for mesh D between the codes (c) is small over the entire range of plotted wave numbers. The $k^{-5/3}$ fiducial is plotted (dashed) and shows a that the LES maintains an inertial range before the numerical dissipation effects begin to dominate. Quantitative measures of dissipation exhibit the largest differences in the under resolved LES calculations. Since these measures are biased towards gradients of the finest scales (where numerical dissipation is most active), grid and scheme dependence will be most apparent. The time histories of enstrophy and normalized scalar dissipation are plotted in Figure 13 and 14, respectively. The local maxima of the curves increase in value as the grid is refined. Values of enstrophy from the mesh C resolution in Miranda are close to those in Ares from mesh D, suggesting that Miranda is capturing finer length scales by roughly a factor of two. For the scalar dissipation in Figure 14, the disparity is not as large and Ares mesh D data lie somewhere between Miranda mesh C and D data. (a) Miranda (b) Ares (c) Mesh D for Miranda & Ares Figure 13: Time history of the domain integrated enstrophy ($\Omega$, eq. 29) for the nominal Reynolds number LES. The divergent behavior of the data in (a) and (b) suggest that the velocity length scales are proportional to grid spacing. The comparison of Miranda and Ares (c) on mesh D show the peak enstrophy values of the Miranda calculation on mesh C are approximately equivalent to those of the Ares calculation on mesh D. (a) Miranda (b) Ares (c) Mesh D for Miranda & Ares Figure 14: Time history of the domain integrated scalar dissipation rate ($\chi/D_{SF_{6}}$, eq. 30) for meshes A-D at the nominal Reynolds number from Miranda (a) and Ares (b). Data between codes at the finest resolution are plotted in (c). For the high Reynolds numbers calculations, the data clearly suggest that the flow is under resolved. Although the mean flow field still exhibits dependence on the fine grid scales (Figure 9 and 10), the effect is decreasing under grid refinement. Indeed, as the range of resolved scales grows larger with increased resolution, the effect of the new small scales on the large scales decreases. This effect can be directly seen in the convergence of the power spectra (Figures 11 and 12). As higher wave number energy is introduced through grid refinement, the effect on the lower wave numbers decreases. In the limit of infinite scale separation, the large scale solution will approach the Reynolds number independent solution. Thus, there is a notional connection between grid convergence and Reynolds number independence. Conversely, there also exists a connection between grid dependence and Reynolds number dependence. Grinstein et al. Grinstein et al. (2011) showed (for the Taylor-Green vortex) comparisons of low Reynolds number calculations and under-resolved high Reynolds number calculations. They found close correlations between the data, suggesting that poor numerical resolution has a similar effect as large amounts of physical viscosity on a well resolved grid. Both mechanisms act like a viscosity, damping the fine scales and reducing the length of the inertial range. In the following section, we seek a general way of comparing arbitrary simulation data which considers grid resolution, Reynolds number and numerical method through formulation of an effective viscosity. ## IV An effective viscosity for assessing the numerical dissipation in LES schemes The data presented in the previous sections demonstrate a dependence on Reynolds number, grid resolution and LES method. The differences arise from the small length scales associated with dissipation. In this section, an effective viscosity is proposed as an _a posteriori_ diagnostic to determine an effective Reynolds number and an effective Kolmogorov length scale of the flow for a given grid size, numerical method and physical Reynolds number. An analogous effective diffusivity is also proposed, which suggests an effective Batchelor scale and an effective Schmidt number. Given the strong grid dependence in the high wave numbers on the spectra and on profiles of the gradient based quantities, the previous LES in Section III.3 were poorly resolved with respect to the viscous and diffusion length scales. For under resolved calculations, the dissipation provided by the Navier-Stokes terms can be small compared to the dissipation of the SGS model or the numerical discretization. This has motivated the exclusion of the Navier-Stokes terms entirely in previous ILES studies Grinstein et al. (2011); Thornber et al. (2010); Latini et al. (2007) of RMI. Doing so can reduce the computational cost of the simulation but, used as a general approach, has certain disadvantages. DNS solutions will be impossible to generate or to approach under grid convergence. The fine scales of turbulence in an Euler calculation will always scale with those of the grid. Enstrophy, scalar dissipation rate and other high-order measures of turbulent mixing will never converge. Furthermore, having never approached the transition between DNS and LES regime, LES schemes which neglect physical transport terms will have less confidence in the assumption of the Reynolds number independence for modeling realistic flows. A general LES scheme can use any arbitrary set of numerical methods with any arbitrary set of SGS models. Typically, one selects numerics which balances the overall cost of the flux approximation with adequate resolving power and low numerical dissipation. SGS models are often selected or developed independently of the numerical scheme and motivated by physical properties of the turbulence. Some LES approaches combine the two and rely on the natural dissipation of the numerics to act as the SGS model of the scheme. In all such cases, there exists a non-neglible amount of numerical dissipation which often cannot be directly quantified. Careful post-processing of the data can reveal the artifacts of the dissipative nature of the scheme when comparisons are made. Quantities such as enstrophy and scalar dissipation rate are biased toward the high wave numbers and will show greater sensitivity to dissipation compared to conventional measures, such as turbulent kinetic energy (TKE). Computing an effective viscosity for LES calculations is instructive in that it allows the net effect of all diffusive processes to be compared on equal terms. In the absence of an explicit SGS model (as in ILES) previous efforts have shown the utility of an effective viscosity. Grinstein and Guirguis Grinstein & Guirguis (1992) compared viscous theory and simulation of two- dimensional shear layer to relate modified equations to an implicit sub-grid scale model. More recently, Aspden et al. provided a method for computing an effective viscosity for incompressible sustained isotropic turbulence. This viscosity was computed for the entire domain as, $\nu_{e}=\epsilon/D,$ (31) where $D=\frac{1}{V}\int_{V}\mathbf{u}\cdot\nabla^{2}\mathbf{u}\ \mathrm{d}V$ (32) and where $\epsilon$ is the kinetic energy dissipation rate, evaluated directly from the domain time rate of change of kinetic energy. Aspden showed that $\nu_{e}$ continuously transitioned between the two extremes; from fully resolved (DNS) where $\nu_{f}/\nu_{e}\to 1$, to under resolved, quasi-inviscid calculations where $\nu_{f}/\nu_{e}\to 0$, where subscript $f$ denotes the physical viscosity. For compressible turbulence and RMI in particular, we found this form to be insufficient for providing an _a posteriori_ approximation of the effective viscosity of the flow. Firstly, $D$ is not Galilean invariant and will change in magnitude for arbitrary frames of reference as is the case for shock induced mixing. Secondly, in compressible flow, $\nu$ has thermodynamic dependence and may not be moved outside of the Laplacian of $\bf u$ and therefore the relationship between $\epsilon$ and $D$ will not hold, in general, for a compressible fluid. Like Aspden, however, we do seek an identical behavior at the limits of DNS and Euler calculations. The motion of viscous fluids converts kinetic energy irreversibly to internal energy. The rate of this conversion due to viscous effects is the dissipation rate ($\epsilon$) and is given Landau & Lifshitz (2004) by $\rho\epsilon=\underline{\tau}:\nabla{\bf u}\ .$ (33) Substituting for the stress tensor ($\underline{\tau}$) of a compressible Netwonian fluid, we have $\rho\epsilon=2\mu{\bf S}^{2}+\left(\beta-\frac{2}{3}\mu\right)\left(\nabla\cdot{\bf u}\right)^{2}\ .$ (34) SGS models seek to account for sub-grid scale turbulent motion associated primarily with the rotational portion of $S$ and solenoidal portion of the velocity field. Therefore, if we neglect the purely dilatational term we have $\rho\epsilon=2\mu{\bf S}^{2}\ .$ (35) This is starting point for many SGS models used in the LES community. Perhaps the most ubiquitous of which is the Smagorinsky model, which approximates viscous dissipation as $\epsilon=2(C_{s}\Delta x)^{2}{\bf S}^{3}\ \ $ (36) and therefore the SGS viscosity can be written as $\mu_{Smag}=(C_{s}\Delta x)^{2}\rho{\bf S}\ \ .$ (37) Explicit model viscosity will therefore only be dynamically active in regions of the flow where high wave number turbulent energy exists. In resolved regions the dynamic model will vanish at a rate of $(\Delta x)^{2}$. The above overview and description of this particular LES model is not intended to defend nor refute its usage as an LES model. Rather, its attributes and characteristics are highlighted here only to give context and a starting point for the proposed diagnostic of the present work. To measure more precisely when the smallest scales of turbulent motion become resolved, an effective viscosity based on the Smagorinsky model and the SGS model of Cook is written as, $\mu^{*}=C_{\mu}\rho|\nabla^{2}\mathbf{S}|\Delta x^{4}$ (38) which is equivalent to Cook’s model, with $r=2$ and to Smagorinski where $\bf S$ is replaced with $(\Delta x)^{2}\nabla^{2}{\bf S}$. The effect of the Laplacian operator is to amplify the localization of the artificial terms in unresolved regions and to give a convergence rate of $(\Delta x)^{4}$ in regions of resolved flow. Therefore if we write the effective viscosity as $\mu_{\text{eff}}=C_{\mu}\rho|\nabla^{2}\mathbf{S}|\Delta x^{4}+\mu_{f}$ (39) we have $\mu_{f}/\mu_{\text{eff}}\to 1$ for DNS flows and $\mu_{f}/\mu_{\text{eff}}\to 0$ for inviscid or highly under revolved calculations. This form is Galilean invariant, general for compressible flow and can be computed either locally or integrated over some domain. The coefficient, $C_{\mu}$ requires closure (which will be discussed below) but is constant for a given numerical method. #### IV.0.1 An A Posteriori Analysis of Numerical Dissipation The effective viscosity can be computed at every point in the domain on an existing data set. For comparison purposes, the derivative operator involved in computing $\bf S$ and in taking the Laplacian should be identical between the two codes. For the present study, a simple $2^{\text{nd}}$ order central finite difference method is used for both Miranda and Ares data. For ease in comparison, a single value for the effective viscosity, $\overline{\mu_{\text{eff}}}$, is approximated by taking the peak value of the span average of $\mu_{e}$, written as $\overline{\mu_{\text{eff}}(t)}=\max\left({\langle\mu_{\text{eff}}({\bf x},t\rangle}\right).$ (40) Data for the Laplacian non-dimensionalized by the post shock velocity ($V_{0}$) and the smallest characteristic wave length of the initial perturbation spectrum ($\lambda_{0}$) are plotted in Figure 15a for $\tau=35$ versus the non-dimensional inverse grid spacing or the number of points per initial wave length. Data from the two Reynolds numbers at all resolutions are plotted for both Miranda (blue) and Ares (red). An additional case which used a Reynolds number 100 times larger than the nominal value of Table 1 was also run and represents the inviscid limit of the flow. (a) Inviscid scaling (b) Viscous scaling Figure 15: Left: Non-dimensional Laplacian of the strain-rate tensor, ${\bf S}$, for all the cases in table 3 as a function of inverse grid spacing. Right: Viscous scaling of the non-physical viscosity as a function of the grid Reynolds number expression. Blue symbols are data from Miranda and red are from Ares. The triangle, square and circle symbols correspond to a Reynolds number of $100Re_{\lambda_{0}}$, $Re_{\lambda_{0}}$ and $Re_{\lambda_{0}}/25$, respectively. The plus symbols reference additional cases described in Table 4. When $\mathbf{S}$ becomes resolved, $\nabla^{2}{\bf S}$ will converge and the whole expression in Eq. 38 will vanish as $(\Delta x)^{4}$. This rapid convergence can be seen in Figure 15 in the circle symbols, which is data from the DNS calculation. The slope of convergence is clearly steeper than that of the LES calculations (triangles and squares) and indicates that $\bf S$ is nearly converged. For cases where the flow is clearly under-resolved, the magnitude of the effective viscosity (see Figure 15a) will be proportional to $\Delta x^{-m}$ where $|m|<4$. For single shock RMI, both data sets suggest that the value of $m$ is approximately -1.4. It will be shown later that for LES of high Reynolds number turbulent flows, the value of $m$ is predicted by turbulence theory to be $-4/3$, which is approximately $5\%$ of the measured value. These convergence slopes are then used to non-dimensionalize the data over all Reynolds numbers. At the point where the slope becomes $(-4+m)/2$, the approximation is made that the artificial viscosity and the physical viscosity are equivalent or that $\mu^{*}/\mu_{f}=1$. The degree of freedom used to enforce this constraint gives an explicit value for $C_{\mu}$, which is dependent on the numerical method of the scheme, but independent of grid spacing and the physical viscosity of the problem. The values of $C_{\mu}$ were 8.11 and 63.13 in Miranda and Ares, respectively. With $C_{\mu}$ in hand, the entire expression for $\mu^{*}$ is known and can be non-dimensionalized by physical viscosity. The x-axis is also modified to include the effects of both physical viscosity and the grid spacing by computing the quotient $Re_{\lambda_{0}}^{R}/Re_{\Delta x}$. Here, $Re_{\lambda_{0}}$ is the large scale Reynolds number given by $\rho V_{0}\lambda_{0}/\mu_{f}$ and $Re_{\Delta x}$ is the grid Reynolds number given by $\rho V_{0}\Delta x/\mu_{f}$. The exponent $R$ is given exactly as $R=1+1/m$, which ensures that there is collapse of the data at different physical viscosities. Note, that if the convergence of $\mu^{*}$ in the Euler regime gives $m=-1$, then $R=0$ and the data collapse with $1/Re_{\Delta x}$. The non-dimensionalization is performed and the data from all the cases are plotted in Figure 15 along with the fiducial slopes for the different convergence rates in each regime. The x-axis is shifted by a constant such that $\alpha Re_{\lambda_{0}}^{R}/Re_{\Delta x}=1$ when $\mu^{*}/\mu_{f}=1$ where $\alpha$ is a constant for each code. For Miranda, $\alpha=10^{n}$ with $n=-1.46$ and in Ares, $n=-1.16$. To the left of this line, the flow is under- resolved and mostly dominated by non-physical dissipation. To the right, physical viscosity has a large effect on the smallest of length scales and the fourth order convergence indicates DNS levels of resolution. With this form of the artificial viscosity and after having made the aforementioned non-dimensionalization, one can readily answer two pertinent questions for LES: given the numerics and SGS model of an LES approach, 1) what resolution is needed for a DNS level calculation? 2) what is the effective Reynolds number of an under-resolved LES calculation? The first asks at which point the viscous scales become numerically resolved. The critical point at which this transition occurred (when $\mu^{*}/\mu_{f}=1)$ is given as $Re_{\lambda_{0}}^{R}/Re_{\Delta x}=1/\alpha$, where $\alpha$ was 28.84 in Miranda and 14.46 in Ares. The ratio between the two ($\alpha_{A}/\alpha_{M}$) can be used to compare DNS requirements. For example, for a given $Re_{\lambda_{0}}$, if Miranda is predicted to reach a DNS regime at $\Delta x_{0}$, Ares will reach a DNS regime at $\alpha_{A}/\alpha_{M}\Delta x_{0}$ or $\Delta x_{0}/2.0$. Additionally, for a constant $\Delta x_{0}$ for both codes, if Miranda can compute a DNS at $Re_{\lambda_{0}}$, Ares can compute a DNS at $\left(\alpha_{A}/\alpha_{M}\right)^{-m}Re_{\lambda_{0}}$ or $Re_{\lambda_{0}}/2.64$ using the same grid spacing. The second question is relevant to under-resolved LES flows where the effect of physical viscosity may be small and therefore, any Reynolds number which uses that viscosity will have arbitrary significance. Instead, the effective viscosity (Eq. 39) can be used to give a more realistic approximation of an effective Reynolds number of the flow. This Reynolds number will be more indicative of the resolved length scale separation between large production scales and small dissipation scales. Reynolds number independence and convergence of the large scale flow features will be highly dependent on this Reynolds number. This effective Reynolds number can be written as $Re_{\text{eff}}=Re_{0}\cdot\left(\frac{1}{1+\frac{\mu^{*}}{\mu_{f}}}\right).$ (41) As $\mu^{*}/\mu_{f}$ vanishes with convergence of the DNS solution, the effective Reynolds number will simply be the physical Reynolds number. For under-resolved LES flows, $\mu^{*}/\mu_{f}$ will be arbitrarily large and lead to a substantially lower effective Reynolds number of the flow. Figure 16: Non-dimensional Kolmogorov length scale vs. effective Reynolds number at $\tau=30$. The symbol references are the same as in Figure 15. The dashed line is from Kolmogorov theory (Eq. 43) and agrees quite well the measured values. To verify that a smaller effective Reynolds number does indeed lead to a smaller range of length scales in the flow, the Kolmogorov length scale is evaluated within the mixing layer. The Kolmogorov length scale is computed as $\eta_{\text{eff}}=\left(\frac{\nu^{3}}{\epsilon}\right)^{1/4}$ (42) where $\nu=\mu_{\text{eff}}/\rho$ is the effective viscosity and where $\epsilon=2\nu{\mathbf{S}}^{2}$ is being used to approximate the effective dissipation rate. The effective Kolmogorov length scale plotted in Figure 16 shows a clear relationship with the effective Reynolds number and a small dependence on the physical Reynolds number of the flow. Indeed, for sufficiently high Reynolds number, one may assume a balance between the mean turbulent kinetic energy and dissipation rate, $\lambda_{0}\sim k^{3/2}/\epsilon$, as suggested from Kolmogorov theory. Therefore, using the definition of $\eta_{\text{eff}}$, one may write an approximate scaling of $\eta_{\text{eff}}$ in terms of the effective Reynolds number as $\frac{\eta_{\text{eff}}}{\lambda_{0}}\sim Re_{\text{eff}}^{-3/4}.$ (43) This approximate scaling is plotted in Figure 16 which shows good agreement with the actual data. The relationship in Equation 43 implies a scaling of the effective viscosity with grid spacing. Earlier, it was reported that $\mu^{*}\sim\left(1/\Delta x\right)^{m}$ where $m$ was measured to be $\approx-1.4$. One can derive an exact value for $m$ using Eq. 43, the definition of $Re_{\text{eff}}$, and the approximation that $\eta\sim\Delta x$ and show that $m=-4/3$. As the data have indicated, this value and the assumptions needed to derive it, are valid for small vales of $\alpha Re_{\lambda_{0}}^{R}/Re_{\Delta x}$, away from the DNS regime. #### IV.0.2 Effective Species diffusivity In problems of turbulent multi-component mixing, numerical dissipation will directly affect the diffusive flux of differing materials. Therefore, the resolved gradients of species mass fraction will largely depend on the numerical scheme, grid resolution and the Reynolds and Schmidt numbers of the flow. By similar arguments as the effective viscosity, construction of an effective diffusivity can elucidate the differences between methods, resolutions and physical parameters used in LES. Using the form of the effective viscosity as a template and using $\nabla Y\cdot\nabla Y$ as an indicator for scalar dissipation, the numerical portion is written as $D^{*}=C_{D}c_{s}\left|\nabla^{2}\left(\sqrt{\nabla Y\cdot\nabla Y}\right)\right|\Delta x^{4}$ (44) where $c_{s}$ is the sound speed and $C_{D}$ is a code dependent coefficient. The form of $D^{*}$ follows that of $\mu^{*}$ where the magnitude of $S$ has been replaced with the magnitude of $\nabla Y$ and where $C_{\mu}\rho$ has been replaced with $C_{D}c_{s}$. For two component flow the $Y$ can be the mass fraction from either gas. The effective diffusivity is the sum of the numerical and physical portion, written as $D_{\text{eff}}=D^{*}+D_{f}\ .$ (45) Similar to the $\mathbf{S}$ in the effective viscosity expression, as $\nabla Y$ becomes resolved in the DNS limit $D_{f}/D_{\text{eff}}\to 1$. For under resolved simulations where the numerical diffusivity dominates, $D_{f}/D_{\text{eff}}\to 0$. Figure 17a shows the Laplacian of $|\nabla Y|$ non-dimensionalized by inviscid mean flow variables and plotted as a function of the number of grid points per $\lambda_{0}$. The data show two convergence rates and can be non-dimensionalized in an analogous fashion to $\mu_{\text{eff}}$, where the Péclet number ($Pe_{\lambda_{0}}=Sc_{0}Re_{\lambda_{0}}$) is the relevant non-dimensional number. Data indicate that $m=-1.4$ (the same value as $\mu_{\text{eff}}$) which is the slope of the data from the under resolved calculation. The coefficient $\alpha$ used to scale the x-axis such that $D^{*}/D_{f}=1$ when $\alpha Pe_{\Delta x}^{R}/Pe_{\lambda_{0}}=1$ is $10^{1.77}$ in Miranda and $10^{1.71}$ in Ares. Again, by construction, $R=1+1/m$, which is constant for all cases and codes. This gives coefficients $C_{D}$ of .039 and .097 for Miranda and Ares, respectively. Figure 17 shows the non-dimensional numerical diffusion in the under resolved and resolved regions. The fiducial slopes indicate where the flow is becoming resolved on the grid. Ares (red) data are shifted slightly to the left of the Miranda data, indicating that Miranda solutions reach DNS levels of convergence at a slightly coarser resolution than Ares. Therefore, for a given grid resolution and physical Reynolds number, one would expect higher values of $Pe_{\lambda_{0}}$ and smaller scalar length scales in Miranda. (a) Inviscid scaling (b) Diffusive scaling Figure 17: Left: Non-dimensional Laplacian of the magnitude of the scalar gradient, $\sqrt{\nabla Y\cdot\nabla Y}$, for all the cases in table 3 as a function of inverse grid spacing. Right: Viscous scaling of the non-physical diffusivity as a function of the grid Péclet number expression. Blue symbols are data from Miranda and red are from Ares. The triangle, square and circle symbols correspond to a Reynolds number of $100Re_{\lambda_{0}}$, $Re_{\lambda_{0}}$ and $Re_{\lambda_{0}}/25$, respectively. The plus symbols reference additional cases described in Table 4. Figure 18: Non-dimensional Batchelor length scale vs. effective Péclet number at $\tau=30$. The symbol references are the same as in Figure 17. The dashed line is the scaling for $\lambda_{bch}$ as predicted by Kolmogorov theory (Eq. 48) which shows good agreement with the data. Similar to the Kolmogorov length scale, the Batchelor scale describes the smallest length scales in the scalar gradient that can exist before diffusion dominates. This length scale can be related to the Kolmogorov scale as $\lambda_{bch}=\frac{\eta}{Sc_{\text{eff}}^{1/2}}\ $ (46) where the effective Schmidt number is defined as $Sc_{\text{eff}}=\frac{\mu_{\text{eff}}}{\rho D_{\text{eff}}}\ .$ (47) The non-dimensional Batchelor scale is plotted in Figure 18 and shows an exponential relationship with $Pe_{\text{eff}}$. Indeed, Kolmogorov theory also suggest a scaling of the Batchelor scale and Péclet number as $\frac{\lambda_{bch}}{\lambda_{0}}\sim\left(Pe_{\text{eff}}\right)^{-3/4},$ (48) which is plotted as dashed line in Figure 18 and shows good agreement with the actual data. Similar to the artificial viscosity, it can be shown that the artificial species diffusivity scales as $D^{*}\sim\left(1/\Delta x\right)^{m}$. Measured data and theory predict the value of $m$ to be, respectively, $-1.4$ and $-4/3$, identical to the values associated with $\mu^{*}$ in the LES regime. The effective Schmidt number is also plotted vs. $Pe_{\text{eff}}$ in Figure 19 and shows that Miranda data have a slightly higher Schmidt number than Ares. Figure 19: Effective Schmidt number vs. effective Péclet number at $\tau=30$ in the mixing layer. The physical Schmidt number was between .18 and 1.11 (see Table 1) on the heavy and light side, respectively. The symbol references are the same as in Figure 17. ## V Discussion of LES requirements LES results and the effective viscosity/diffusivity suggest that dissipation from the numerical method, grid resolution, and physical properties affect the small scales of motion. The above framework enables all three sources of dissipation to be assessed directly by examination of the large data set. As one might expect, the low order code produced larger amounts of effective viscosity than the higher order code. The difference between the two can be quantified as the equivalent $\Delta x_{lo}$ needed in the low order code (Ares), to have an equal amount of effective viscosity as the high order code (Miranda) at grid spacing $\Delta x_{ho}$. The ratio between mesh spacing when $\mu^{*}_{lo}/\mu^{*}_{ho}=1$ is defined as $N\equiv\Delta x_{ho}/\Delta x_{lo}$. It was observed that the value of $N$ was dependent on the level of resolution of the physical viscous scales. Near the DNS limit, it was previously shown that $N=(\alpha_{ho}/\alpha_{lo})$. Away from the DNS regime $N$ was larger as evidenced by the poor collapse between codes in Figure 15b for small values of $\alpha Re^{R}_{\lambda}/Re_{\Delta x}$. The upper bound for $N$ can be approximated as $N=\left(C_{\mu,ho}/C_{\mu,lo}\right)^{1/m}$ which assumes that the $\nabla^{2}{\bf S}$ is the same between codes for a given case. Therefore, the equivalent grid spacing can be expressed as $\frac{\alpha_{ho}}{\alpha_{lo}}\leq N\leq\left(\frac{C_{\mu,ho}}{C_{\mu,lo}}\right)^{1/m}\ .$ (49) It is also important to note that for three-dimensional time dependent simulations, the additional cost of running a calculation at a finer grid spacing scales approximately with $N^{4}$ and will be less if using AMR. The predicted bound of $N$ for the viscous terms at $\tau=30$ was $2.0\leq N\leq 4.3$ which is consistent with the time histories of enstrophy and in the spectra of the velocity field. For example, in the velocity spectra and enstrophy plots (Figures 11 and 13), the data from the mesh D Ares calculation lies in between data from mesh B and C from the Miranda calculation. These Miranda data are 2 and 4 times as coarse which is consistent with the predicted bounds on $N$ evaluated from Equation 49. The resolution difference of the scalar field was less pronounced than in the velocity field and equation 49 (where $\mu$ is replaced with $D$) gives $1.15\leq N\leq 1.92$. Here, the mass fraction spectra and scalar dissipation (Figures 12 and 14) show that the data from the scalar dissipation rate and the spectra of the density are slightly less than a factor of two different between Ares and Miranda, which again is consistent with the $N$ from Equation 49. The value of $N$ for the viscous and diffusive scales are supported by the measured effective Kolmogorov and Batchelor length scales. Both the Kolmogorov and Batchelor length scales represent the smallest length scales of turbulent motion, where fluctuations are dissipated by the viscosity of diffusivity. The lower numerical dissipation in Miranda leads to smaller values of these inner diffusive scales and therefore, a broader inertial range of turbulent fluctuations (see Figure 11). As stated earlier, it is this range which must be sufficiently large as to produce large scale LES results which are grid independent and which approximate a real flow in the Reynolds number independent regime. From the present data, it was observed that sufficient scale separation occurred at and above $Re_{\text{eff}}=2500$, which was represented on grid C and D in Miranda and grid D in Ares. Such information could be used in approximating the resolution requirements for a given scheme and Reynolds number if one wanted to compute either a DNS solution or grid independent LES solution. We note that a grid independent LES calculation of a Reynolds number dependent flow must be a DNS if the flow is truly grid independent. Furthermore, as was implicit in the analysis of Aspden et al., the maximum Reynolds number that a given mesh can capture at DNS resolution must always be less than the effective Reynolds number of an Euler calculation on that same mesh. As an _a posteriori_ test of the above analysis to approximate the level of resolution of the simulated flow, two additional simulations were run. One in Miranda using $Re_{\lambda_{0}}/10$ at mesh C resolution and one in Ares using $Re_{\lambda_{0}}/50$ at mesh C resolution. For the viscous terms, the relative resolution metric, $\alpha Re^{R}_{\lambda_{0}}/Re_{\Delta x}$, was 0.87 in Miranda and 1.34 in Ares. The Miranda case falls in the under-resolved regime (since $\alpha Re^{R}_{\lambda_{0}}/Re_{\Delta x}<1$) and the predicted value by a fit from data in Figure 15b of $\mu^{*}/\mu_{f}$ is 1.59. The actual measured value for $\mu^{*}/\mu_{f}$ was 1.57 which is strikingly close to the predicted value considering the analysis is in logarithmic space. These data are also plotted in Figure 15b as cross symbols and show good agreement with the other non-dimensionalized data. This same assessment is made for the Ares data and for both viscous and diffusive terms. The results are summarized in Table 4 and plotted as cross symbols in Figures 15b and 17b. Case | $\alpha Re^{R}_{\lambda_{0}}/Re_{\Delta x}$ | $\mu^{*}/\mu_{f}$ | $\alpha Pe^{R}_{\lambda}/Pe_{\Delta x}$ | $D^{*}/D_{f}$ ---|---|---|---|--- | | measured | predicted | | measured | predicted $Re_{\lambda_{0}}/10$ (Miranda) | 0.87 | 1.57 | 1.59 | 1.30 | 0.64 | 0.65 $Re_{\lambda_{0}}/25$ (Ares) | 1.34 | 0.18 | 0.45 | 3.74 | 0.016 | 0.022 Table 4: Summary of an _a posteriori_ test of the analysis in Section IV.0.1 using two independent calculations in Ares and Miranda. The analysis predicts the observed dissipation measures ($\mu^{*}/\mu_{f}$ and $D^{*}/D_{f}$) quite well, when compared to the collapsed data in Figures 15b and 17b. It is certainly not feasible to conduct the full analysis contained in this study for every LES problem one encounters. However, once the coefficients are determined, one can expect Cook (2007) them to be fairly universal across a broad range of turbulent flows. Therefore, on new problems where little resolution requirement information is known, one can quite easily compute $\mu_{f}/\mu_{\text{eff}}$ as a scalar quantity in the flow field and determine which regions are under resolved or where $\mu_{f}/\mu_{\text{eff}}<<1$. Such an indicator can be useful for flagging regions which are to undergo adaptive mesh refinement (AMR) or indicate where numerical errors arising from non-physical dissipation are expected to be most pronounced. Furthermore, since it has been shown that $\mu^{*}/\mu_{f}\sim\left(1/\Delta x\right)^{m}$ in the under-resolved LES regime, a reasonable prediction in the grid spacing needed to reach the minimal DNS requirement ($\mu^{*}=\mu_{f}$) can be provided by the expression, $\Delta x_{DNS}\approx\frac{\Delta x_{LES}}{\left(\mu^{*}/\mu_{f}\right)_{LES}^{1/m}}$ (50) where the “LES” subscripts make reference to value from an under-resolved LES calculation. ## VI Conclusion We have investigated the effects of numerical method, grid resolution and Reynolds number on the Richtmyer-Meshkov instability through a suite of LES and DNS calculation in the Ares and Miranda codes. Four mesh resolutions were used between the two codes in the simulation of the RMI using five different Reynolds numbers. Large scale integral quantities such as mixing layer width and integral mixedness were compared and showed close agreement under refinement. Frequency dependent terms demonstrated dependence on the mesh, scheme and Reynolds number of the flow. Gradient based terms which were related to dissipation rates also showed large dependence on the difference sources of dissipation. The results confirm the expected behavior, that the high-order method captures and a broader range of length scales and has better convergence than the low-order method. Although this finding is not particularly novel, the fidelity of the simulation database is novel, and therefore, has been interrogated to establish a new framework for LES comparisons. A simple form for an effective viscosity and diffusivity were proposed and applied _a posteriori_ to the data and which indicate the cumulative amount of dissipation in the flow field. The effective viscosity and diffusivity scalings collapse all the data between codes, resolutions and physical Reynolds numbers in one common framework which indicates the breadth of the dynamic range of scales supported in a particular LES calculation. An effective Reynolds number was also constructed which indicated that grid independence occurs at $Re_{\text{eff}}>2500$ and that the smallest viscous and diffusive scales supported on the grid are proportional to, respectively, the effective Reynolds number and Péclet number to the -3/4 power. The effective viscosity and diffusivity can be used to determine regions of under resolved flow and make predictions of the level of resolution needed to either produce a DNS result or an LES solution which is grid independent. The predictive capability of the framework was assessed for two additional, independent calculations which showed excellent collapsed onto the original data. ## Acknowledgements This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract number DE- AC52-07NA27344. The authors wish to thank A. Cook, W. Cabot, O. Schilling and B. Morgan for many valuable discussions and for help in running the codes. ## References * (1) * Aspden et al. (2008) Aspden, A., Nikiforakis, N., Dalziel, S. & Bell, J. B. (2008), ‘Analysis of implicit LES methods’, Comm. App. Math. and Comp. Sci. 3-1. * Balakumar et al. (2008) Balakumar, B. J., Orlicz, G. C., Tomkins, C. D. & Prestridge, K. P. 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(2010), ‘The influence of initial conditions on turbulent mixing due to Richtmyer-Meshkov instability’, J. Fluid Mech. 654, 99–139. * Thornber et al. (2007) Thornber, B., Mosedale, A. & Drikakis, D. (2007), ‘On the implicit large eddy simulations of homogeneous decaying turbulence’, J. Comp. Phys. 226, 1902–1929. * Vetter & Sturtervant (1995) Vetter, M. & Sturtervant, B. (1995), ‘Experiments on the Richtmyer-Meshkov instability of an air/SF6 interface’, Shock Waves 4, 247. * Wilkins (1963) Wilkins, M. (1963), ‘Calculation of elastic plastic flow’, Report UCRL, LLNL, CA 7322. * Zhou et al. (2014) Zhou, Y., Grinstein, F. F., Wachtor, A. J. & Haines, B. M. (2014), ‘Estimating the effective Reynolds number in implicit large-eddy simulation’, Phys. Rev. E 89, 013303.
arxiv-papers
2014-02-11T21:13:09
2024-09-04T02:49:58.124157
{ "license": "Public Domain", "authors": "Britton J. Olson and Jeffrey A. Greenough", "submitter": "Britton Olson", "url": "https://arxiv.org/abs/1402.2665" }
1402.2712
11institutetext: School of Computer and Mathematical Sciences Auckland University of Technology, New Zealand 11email: [email protected], 11email: [email protected] # Dynamic Partial Sorting Jiamou Liu Kostya Ross ###### Abstract The dynamic partial sorting problem asks for an algorithm that maintains lists of numbers under the link, cut and change value operations, and queries the sorted sequence of the $k$ least numbers in one of the lists. We first solve the problem in $O(k\log(n))$ time for queries and $O(\log(n))$ time for updates using the tournament tree data structure, where $n$ is the number of elements in the lists. We then introduce a layered tournament tree data structure and solve the same problem in $O(\log_{\varphi}^{*}(n)k\log(k))$ time for queries and $O\left(\log(n)\cdot\log^{2}(\log(n))\right)$ for updates, where $\varphi$ is the golden ratio and $\log_{\varphi}^{*}(n)$ is the iterated logarithmic function with base $\varphi$. ## 1 Introduction The problem setup. Many practical applications store data in a collection of key-value pairs where the keys are drawn from an ordered domain. In such applications, queries would be made on the order statistics of values within a subset of keys. Consider as an example the loan data of a library. This can be represented by an ordered map whose keys are structured indices indicating the category of the book, and whose values are the number of times the book was borrowed since acquisition. One possible type of queries involves retrieving the most popular (or least popular) books from various categories or subcategories. Facilitating such queries is an inherently dynamic problem; firstly, the subsets of the ordered map for whose values order statistics are desired can vary, and secondly, ordered maps typically represent mutable data, which requires values and keys to change. Existing algorithms and data structures cannot effectively solve this problem. If we want to represent an mutable ordered map, the standard solution (a self- balancing binary search tree) cannot efficiently extract order statistics about its values. On the other hand, existing selection algorithms for data with structured keys rely on the data being static, which in a dynamic context, would force a re-run of the algorithm on every change. Neither of these are desirable, especially when the data being represented by the ordered map is large. This leads to a need for a solution that can effectively extract order statistics about values, while being amenable to data mutation. Abstractly, we may view an ordered map as a list of numbers, where elements are arranged in the list by their keys. The above queries then amount to obtaining order statistics of numbers within intervals of the list. Formally, we propose the dynamic partial sorting problem, which is stated as follows: Maintain a collection of lists $\ell_{1},\ell_{2},\cdots,\ell_{m}$ of numbers, while allowing the following partial sorting operation: * • $\mathsf{psort}(\ell_{i},k)$: Return the $k$ smallest numbers in $\ell_{i}$ if $k$ is at most the size of $\ell_{i}$, and all elements in $\ell_{i}$ otherwise. The output should be in increasing order. We also support the following update operations: * • $\mathsf{changeval}(\ell_{i},x,x^{\prime})$: Suppose $x$ is a number in $\ell_{i}$; change $x$ to $x^{\prime}$. * • $\mathsf{link}(\ell_{i},\ell_{j})$: Link the lists $\ell_{i}$ and $\ell_{j}$ by attaching the tail of $\ell_{i}$ to the head of $\ell_{j}$. * • $\mathsf{cut}(\ell_{i},x)$: Suppose $x$ is a number in $\ell_{i}$; separate $\ell_{i}$ into two lists, such that the first list contains all elements from the head of $\ell_{i}$ to $x$ inclusive, and the second list contains all other elements of $\ell_{i}$. We assume the parameter $x$ in the $\mathsf{cut}(\ell_{i},x)$ and $\mathsf{changeval}(\ell_{i},x,x^{\prime})$ operations points directly to the element $x$ in $\ell_{i}$, and therefore no searching is necessary. In this paper, we are only going to focus on the $\mathsf{link}$, $\mathsf{cut}$, $\mathsf{changeval}$ and $\mathsf{psort}$ operations as defined above. We observe that these operations also permit partial sorting on arbitrary intervals in a list. Dynamically maintaining a sorted list of numbers is a well-explored topic. Existing solutions include utilizing various self-balancing binary search trees [1]. These data structures are not suitable for the dynamic partial sorting problem, as here we require elements in the lists to preserve their orders while extracting order statistics from the lists. To the authors’ knowledge, there has not been work formally addressing the dynamic partial sorting problem. Here we describe some naive algorithms for solving the problem: The first naive solution to the dynamic partial sorting problem is to simply put numbers in a linked list. Thus $\mathsf{link}(\ell,\ell^{\prime})$, $\mathsf{cut}(\ell,x)$ and $\mathsf{changeval}(\ell,x,x^{\prime})$ are solved in constant time, but to perform $\mathsf{psort}(\ell,k)$, we run an optimal static algorithm such as quick select [7] and partial quicksort [12], which take time $O(n+k\log(k))$. The second naive solution to the dynamic partial sorting problem is to store the numbers in each list in a priority queue. This allows us to perform $\mathsf{psort}(\ell,k)$ by repeatedly removing and returning the minimum item, and then re-inserting those items afterwards. The running time of $\mathsf{psort}(\ell,k)$ is $O(k\log(n))$, where $n$ is the number of elements in $\ell$. We can perform $\mathsf{link}(\ell,\ell^{\prime})$ and $\mathsf{cut}(\ell,x)$ by successively inserting or deleting elements from the priority queues of the lists. Hence each of these operations takes $O(n\log(n))$. Related work. Bordim et al have employed a partial sorting algorithm to solve problems in common-channel communication over single-hop wireless sensor networks [2]. Additionally, the problem has been generalized to sorting intervals [9]. The asymptotic time complexity of partial sorting has been thoroughly studied [11, 8, 5]. Several data structures for partial sorting have been described. Navarro and Paredes proposed one such structure in [13], but it is optimized for use of memory, rather than time, and is both amortized and online. Duch et al presented another structure in [3] for the selection problem which can be used for partial sorting. However the structure is not dynamic, and depends heavily on the length of the input data. Contribution of the paper. The goal of the paper is to design a solution to the dynamic partial sorting problem where the query and update operations have better time complexity. We first describe a solution that is based on the tournament tree data structure. A tournament tree of a list of numbers is a full balanced binary tree whose leaves are the elements of the list and the value of every internal node is the minimum of the values of its two children. Hence any node in the tournament tree stores the minimum number in the subtree rooted at this node. Based on this observation, we perform the $\mathsf{psort}(\ell,k)$ operation in time $O(k\log(n))$. We perform $\mathsf{changeval}(\ell,x,x^{\prime})$ in $O(\log(n))$ time by updating the path from $x$ to the root. The link and cut operations are handled in a similar way as linking and cutting balanced binary trees, and thus take time $O(\log(n))$. The tournament tree solution to the partial sorting problem allows efficient query and update operations. However, the time complexity of the $\mathsf{psort}(\ell,k)$ operation depends both on $k$ and the size $n$ of the list $\ell$. In practical applications where $n$ could be much larger than $k$, it is desirable to make the running time of the query operation independent from $n$. Therefore we develop another dynamic algorithm that solves the dynamic partial sorting problem with the following properties: * • We handle $\mathsf{psort}(\ell,k)$ in such a way that the size $n$ of $\ell$ has minimal influence on the time complexity of the operation. * • The time complexity of the update operations is not much worse than the tournament-tree-based algorithm above. More precisely, the update operations run in $o(\log^{2}(n))$. To this end, we introduce a recursive data type called the layered tournament tree data structure. The main idea is that, instead of using one tournament tree to store the items in a list, we use multiple layers of tournament trees. The layers extend downwards. The top layer consists of the tournament tree of the list. This tournament tree is partitioned into teams where each team can be viewed as a path segment of the tree. Each of these teams is then represented by a tournament tree in the layer below, where elements of the team correspond to leaves in the tree. The tournament tree of a team is again partitioned into teams which are represented by tournament trees in the subsequent layer. This process continues until the team consists of only one node. Since we maintain the tournament trees as balanced trees, we can guarantee that a tree in a particular layer has logarithmic size compared to the corresponding tree in the layer above. We define the partial sort operations for tournament trees on every layer of the data structure. Using an iterative algorithm that recursively calls the partial sort operation in lower layers, we perform the $\mathsf{psort}(\ell,k)$ operation on the original list $\ell$. The time complexity of the operation is $O\left(\log_{\varphi}^{*}(n)k\log(k)\right)$ where $n$ is the number of items in $\ell$, $\varphi=\frac{\sqrt{5}+1}{2}$ is the golden ratio and $\log_{\varphi}^{*}(n)$ is the iterated logarithmic function with base $\varphi$ (See Section 5 for a definition). Since the function $\log_{\varphi}^{*}(n)$ is almost constant even for very large values of $n$, the running time of $\mathsf{psort}(\ell,k)$ is almost independent from $n$. The time complexity of the $\mathsf{link}(\ell,\ell^{\prime})$, $\mathsf{cut}(\ell,x)$ and $\mathsf{changeval}(\ell,x,x^{\prime})$ operations is $O\left(\log n\cdot\log^{2}(\log n)\right)$. Organization. Section 2 introduces the tournament tree data structure. Section 3 describes the solution to the dynamic partial sorting problem using tournament trees. Section 4 introduces the layered tournament tree data structure. Section 5 and Section 6 discuss the algorithms for the $\mathsf{psort}(\ell,k)$ operation and the update operations using layered tournament trees, respectively. Section 7 concludes the paper and discusses future work. ## 2 Tournament Trees A list is an ordered tuple of numbers. We write a list $\ell$ as $a_{1},a_{2},a_{3},\ldots,a_{k}$ where $k$ and each element $a_{i}$ is a natural number. Throughout the paper we assume that the elements in a list are pairwise distinct. Trees. We assume a pointer-based computation model for our tree data structure. This means that every node in the tree has a reference that points to its parent. We normally use $T$ for a tree and $V$ for the set of nodes in $T$. The size of a tree $T$ is $|V|$. For every node $v\in V$, we use $p(v)$ to denote the parent of $v$ if $v$ is not the root, and set $p(v)=\mathsf{null}$ otherwise. We will use binary trees to represent lists of numbers. The fields of any node $v\in V$ in a binary tree consist of a tuple $(p(v),\mathsf{le}(v),\mathsf{ri}(v),\mathsf{val}(v))$ where $\mathsf{le}(v),\mathsf{ri}(v)$ are respectively the left child and right child of $v$. The field $\mathsf{val}(v)$ is a integer value associated with the node $v$. We use $T(v)$ to denote the subtree rooted at $v$. A path is a set of nodes $\\{u_{0},u_{1},\ldots,u_{m}\\}$ where $m\in\mathbb{N}$, $u_{0}$ is a leaf and $u_{i+1}=p(u_{i})$ for $0\leq i<m$. We call $m$ the length of the path.The height $h(T)$ of a tree $T$ is the maximum length of any path in $T$. A binary tree $T$ is balanced if for every node $v\in V$, $|h(T(\mathsf{le}(v))-h(T(\mathsf{ri}(v))|\leq 1$. A binary tree is full if every internal node has exactly two children, i.e., the $\mathsf{le}(v)$ and $\mathsf{ri}(v)$ fields are both non-null. Tournament trees. The tournament tree data structure is inspired by the tournament sort algorithm, which uses the idea of a single-elimination tournament in selecting the next element [10]. Formally, the data structure is defined as follows: ###### Definition 1 A tournament tree of a list $\ell$ of numbers $a_{1},a_{2},a_{3},\ldots,a_{n}$ is a balanced full binary tree $T$ that satisfies the following properties: 1. 1. The tree has exactly $n$ leaves whose values are $a_{1},a_{2},\ldots,a_{n}$ respectively. 2. 2. For every internal node $v\in V$, if $\mathsf{val}(\mathsf{le}(v))=a_{i}$ and $\mathsf{val}(\mathsf{ri}(v))=a_{j}$, then $i<j$ and $\mathsf{val}(v)=\mathsf{min}\\{a_{i},a_{j}\\}$. See Figure 1 for an example of a tournament tree. Intuitively, one can view a tournament tree of a list of numbers as a binary search tree, where the numbers are stored in the leaves. The key of each leaf in the binary search tree is the index of the number it stores in the list, and the value is the number itself. 22336292444783$\ell:$692478 Figure 1: A tournament tree of a list $\ell=3,6,9,2,4,7,8$. Edges in principal paths are bolded. As a tournament tree is balanced, its height is logarithmic with respect to the number of leaves. More specifically we prove the following lemma. ###### Lemma 1 If $T$ is a tournament tree with $n$ leaves where $n>0$, then the height of $T$ is not more than $\log_{\varphi}(n)$ where $\varphi$ is the golden ratio. ###### Proof It suffices to show that the least number of leaves $f(h)$ in any tournament tree with height $h\geq 0$ is $\varphi^{h}$, where $\varphi=\frac{\sqrt{5}+1}{2}$ is the golden ratio. The lemma can be easily proved using the following observation. Note that here we use the fact that a tournament tree is balanced and full. $f(h)\geq\begin{cases}1&\text{ if $h=0$,}\\\ 2&\text{ if $h=1$,}\\\ f(h-1)+f(h-2)&\text{ if $h\geq 2$.}\end{cases}$ ∎ ## 3 Dynamic Partial Sorting With Tournament Trees We now describe an algorithm for solving the dynamic partial sorting problem based on tournament trees. The algorithm assumes that any list $\ell$ of numbers is represented as a tournament tree $T$, whose leaves are the elements of $\ell$. Therefore, we will refer to a list and its tournament tree interchangeably. Furthermore, when we refer to an element $x$ of $\ell$, we also mean the leaf $u$ in $T$ with value $x$ and vice versa. All terms that relate to a tournament tree $T$ carry forward to the corresponding list $\ell$. Hence the nodes, root, leaves, and internal nodes of $\ell$ refer to the equivalent concepts in $T$. Let $\ell$ be a list of numbers. We list the elements of $\ell$ from small to large as $x_{1},x_{2},\ldots,x_{n}$. By definition, the root of $\ell$ has the smallest value. Therefore to find the minimum element $x_{1}$, we simply return the root. For finding the subsequent $x_{i}$’s, we make the following definitions. ###### Definition 2 Let $T$ be a tournament tree. For any nodes $u,v$ in $T$, we write $u\sim v$ if $\mathsf{val}(u)=\mathsf{val}(v)$. As we assume that any list $\ell$ contains pairwise distinct numbers, the equivalence relation $\sim$ partitions the nodes in a tournament tree into disjoint paths. ###### Definition 3 The principal path $\mathsf{Path}(u)$ of a node $u$ is the equivalence class $\\{v\mid u\sim v\\}$. The value of $\mathsf{Path}(u)$ is $\mathsf{val}(u)$. Intuitively we view $\mathsf{Path}(u)$ as a path that originates from a leaf in $T$ and extends upwards, and every node in $\mathsf{Path}(u)$ “gains” its value from this leaf. Hence we single out this leaf and define the following. ###### Definition 4 The origin of a principal path $P$ is the leaf in $P$. Later when referring to “a principal path” in the tree $T$, we mean $\mathsf{Path}(u)$ for some node $u$ in $T$. Note that the second least number in $T$ is the value of a sibling of some node in the principal path of $T$’s root. In general, for any $1\leq i<n$, let $P_{i}$ denote the principal path in $T$ with value $x_{i}$. The number $x_{i+1}$ is $\mathsf{val}(u)$ where $u$ is a sibling of some node in $P_{1}\cup P_{2}\cup\cdots\cup P_{i}.$ Hence in computing the $(i+1)$th smallest number in $\ell$ one would need to examine all principal paths whose origins are $x_{1},x_{2},\ldots,x_{i}$, and the values of the siblings of nodes on these paths. Formally, we make the following definition. ###### Definition 5 Let $u$ be an internal node in a tournament tree $T$. The subordinate $\mathsf{sub}(u)$ of $u$ is a child of $u$ that does not belong to the same principal path as $u$. Based on the above observation, to perform $\mathsf{psort}(\ell,k)$, we first output the root of $\ell$ (along with its value), and then apply the following: Whenever a node $u$ is returned, we continue to examine the subordinates of all nodes in the principal path of $u$. This process is continued until we return $\mathsf{min}\\{k,n\\}$ nodes in $\ell$. During this process we use a priority queue to store the nodes examined so far. Formally we describe the operation in Algorithm 1. Algorithm 1 $\mathsf{\mathsf{psort}}(\ell,k)$ 1:$u\leftarrow$ the root of $\ell$ 2:Make a new priority queue $Q$ 3:for $k$ iterations do 4: Output $\mathsf{val}(u)$ 5: while $u\neq\mathsf{null}$ do 6: $y\leftarrow\mathsf{sub}(u)$ 7: $\mathsf{insert}$($Q,y$) 8: $u\leftarrow$ the child of $u$ with the same value as $u$, or $\mathsf{null}$ if no such child exists 9: $u\leftarrow$ $\mathsf{deletemin}$($Q$), or $\mathsf{null}$ if $Q$ is empty To perform $\mathsf{changeval}(\ell,x,x^{\prime})$, we first change the value of the leaf $x$ to $x^{\prime}$. This can make the values of every ancestor of $x$ incorrect; thus, we walk the path from $x$ to the root of $\ell$, and set the value of every ancestor of $x$ to be the minimum value of its children. For an exact description, see Algorithm 2. Algorithm 2 $\mathsf{changeval}(\ell,x,x^{\prime})$ $\mathsf{val}(x)\leftarrow x^{\prime}$; $v\leftarrow p(x)$ while $v\neq\mathsf{null}$ do if $\mathsf{val}(v)\neq\mathsf{min}\\{\mathsf{val}(\mathsf{le}(v)),\mathsf{val}(\mathsf{ri}(v))\\}$ then $\mathsf{val}(v)\leftarrow\mathsf{min}\\{\mathsf{val}(\mathsf{le}(v)),\mathsf{val}(\mathsf{ri}(v))\\}$ $v\leftarrow p(v)$ The link and cut operations are handled in a similar way as linking and cutting self-balancing binary search trees as described in [14]. * • Link. For the $\mathsf{link}(\ell,\ell^{\prime})$ operation, we let $T_{1}$ and $T_{2}$ denote the tournament trees of $\ell$ and $\ell^{\prime}$ respectively. Without loss of generality, we assume that $h(T_{1})>h(T_{2})$; the other case is symmetric. We would like to join $T_{1}$ and $T_{2}$ so that all leaves in $T_{1}$ are to the left of the leaves in $T_{2}$ in the resulting tree. For this operation, we follow right child pointers from the root of $T_{1}$ until we reach a node $x$ such that $h(T_{1}(x))\leq h(T_{2})$. We then cut the subtree $T_{1}(x)$ away from $T_{1}$, and replace it with a new node $u$; we set $\mathsf{le}(u)$ to be $x$, $\mathsf{ri}(u)$ to be the root of $T_{2}$, and $\mathsf{val}(u)$ as the minimum of the values of $u$’s two children. This change can cause the new tree to become unbalanced, and may also require us to modify the values of the nodes on the path from $u$ to the root. To solve these problems, we walk the path from $u$ to the root; at each node $v$ on the path, we must perform two tasks. Firstly, we check whether $T(v)$ is unbalanced; if it is, we perform a left tree rotation on its right child $v^{\prime}$ and then we set $\mathsf{val}(v^{\prime})$ to be the minimum of the values of its children. Secondly, we correct $\mathsf{val}(v)$ to be the minimum of the values of its children. We only need to perform a rotation once for any join, as the height of any subtree of $T_{1}$ has increased by at most 1 as part of this process. Note that the resulting tree is a balanced full binary tree. See Algorithm 3. In this description, we use $\mathsf{rotateleft}(u)$ to refer to a left tree rotation of the node $u$. Algorithm 3 $\mathsf{\mathsf{link}}(T_{1},T_{2})$ (For the $h(T_{1})>h(T_{2})$ case) 1:$x\leftarrow$ the root of $T_{1}$, $x^{\prime}\leftarrow$ the root of $T_{2}$ 2:while $h(T_{1}(x))>h(T_{2})$ do 3: $x\leftarrow\mathsf{ri}(x)$ 4:Create a new node $u$ 5:$\mathsf{ri}(p(x))\leftarrow u$, $\mathsf{le}(u)\leftarrow x$, $\mathsf{ri}(u)\leftarrow x^{\prime}$ $\triangleright$ Form a new tree with left subtree $T_{1}(x)$ and right subtree $T_{2}$ 6:$\mathsf{val}(u)\leftarrow\mathsf{min}\\{\mathsf{val}(u),\mathsf{val}(x^{\prime})\\}$ 7:$y\leftarrow u$ 8:while $y\neq\mathsf{null}$ do 9: $z\leftarrow\mathsf{le}(p(u))$ 10: if $h(y)>h(z)+1$ then 11: $\mathsf{rotateleft}$($y$) 12: $\mathsf{val}(p(z))\leftarrow\mathsf{min}\\{\mathsf{val}(z),\mathsf{val}(\mathsf{ri}(p(z))\\}$ 13: $\mathsf{val}(y)\leftarrow\mathsf{min}\\{\mathsf{val}(\mathsf{le}(y)),\mathsf{val}(\mathsf{ri}(y))\\}$ 14: $y\leftarrow p(y)$ * • Cut. To perform the $\mathsf{cut}(\ell,x)$ operation, we need to split the tournament tree $T$ of $\ell$ at the leaf $u$ where $\mathsf{val}(u)=x$, such that $u$ and all leaves to its left belong to one tournament tree, and all leaves to its right belong to another. For this operation, we first walk the path from $u$ to the root, deleting every edge on the path and incident to it. We also remove any internal nodes which have no children as part of this process. This breaks the tree into a collection of subtrees, the root of each of which was a child of a node on the path from $u$ to the root. We then link the subtrees containing nodes to the left of $u$ (and $u$ itself) to form a tournament tree $T_{1}$, and the subtrees containing the other nodes to form another tournament tree $T_{2}$. See Algorithm 4. Algorithm 4 $\mathsf{\mathsf{cut}}(T,u)$ 1:$x\leftarrow p(u)$; $y\leftarrow u$ 2:Create two empty tournament trees $T_{1},T_{2}$ 3:$T_{1}\leftarrow$ $T(y)$ 4:while $x\neq\mathsf{null}$ do 5: if $y=\mathsf{le}(x)$ then 6: $T_{2}\leftarrow$ $\mathsf{link}$($T_{2},T(\mathsf{ri}(x))$) 7: else 8: $T_{1}\leftarrow$ $\mathsf{link}$($T(\mathsf{le}(x)),T_{1}$) 9: $y\leftarrow x$; $x\leftarrow p(x)$ ###### Theorem 3.1 There is an algorithm that solves the dynamic partial sorting problem which performs the $\mathsf{psort}(\ell,k)$ operation in time $O(k\log(n))$, and performs the $\mathsf{link}(\ell,\ell^{\prime})$, $\mathsf{cut}(\ell,x)$ and $\mathsf{changeval}(\ell,x,x^{\prime})$ operations in time $O(\log(n))$, where $n$ is the size of the list $\ell$. ###### Proof We analyze the time complexity of the above operations. * (a) $\mathsf{psort}(\ell,k)$. By Lemma 1, every path of the tournament tree is bounded by $\log_{\varphi}(n)$. This means that when the $\mathsf{psort}(\ell,k)$ operation outputs an element $x$, it inserts at most $\log_{\varphi}n$ nodes into the priority queue. Hence the priority queue has size bounded by $k\log_{\varphi}n$. If we use an efficient priority queue implementation, the time complexity of the operation is $O(k\log(n))$. * (b) $\mathsf{changeval}(\ell,x,x^{\prime})$. By Lemma 1 we must modify at most $\lceil\log_{\varphi}(n)\rceil+1$ nodes, and each modification consists of an assignment and a two-way comparison, each of which takes constant time. Thus, we have at most $2(\lceil\log_{\varphi}(n)\rceil+1)$ constant-time operations, which makes $\mathsf{changeval}(\ell,x,x^{\prime})$ an $O(\log(n))$ operation. * (c) $\mathsf{link}(\ell,\ell^{\prime})$. Let $T_{1},T_{2}$ be the tournament trees of $\ell$ and $\ell^{\prime}$ respectively. Let $m=|h(T_{1})-h(T_{2})|$. As discussed above, the $\mathsf{link}(T_{1},T_{2})$ operation performs at most one rotation and up to $m$ many changes to the values of nodes while walking the path from $u$ to the root. Therefore the $\mathsf{link}(T_{1},T_{2})$ operation takes time $O(m)$, which is $O(\log(n))$. * (d) $\mathsf{cut}(\ell,x)$. Let $T$ be the tournament tree of $\ell$ and $u$ be the leaf with value $x$. Let $P=\\{u_{0},u_{1},u_{2},\ldots,u_{k}\\}$ be the path in $T$ from $u_{0}=u$ to the root of $T$ where $u_{i+1}=p(u_{i})$ for all $0\leq i<k$. By Algorithm 4, the $\mathsf{cut}(T,u)$ operation separates $T$ into a collection of tournament trees $\widehat{T}_{1},\widehat{T}_{2},\ldots,\widehat{T}_{k}$ where each $\widehat{T}_{i}$ is either the left or the right subtree of $u_{i}$. Since $T$ is balanced, one could easily prove by induction on $i$ that $h(\widehat{T}_{i})\leq 2i-1.$ The $\mathsf{cut}(T,u)$ operation then iteratively joins the trees $\widehat{T}_{1},\ldots,\widehat{T}_{k}$ to form two trees $T_{1}$ and $T_{2}$, where $T_{1}$ contains all leaves to the left of and including $u$, and $T_{2}$ contains all leaves to the right of $u$. We note from (c) that the time required for any $\mathsf{link}$ operation is linear on the height difference between the two trees being joined. The total running time of the sequence of $\mathsf{link}$ operations performed is therefore at most $\displaystyle 2\sum_{i\geq 1}^{k-1}\left(h\left(\widehat{T}_{i+1}\right)-h\left(\widehat{T}_{i}\right)\right)$ $\displaystyle=2\left(h\left(\widehat{T}_{k}\right)-h\left(\widehat{T}_{1}\right)\right)$ $\displaystyle\leq 2(2k-1).$ The value of $k$ is at most $h(T)$ which is bounded by $\log_{\varphi}(n)$. Thus, the total time required for $\mathsf{cut}(T,u)$ is $O(\log(n))$. ∎ ## 4 Layered Tournament Trees In this section we present an alternative solution to the dynamic partial sorting problem, where the running time of $\mathsf{psort}(\ell,k)$ is (almost) independent from $n$. The algorithm uses a data structure that consists of layers of tournament trees, which we call the layered tournament tree (LTT) data structure. Intuitively, the LTT data structure maintains a number of layers that extend downwards, where each layer consists of a number of tournament trees. The tree in the top layer is the tournament tree of $\ell$. A tree in any lower layer stores a principal path in a tree in the layer above. Formally, we make the following definitions. Throughout, let $\ell$ be a list of distinct numbers. ###### Definition 6 Let $T$ be the tournament tree of $\ell$. Let $P=\\{u_{0},u_{1},\ldots,u_{k}\\}$ be a principal path in $T$ where $u_{0}$ is the origin of $P$ and $u_{i+1}=p(u_{i})$ for $0\leq i<k$. We define the team of $P$ as the list of numbers $t=\mathsf{val}(\mathsf{sub}(u_{k})),\mathsf{val}(\mathsf{sub}(u_{k-1})),\ldots,\mathsf{val}(\mathsf{sub}(u_{1})).$ A team in the tournament tree $T$ is a team of some principal path $P$ in $\ell$. Note that only a principal path with more than one element has a team. We generally use the small case letter $t$ to denote a team. ###### Definition 7 We define a layered tournament tree (LTT) of $\ell$ as a set $\Gamma_{\ell}$ of tournament trees that satisfies the following: * • If $\ell$ consists of a single number $x$, then $\Gamma_{\ell}=\\{S\\}$ where $S$ consists of a single node whose value is $x$. * • Otherwise, $\Gamma_{\ell}$ contains a tournament tree $T$ of $\ell$ as well as an LTT $\Gamma_{t}$ for each team $t$in $T$. In other words, $\Gamma_{\ell}=\\{T\\}\cup\bigcup\left\\{\Gamma_{t}\mid t\text{ is a team in }T\right\\}.$ When the list $\ell$ is clear from the context, we drop the subscript writing $\Gamma_{\ell}$ simply as $\Gamma$. We next define layers in a layered tournament tree $\Gamma$ of $\ell$. ###### Definition 8 Let $T$ be a tournament tree in $\Gamma$. We say that * • $T$ is in layer $0$ of $\Gamma$ if $T$ is a tournament tree of $\ell$; and * • $T$ is in layer $i$ of $\Gamma$, where $i>0$, if $T$ is a tournament tree of a team $t$ in a layer-$(i-1)$ tree in $\Gamma$. We call $\ell$ the layer-$0$ team, and the team $t$ mentioned above a layer-$i$ team in $\Gamma$. If a tree $T$ is in layer $i$ of $\Gamma$, we call it a layer-$i$ tree in $\Gamma$. The layer number of $\Gamma$ is the maximum $i\geq 0$ such that a tree is in layer $i$ of $\Gamma$. Let $P$ be a principal path in a layer-$i$ tree of $\Gamma$, where $i\geq 0$ and the length of $P$ is at least 1. By Def. 6 and Def. 8, $\Gamma$ contains a tournament tree $T$ of the team of $P$ in layer-$(i+1)$. We call $T$ the team tree of $P$. The team tree $\mathsf{Team}(u)$ of any node $u$ is the team tree of the principal path containing $u$. Recall that the origin of a principal path $P$ is the leaf in $P$. We introduce the following notions: * • Suppose $u$ is an internal node in a layer-$i$ tree $T\in\Gamma$. We define $\mathsf{down}(u)$ as the origin $v$ of the principal path in the team tree $\mathsf{Team}(u)$ such that $\mathsf{val}(v)=\mathsf{val}(\mathsf{sub}(u))$. * • Suppose $u$ is a leaf in a layer-$i$ tree $T\in\Gamma$ where $i>0$. We define $\mathsf{up}(u)$ as the internal node $v$ in a layer-$(i-1)$ tree such that $\mathsf{down}(v)=u$. This finishes the description of the LTT data structure; see Figure 2 for an example of an LTT. 333395574484644459Layer 07Layer 1668559Layer 289Layer 3 Figure 2: The LTT of the list $\ell=3,9,5,7,8,4,6$. The $\mathsf{up}$ and $\mathsf{down}$ nodes are indicated by a dashed grey line. The layer number is 3. The team of 3 is a list 4,5,9. The team of 5 is a list with a single element 7. The team of 4 is 6,8. These teams form their own team trees at layer 1. Remark. Intuitively the layered tournament tree is similar in concept to a dynamic tree as described by Tarjan and Sleator [14]. However by Def. 8 a dynamic tree has only two layers while a layered tournament tree can have arbitrarily-many. In subsequent sections, we describe the $\mathsf{psort}$, $\mathsf{link}$, $\mathsf{cut}$ and $\mathsf{changeval}$ operations for the LTT data structure. The factors that determine the time complexity of these operations are 1) the height of a layer-$i$ tree in an LTT $\Gamma$ for $i\geq 0$; and 2) the layer number in the LTT $\Gamma$. To analyze the height of a layer-$i$ tree in a LTT $\Gamma$ for any $i\geq 0$, we recall the following function. ###### Definition 9 Let $b>1$ be a real number. The iterated logarithm with base $b$ $\log^{*}_{b}(n)$ of a number $n>b$ is the smallest $i\geq 0$ such that $\underbrace{\log_{b}\cdots\log_{b}}_{i}(n)\leq 1.$ It is known that the iterated logarithm function is defined for all $b\leq e^{1/e}$. The function $\log_{b}^{n}$ is known to be extremely slow-growing; for example, when $b$ is the golden ratio $\varphi$, $\log^{*}_{b}(10^{6})=6$ and $\log^{*}_{b}(10^{10000})=7$. More precisely, $\log^{*}_{b}(n)$ is the inverse of the power tower function with base $b$ defined as $b\uparrow\uparrow n=\underbrace{b^{b^{\iddots^{b}}}}_{n}$ Hence we have the following lemma, which we state without a proof. ###### Lemma 2 For any $b\geq e^{1/e}$, for all $i\geq 0$ we have $\exists n^{\prime}>0\forall n>n^{\prime}:\ \log^{*}_{b}(n)\leq\underbrace{\log_{b}\cdots\log_{b}}_{i}(n).$ ###### Lemma 3 For any $i\geq 1$, the size of any layer-$i$ team is at most $\underbrace{\log_{\varphi}\cdots\log_{\varphi}}_{i}(n)$, where $n$ is the size of the list $\ell$. Furthermore layer number of the LTT data structure is at most $\log^{*}_{\varphi}(n)$. ###### Proof By Lemma 1 the height of any tournament tree is at most $\log_{\varphi}(m)$ where $m$ is the number of leaves in the tree. The first statement of the lemma follows directly from the fact that the number of leaves in a layer-$i$ tree is at most the height of a layer-$(i-1)$ tree in $\Gamma$. The second statement follows directly from the first statement.∎ As an example, suppose the list $\ell$ contains a million numbers. The layer number in the LTT of $\ell$ is at most $\log^{*}_{\varphi}(10^{6})\leq 6$. ## 5 The $\mathsf{psort}(\ell,k)$ Operation With LTT We now describe the algorithm for solving the dynamic partial sorting problem using the LTT data structure. Similarly to Section 3, we assume that a list $\ell$ is represented by an LTT $\Gamma$. More specifically, we assume that the elements of $\ell$ are the leaves of the layer-0 tree in $\Gamma$. In this section we will refer to a list and its LTT interchangeably. All terms that relate to a team tree $T$ carry forward to the corresponding list $\ell$. Hence the nodes, root, leaves, and internal nodes of $\ell$ refer to the equivalent concepts in $T$. We describe the partial sorting operation $\mathsf{psort}(\ell,k)$ on an LTT $\Gamma$ of the list $\ell$. We use $x_{1}<x_{2}<\ldots<x_{n}$ to denote the numbers in $\ell$ in ascending order. Intuitively the algorithm is similar to the $\mathsf{psort}(\ell,k)$ operation described in Section 3. The algorithm searches for and outputs each $x_{i}$ iteratively by exploring the layer-0 tournament tree $T$. The smallest number $x_{1}$ is the value of the root of $T$. If $k=1$ or $\ell$ contains only one element, then the algorithm stops after outputting $x_{1}$. Otherwise, to find the second- smallest number $x_{2}$ in $\ell$, let $P$ be the principal path of the root of $T$. The number $x_{2}$ is the least number in the team of $P$. Unlike Algorithm 1, where we check through the subordinates of all nodes in $P$, here we recursively apply the partial sort operation on the tournament tree of the layer-1 team of $P$. In this way, the search continues in a lower layer. To formally describe the $\mathsf{psort}(\ell,k)$ operation, we use an iterator, which is defined as follows. ###### Definition 10 Let $\ell$ be a list of numbers. An iterator of $\ell$ is a data structure $\mathrm{It}(\ell)$ that supports an operation $\mathsf{next}(\ell)$ with the following property: In the $i$th call to $\mathsf{next}(\ell)$, the operation outputs $x_{i}$ if $i\leq n$; and outputs $\mathsf{null}$ otherwise. An iterator $\mathrm{It}(\ell)$ maintains a priority queue $Q$, which is going to contain nodes in $T$. The $\mathsf{psort}(\ell,k)$ operation amounts to creating an iterator $\mathrm{It}(\ell)$ and calling $\mathsf{next}(\ell)$ $k$ times to obtain the list $x_{1},x_{2},\ldots,x_{k}$. We use $u_{i}$ to denote the leaf with value $x_{i}$ in the layer-0 tree of $\ell$ for $1\leq i\leq n$. For convenience, we consider the output of $\mathsf{next}(\ell)$ to be the leaf $u_{i}$, rather than its value $x_{i}$. To create an iterator for $T$, the algorithm simply creates an empty priority queue $Q$. We describe the $\mathsf{next}(\ell)$ operation by induction on the number of elements in $\ell$. When the operation $\mathsf{next}(\ell)$ is called the first time, we return the origin of $\mathsf{Path}(r)$, where $r$ is the root of $\ell$. In subsequent calls to $\mathsf{next}(\ell)$, if $\ell$ contains only one element, then the algorithm returns $\mathsf{null}$. Suppose $\ell$ contains more than one element, and assume that we have defined iterators of lists with fewer elements than $\ell$. Suppose $i\geq 1$ and we have made $i$ calls to $\mathsf{next}(\ell)$ which outputs the nodes $u_{1},u_{2},\ldots,u_{i}$ . Algorithm 5 implements the $\mathsf{next}(\ell)$ operation for the $(i+1)$th call. Algorithm 5 $\mathsf{next}(\ell)$ (The $(i+1)$th call) 1:if $\mathsf{Team}(u_{i})$ is not empty then 2: Create an iterator $\mathrm{It}(\mathsf{Team}(u_{i}))$ 3: $a\leftarrow\mathsf{next}(\mathsf{Team}(u_{i}))$ 4: Insert $\mathsf{up}(a)$ to $Q$ with value $\mathsf{val}(\mathsf{sub}(a))$ 5:if $Q$ is not empty then 6: $x\leftarrow\mathsf{deletemin}(Q)$ 7: $u_{i+1}\leftarrow$ the origin of $\mathsf{Team}(\mathsf{sub}(x))$ 8: $b\leftarrow\mathsf{next}(\mathsf{Team}(x))$ 9: if $\mathsf{up}(b)\neq\mathsf{null}$ then 10: Insert $\mathsf{up}(b)$ to $Q$ with value $\mathsf{val}(\mathsf{sub}(b))$ 11: Output $u_{i+1}$ 12:else 13: Output $\mathsf{null}$ To show the correctness of the algorithm above, we make the following definition: ###### Definition 11 Let $v$ be a node in a tournament tree $T$. The superordinate of $v$ is a node $\mathsf{sup}(v)$ in $T$ whose subordinate belongs to the principal path $\mathsf{Path}(v)$. The superordinate set of a set $U$ of nodes is $\mathsf{sup}(U)=\\{\mathsf{sup}(v)\mid v\in U\\}.$ For the next definition, we take a set $U$ of nodes in $T$. ###### Definition 12 A node $v$ is an $U$-candidate if there is some $u\in U$ such that $v\in\mathsf{Path}(u)$ and for any $w\in\mathsf{Path}(u)$, $\mathsf{val}(\mathsf{sub}(w))<\mathsf{val}(\mathsf{sub}(v))$ if and only if $w\in\mathsf{sup}(U)$. We denote the set of $U$-candidates as $\mathsf{C}(U)$. ###### Lemma 4 For every $1\leq i<n$, $\mathsf{sup}(u_{i+1})\in\mathsf{C}(\\{u_{1},\ldots,u_{i}\\})$. ###### Proof We prove this lemma by induction on $i$. By definition of the tournament tree $T$, $u_{2}$ is the subordinate of a node $v\in\mathsf{Path}(u_{1})$. Furthermore, $\mathsf{val}(u_{2})$ is the smallest number in the team of $\mathsf{val}(u_{1})$. Hence $\mathsf{sup}(u_{2})\in\mathsf{C}(\\{u_{1}\\})$. Suppose the statement holds for $i\geq 1$. Let $x$ be the superordinate of the node $u_{i+1}$. Our goal is to show that $x\in\mathsf{C}(\\{u_{1},\ldots,u_{i}\\})$. For any node $v\in\mathsf{Path}(x)$, we have $\mathsf{val}(v)<\mathsf{val}(u_{i+1})$ as otherwise $v$ would not be in the same principal path as $x$. Hence the head of the principal path $\mathsf{Path}(x)$ is $u_{j}$ for some $1\leq j\leq i$. Let $w$ be a node in $\mathsf{Path}(x)$. Suppose $\mathsf{val}(\mathsf{sub}(w))<\mathsf{val}(\mathsf{sub}(x))$. Since $\mathsf{val}(\mathsf{sub}(x))=\mathsf{val}(u_{i+1})$, the team of $\mathsf{Path}(\mathsf{sub}(w))$ would contain a number that has smaller value than $u_{i+1}$. Therefore $w$ must be $\mathsf{sup}(u_{j})$ for some $1\leq j\leq i$. This means that $w\in\mathsf{sup}(\\{u_{1},\ldots,u_{i}\\})$. Conversely, suppose $w\in\mathsf{sup}(\\{u_{1},\ldots,u_{i}\\})$. Then by choice of $u_{i+1}$ we have $\mathsf{val}(\mathsf{sub}(w))<\mathsf{val}(u_{i+1})=\mathsf{val}(\mathsf{sub}(x))$. Thus $x$ is in $\mathsf{C}(\\{u_{1},\ldots,u_{i}\\})$. ∎ The next lemma implies the correctness of Alg. 5. ###### Lemma 5 For any $i\geq 1$, the $i$th call to $\mathsf{next}(\ell)$ returns the node $u_{i}$ if $i\leq n$, and $\mathsf{null}$ otherwise. ###### Proof We prove the lemma by induction on the number of times $\mathsf{next}(\ell)$ is called. It is clear that in the first call to $\mathsf{next}(\ell)$, the algorithm returns the node $u_{1}$ which is the origin of the principal path that contains the root of $\ell$. Consider the second call to $\mathsf{next}(\ell)$. If $\ell$ contains only one node $u_{1}$, then $\mathsf{Team}(u_{1})$ does not exist and the priority queue $Q$ is empty at line 5. If $\ell$ contains more than one element, then $\mathsf{Team}(u_{1})$ is defined. At line 5, $Q$ will store the element $x=\mathsf{up}(a)$, where $a=\mathsf{next}(\mathsf{Team}(u_{1}))$ is the node with the smallest value in $\mathsf{Team}(u_{1})$. By definition $\mathsf{C}(\\{v_{1}\\})=\\{x\\}$. For the inductive step, suppose we are running $\mathsf{next}(\ell)$ the $(i+1)$th time, where $i\geq 1$. We assume the following inductive assumption: When the algorithm reaches line 5, 1. (I1) if $\ell$ contains no more than $i$ elements, then the priority queue $Q$ is empty; 2. (I2) if $\ell$ contains at least $i+1$ elements, then the priority queue $Q$ contains exactly those nodes in $\mathsf{C}(\\{u_{1},\ldots,u_{i}\\})$. If $\ell$ contains no more than $i$ elements, then by (I1) the algorithm returns $\mathsf{null}$ and $Q$ remains empty. Now suppose $\ell$ contains at least $i+1$ elements. By (I2), when the algorithm reaches line 5, the priority queue $Q$ contains exactly those nodes in $\mathsf{C}(\\{u-1,\ldots,u_{i}\\})$. Let $x$ be the least element in $Q$. By Lemma 4, $x$ is the superordinate $\mathsf{sup}(u_{i+1})$ of $u_{i+1}$. Thus the algorithm would locate and return the node $u_{i+1}$. We then need to verify that the $\mathsf{next}(\ell)$ operation preserves the inductive invariants (I1) and (I2). It is clear that $(I1)$ holds at line 5 of the $(i+2)$th call to $\mathsf{next}(\ell)$. To verify (I2), let $S$ and $S^{\prime}$ denote the sets of nodes stored in the priority queue $Q$ at line 5 in the $(i+1)$th and the $(i+2)$th call to $\mathsf{next}(\ell)$, respectively. Let $b$ be the leaf that has the next smallest value in $\mathsf{Team}(x)$ after $x$. After we finish the $(i+1)$th call to $\mathsf{next}(\ell)$, $Q$ would store the set $S\setminus\\{x\\}\cup\\{\mathsf{up}(b)\\}$. In the $(i+2)$th call to $\mathsf{next}(\ell)$, before reaching Line 5, the algorithm would add the node $\mathsf{up}(a)$ to $Q$ where $a$ has the least value in $\mathsf{Team}(u_{i+1})$. Therefore we have $S^{\prime}=S\setminus\\{x\\}\cup\\{\mathsf{up}(a),\mathsf{up}(b)\\}=\mathsf{C}(\\{u_{1},\ldots,u_{i},u_{i+1}\\}).$ Hence (I2) is preserved. ∎ As described above, the $\mathsf{psort}(\ell,k)$ operation amounts to creating an iterator of $\ell$ and calling the $\mathsf{next}(\ell)$ operation $k$ times. By Lemma 5, the operation outputs the desired numbers $x_{1},x_{2},\ldots,x_{k}$ in increasing order. Time complexity. We now analyze the time complexity of the $\mathsf{psort}(\ell,k)$ operation. Suppose $t$ is a layer-$i$ team in $\Gamma$. Any call to the $\mathsf{next}(t)$ operation may in turn trigger a sequence of calls to the $\mathsf{next}(t^{\prime})$ operations on teams in lower layers. The algorithm maintains a priority queue for every team for which an iterator is created. Each call to $\mathsf{next}(t)$ performs a fixed number of priority queue operations (such as insert and $\mathsf{deletemin}$), at most two calls to the $\mathsf{next}(t^{\prime})$ operation on some layer-$(i+1)$ team $t^{\prime}$, and a fixed number of other elementary operations. Among these operations, the first call to $\mathsf{next}(t^{\prime})$ occurs immediately after the $(i+1)$-iterator of $t^{\prime}$ is created. This call to $\mathsf{next}(t^{\prime})$ simply involves a pointer lookup and thus takes constant time. Furthermore, by Lemma 1, the number of leaves of the team tree of $t^{\prime}$ is at most $\log_{\varphi}(m)$ where $m$ is the number of elements in $t$. Suppose we perform $k$ calls to $\mathsf{next}(t)$ where $k\geq 1$. Note that for any team $t^{\prime}$ in layer $j>i$, the algorithm would make at most $k-1$ calls to $\mathsf{next}(t^{\prime})$. With every call to $\mathsf{next}(t^{\prime})$, the number of elements stored in the priority queue increases by at most 2. Thus the number of elements stored in any priority queue is at most than $2k$. Therefore, using a heap implementation of priority queues, the time for inserting an element to or deleting the minimum element from the priority queue takes $O(\log(k))$. Summing up the above costs over all $k$ calls, the operations perform $O(k)$ number of priority queue operations, $k-1$ calls to $\mathsf{next}$ on trees in a layer down, and other operations that take a total of $O(k)$ time. We use $\mu(k,m)$ to denote the time taken by $k$ calls to $\mathsf{next}(t)$ where the team tree of $t$ has $m$ leaves. Assuming an efficient priority queue implementation, there is a constant $d>0$ such that. $\mu(k,m)\leq\begin{cases}dk\log k+\mu(k-1,\log_{\varphi}(m))&\text{if $m>1$;}\\\ d&\text{otherwise.}\end{cases}$ (1) ###### Lemma 6 The $\mathsf{psort}(\ell,k)$ operation runs in time $O(\log^{*}_{\varphi}(n)k\log(k))$ where $n$ is the size of the list $\ell$. ###### Proof The $\mathsf{psort}(\ell,k)$ operation makes $k$ calls to the $\mathsf{next}(\ell)$ operation. Therefore the running time of $\mathsf{psort}(\ell,k)$ is $\mu(k,n)$ where $n$ is the size of $\ell$. By (1) we get $\mu(k,n)\leq dk\log(k)+d(k-1)\log(k)+d(k-2)\log(k)+\cdots+d(k-s+1)\log(k)+d,$ where $n$ is the number of elements in $\ell$ and $s$ is layer number of $\Gamma$. By Lemma 3, $s\leq\log^{*}_{\varphi}(n)$. Therefore the total time taken by $\mathsf{psort}(\ell,k)$ is $O(\log^{*}_{\varphi}(n)k\log(k))$.∎ ## 6 The Update Operations With LTT We describe the update operations assuming that all lists are represented by the LTT data structure. Unless stated otherwise, all occurrences of $\mathsf{link},\mathsf{cut}$ and $\mathsf{changeval}$ refer to the update operations defined in this section, but not to the operations with the same names in Section 3. As explained in Section 5, the arguments of the $\mathsf{link}$, $\mathsf{cut}$ and $\mathsf{changeval}$ operations consist of LTTs (representing lists) and leaves in the layer-0 tree of the corresponding LTTs (representing elements in the lists). In the following we define the $\mathsf{link}(\ell,\ell^{\prime})$, $\mathsf{cut}(\ell,x)$ and $\mathsf{changeval}(\ell,x,x^{\prime})$ operations by induction on the maximum layer number in the argument LTTs $\ell,\ell^{\prime}$. If an LTT consists of only one layer, it contains only one node. Therefore the $\mathsf{cut}$ and $\mathsf{changeval}$ operations performed on such an LTT are trivial. To perform the $\mathsf{link}(\ell,\ell^{\prime})$ operation where both $\ell,\ell^{\prime}$ consist of one layer, we create a new node $v$ and set $\mathsf{le}(v)$ and $\mathsf{ri}(v)$ as $\ell$ and $\ell^{\prime}$ respectively in the layer-0 tree, and create a layer-1 tree with a single node whose value is the larger of the values of the nodes in $\ell$ and $\ell^{\prime}$. In subsequent sections we define the $\mathsf{changeval}(\ell,x,x^{\prime})$, $\mathsf{link}(\ell,\ell^{\prime})$ and $\mathsf{cut}(\ell,x)$ operations where $\ell$ and $\ell^{\prime}$ have more than one layer. The inductive hypothesis assumes correct implementation of $\mathsf{link}$ and $\mathsf{cut}$ on LTTs with fewer layers. ### 6.1 The $\mathsf{expose}(\ell,u)$ and $\mathsf{changeval}(\ell,u,x^{\prime})$ Operation The $\mathsf{changeval}(\ell,x,x^{\prime})$ operation assumes that $x$ is a leaf in the layer-0 tree of the LTT representing $\ell$ and changes its value to $x^{\prime}$. Note that after changing the value of $x$ to $x^{\prime}$, the LTT structure may be broken. Thus we should apply other procedures to preserve the LTT. This is achieved using an $\mathsf{expose}(\ell,u)$ operation where $u=p(x)$. Intuitively, the $\mathsf{expose}(\ell,u)$ operation is a “fix up” operation that maintains the LTT structure on the path from $u$ to the root of the tree, once a change has occurred on a child. It walks the path from $u$ to the root, and performs the following procedures in each step: It first separates $u$ from its principal path from below, so that both its left child $\mathsf{le}(u)$ and right child $\mathsf{ri}(u)$ are detached from the principal path of $u$. It then links the smaller of $\mathsf{le}(u)$ and $\mathsf{ri}(u)$ with the principal path of $u$ and sets $\mathsf{val}(u)$ as the smaller value of its children. Finally, it repeats the same process to set $p(u)$ as the new $u$. To separate and link the principal paths mentioned above, we use the $\mathsf{cut}$ and $\mathsf{link}$ operations on the team trees of the corresponding principal paths. Note that in the above operation, we may change the subordinate of $u$. This requires us to change the value of $\mathsf{down}(u)$ in the team tree $\mathsf{Team}(u)$, which can be performed by calling $\mathsf{changeval}(\mathsf{Team}(u),\mathsf{down}(u),\mathsf{max}\\{\mathsf{le}(u),\mathsf{ri}(u)\\})$ recursively. Note that the team trees used as arguments of the $\mathsf{cut},\mathsf{link}$ operations and the recursive call to $\mathsf{changeval}$ have strictly fewer layers than $\ell$. Thus, by the inductive hypothesis, these operations have been defined. For an exact description, see Algorithm 6. Algorithm 6 $\mathsf{expose}(\ell,u)$ 1:$x\leftarrow u$ 2:while $x\neq\mathsf{null}$ do 3: $(z,z^{\prime})\leftarrow(\mathsf{le}(x),\mathsf{ri}(x))$ if $\mathsf{val}(\mathsf{le}(x))<\mathsf{val}(\mathsf{ri}(x))$; otherwise $(z,z^{\prime})\leftarrow(\mathsf{ri}(x),\mathsf{le}(x))$ 4: $\mathsf{val}(x)\leftarrow\mathsf{val}(z)$ 5: $T_{1},T_{2}\leftarrow$ $\mathsf{cut}$($\mathsf{Team}(x),\mathsf{down}(x)$) 6: $T_{1}\leftarrow$ $\mathsf{link}$($T_{1},\mathsf{Team}(z)$) 7: $\mathsf{changeval}$($T_{1},\mathsf{down}(x),\mathsf{val}(z^{\prime})$) $\triangleright$ Change the value of $\mathsf{down}(x)$ in the layer below 8: $x\leftarrow p(x)$ We now analyze the correctness of the $\mathsf{expose}(\ell,u)$ operation. More specifically, let $v$ be an internal node in the LTT data structure. We use the following invariants: 1. (J1) $\mathsf{val}(v)=\mathsf{min}\\{\mathsf{val}(\mathsf{le}(v)),\mathsf{val}(\mathsf{ri}(v))\\}$ 2. (J2) $\mathsf{val}(\mathsf{down}(v))=\mathsf{val}(\mathsf{sub}(v))$ 3. (J3) If $v$ has a child $v^{\prime}$ that is an internal node and $\mathsf{val}(v)=\mathsf{val}(v^{\prime})$, then $\mathsf{down}(v),\mathsf{down}(v^{\prime})$ belong to the same team tree $\mathsf{Team}(v)$ and $\mathsf{down}(v)$ is to the left of $\mathsf{down}(v^{\prime})$ in $\mathsf{Team}(v)$. Intuitively, the three invariants state that the LTT structure is maintained. Indeed, (J1) states that the value of $v$ is assigned according to the tournament tree property, (J2) states that $\mathsf{down}(v)$ has the correct value, and (J3) states that the team tree of $\mathsf{down}(v)$ is correctly maintained. ###### Definition 13 Let $v$ be a node in the LTT data structure of $\ell$. The parent-down closure of $v$ is the minimal set $\mathsf{Pd}(v)$ of nodes in the LTT that contains $v$ and for any node $w\in\mathsf{Pd}(v)$, 1. 1. $p(w)\in\mathsf{Pd}(v)$ if $w$ is not the root of a tree; and 2. 2. $\mathsf{down}(w)\in\mathsf{Pd}(v)$ if $w$ is not a leaf in a tree. Note that the $\mathsf{expose}(\ell,u)$ operation may only update the values, as well as split and join team trees, for nodes in the set $\mathsf{Pd}(u)$. Hence intuitively, $\mathsf{Pd}(u)$ denotes the “region of operation” in the LTT $\ell$ of $\mathsf{expose}(\ell,u)$. For the next lemma, recall that we assume by the inductive hypothesis that a correct implementation of $\mathsf{link}$ and $\mathsf{cut}$ can be called on LTTs with fewer layers than $\ell$. ###### Lemma 7 After running $\mathsf{expose}(\ell,u)$, (J1)–(J3) hold for every node $v\in\mathsf{Pd}(u)$. ###### Proof The proof proceeds by induction on the number of layers in $\ell$. The statement is clear for $\ell$ with a single layer (which consists of only one node). Now suppose $\ell$ contains $m$ layers where $m>1$. Take a node $v\in\mathsf{Pd}(u)$ that is in layer-0 of the LTT $\ell$. Then $v$ is set as $x$ by some iteration of the $\mathsf{while}$-loop. During this iteration, (J1) holds after running Line 4, (J2) holds after running Line 7 and (J3) holds after running Line 6 for the node $v$. Suppose that (J1)–(J3) hold for all nodes in $\mathsf{Pd}(u)$ on some layer-$i$ and $v\in\mathsf{Pd}(u)$ is an internal node in a layer-$(i+1)$ tree of the LTT data structure. Then by definition of $\mathsf{Pd}(u)$, there is some leaf $w$ in the subtree rooted at $v$ such that $w=\mathsf{down}(w^{\prime})$ for some $w^{\prime}\in\mathsf{Pd}(u)$. Let $w$ be the rightmost leaf with this property. The algorithm must have made a call $\mathsf{changeval}(T_{1},w,\mathsf{val}(z^{\prime}))$ during its execution. In this call to $\mathsf{changeval}$, the $\mathsf{while}$-loop visits $v$ and make (J1)–(J3) hold for $v$ using Line 4, Line 7 and Line 6 respectively. ∎ ### 6.2 The $\mathsf{link}(\ell,\ell^{\prime})$ and $\mathsf{cut}(\ell,x)$ Operations The $\mathsf{link}(\ell,\ell^{\prime})$ operation is performed similarly to linking two balanced binary search trees. The operation compares the layer-0 trees of $\ell$ and $\ell^{\prime}$ and links the tree with a smaller height as a subtree of the other. Before we describe the $\mathsf{link}(\ell,\ell^{\prime})$ operation, we describe the tree rotation operation for LTTs, which is an important subroutine. Here, we describe the left rotation $\mathsf{rotateleft}(\ell,u)$, where $u$ is a right child in an LTT $\ell$; the right rotation operation is symmetric. To perform $\mathsf{rotateleft}(\ell,u)$, we first separate both $u$ and its parent $p(u)$ from the rest of their principal paths from above and below. We then perform the left rotation on $u$ as if for a normal binary tree. Lastly, we restore the principal paths of $p(u)$ by calling the $\mathsf{expose}(\ell,p(u))$ operation. This will fix the principal paths we separated in this operation and preserve the structure of the LTT. See Algorithm 7. Algorithm 7 $\mathsf{rotateleft}(\ell,u)$ 1:$y\leftarrow p(u)$; 2:if $y$ is not the root then 3: $\mathsf{cut}$($\mathsf{Team}(p(y)),\mathsf{down}(p(y))$) $\triangleright$ Separate $y$ from above 4:$\mathsf{cut}$($\mathsf{Team}(y),\mathsf{down}(y)$) $\triangleright$ Separate $y$ from below 5:$\mathsf{cut}$($\mathsf{Team}(u),\mathsf{down}(u)$) $\triangleright$ Separate $u$ from below 6:$\mathsf{ri}(y)\leftarrow\mathsf{le}(u)$; $\mathsf{le}(u)\leftarrow y$ $\triangleright$ Perform the left rotation on $u$ 7:$\mathsf{expose}$($\ell,y$) The following lemma is implied from Lemma 7 and the proof is straightforward. ###### Lemma 8 Let $y$ be the parent of $u$. After running $\mathsf{rotateleft}(\ell,u)$, (J1)–(J3) hold for every node $v\in\mathsf{Pd}(y)$. We now describe the $\mathsf{link}(\ell,\ell^{\prime})$ operation. For simplicity in this section we only describe the case when the layer-0 tree of $\ell$ has a greater or equal height than the layer-0 tree of $\ell^{\prime}$; the other case is symmetric. We first find a node $u$ on the rightmost path in the layer-0 tree of $\ell$ such that $T(u)$ has the same height as the layer-0 tree $T^{\prime}$ of $\ell^{\prime}$. We then create a new node $v$, making it a child of $p(u)$ if $u$ is not the root, and set $T(u)$ as $v$’s left subtree and $T^{\prime}$ as $v$’s right subtree. We then fix the principal paths by calling $\mathsf{expose}$ on $v$. This operation may leave the resulting layer-0 tree unbalanced. Hence we walk the path from $v$ to the root and find a node $y$ on this path such that the subtree $T(p(y))$ is unbalanced, and we call $\mathsf{rotateleft}$ on $y$. See Algorithm 8. This finishes the description of the $\mathsf{link}(\ell,\ell^{\prime})$ operations. Note that inside this operation, all recursive subroutine calls to $\mathsf{link}$ and $\mathsf{cut}$ are made on argument LTTs with fewer layers than $\ell$, and are thus defined by the inductive hypothesis. Algorithm 8 $\mathsf{link}(\ell,\ell^{\prime})$ 1:$T,T^{\prime}\leftarrow$ the layer-$0$ tournament trees of $\ell,\ell^{\prime}$ respectively 2:$r_{1},r_{2}\leftarrow$ the roots of $T,T^{\prime}$ respectively 3:Follow $\mathsf{ri}$ pointers from $r_{1}$ to find $u$ such that $T(u)$ and $T^{\prime}$ have the same height 4:Create a new node $v$ and the corresponding node $\mathsf{down}(v)$ in the layer below 5:$p(v)\leftarrow p(u)$ 6:$\mathsf{le}(v)\leftarrow u$; $\mathsf{ri}(v)\leftarrow r_{2}$ 7:$\mathsf{expose}$($\ell,v$) 8:Following $p$ pointers from $v$ until we reach $y$ such that $T(p(y))$ is unbalanced 9:If such $y$ exists, $\mathsf{rotateleft}$($\ell,y$) We perform the $\mathsf{cut}(\ell,u)$ operation in a similar way as Alg. 4 in Section 3. The operation first calls $\mathsf{changeval}$ on $u$ to assign it a value smaller than all numbers in $\ell$ (we call it $-\infty$ for convenience). In this way, all nodes on the path from $u$ to the root form a principal path. The operation then walks the path from $u$ to the root, joining all subtrees to its left into a new tree and all subtrees to its right into another new tree. Finally it restores the value of $u$ and joins $u$ to the first new tree. We perform all the joining of trees using the $\mathsf{link}$ operation; see Alg. 9. Algorithm 9 $\mathsf{\mathsf{cut}}(\ell,u)$ 1:$a\leftarrow\mathsf{val}(u)$; $\mathsf{changeval}$($\ell,u,-\infty$) 2:$x\leftarrow p(u)$; $y\leftarrow u$ 3:Create two empty tournament trees $T_{1},T_{2}$ 4:while $x\neq\mathsf{null}$ do 5: if $y=\mathsf{le}(x)$ then 6: $T_{2}\leftarrow$ $\mathsf{link}$($T_{2},T(\mathsf{ri}(x))$) 7: else 8: $T_{1}\leftarrow$ $\mathsf{link}$($T(\mathsf{le}(x)),T_{1}$) 9: $y\leftarrow x$; $x\leftarrow p(x)$ 10:$\mathsf{val}(u)\leftarrow a$; $\mathsf{link}$($T_{1},u$) $\triangleright$ Link $T_{1}$ with the restored $u$ ### 6.3 Time Complexity of the Update Operations We now analyze the time complexity of the update operations. For any list $\ell$ with $n$ elements, we define $s_{i}(n)$ as the maximum number of elements of a layer-$i$ team in the LTT of $\ell$. It is clear that $s_{0}(n)=n$. By Lemma 3, for all $n>0$ we have $\displaystyle s_{\log^{*}_{\varphi}(n)}(n)=1,\text{ and }$ $\displaystyle\forall i\geq 0:\ s_{i+1}(n)\leq\log_{\varphi}(s_{i}(n))$ (2) For convenience, we set $s_{i}(n)=1$ for all $i>\log^{*}_{\varphi}(n)$. We will express the complexity of the update operations using the variables $s_{i}(n)$. ###### Lemma 9 For any $i\geq 0$, there is a constant $n_{0}>0$ such that for all $n>n_{0}$ we have $\prod_{j\geq i+1}s_{j}(n)\leq s_{i}(n)$ ###### Proof As $s_{j}(n)=1$ for all $n>0$ and $j\geq\log_{\varphi}^{*}(n)$, the statement is clear for $i\geq\log_{\varphi}^{*}(n)-1$. The proof proceeds by induction on $i$. Fix $0<i<\log_{\varphi}^{*}(n)$ and suppose there is $n_{0}$ such that the statement holds for all $n>n_{0}$. Then for all $n\geq n_{0}$ we have $\displaystyle\prod_{j\geq i}s_{j}(n)$ $\displaystyle=s_{i}(n)\cdot\prod_{j\geq i}s_{j}(n)$ $\displaystyle\leq s^{2}_{i}(n)$ (by the ind. hyp.) $\displaystyle\leq\log^{2}_{\varphi}(s_{i-1}(n))$ (by (2)) Take $n^{\prime}$ such that $\log^{2}_{\varphi}(s_{i-1}(n^{\prime}))\leq s_{i-1}(n^{\prime}).$ Then for all $n\geq\mathsf{max}\\{n^{\prime},n_{0}\\}$ $\prod_{j\geq i}s_{j}(n)\leq\log^{2}_{\varphi}(s_{i-1}(n))\leq s_{i}(n).$ ∎ Recall that the $\mathsf{expose}(\ell,u)$ operation performs a number of iterations. We analyze the running time of each iteration separately. Without loss of generality, we assume in the next lemma that the list $\ell$ contains no fewer elements than $\ell^{\prime}$. ###### Lemma 10 Let $n$ be the number of elements in the list $\ell$. The following hold for the update operations: 1. (a) Each iteration of $\mathsf{expose}(\ell,u)$ runs in time $O\left(s_{2}^{2}(n)\right)$. 2. (b) The $\mathsf{expose}(\ell,u)$ and $\mathsf{changeval}(\ell,u,x^{\prime})$ operations run in time $O\left(s_{1}(n)s_{2}^{2}(n)\right)$. 3. (c) The $\mathsf{join}(\ell,\ell^{\prime})$ operation runs in time $O\left(d(\ell,\ell^{\prime})\cdot s_{2}^{2}(n)\right)$ where $d(\ell,\ell^{\prime})$ is the height difference between the layer-0 trees of $\ell$ and $\ell^{\prime}$. 4. (d) The $\mathsf{cut}(\ell,u)$ operation runs in time $O\left(s_{1}(n)s_{2}^{2}(n)\right)$. ###### Proof We prove the lemma by induction on the layer number of $\ell$. The statements are clear if $\ell$ consists of a single layer. For the case when $\ell$ has more than one layer, we prove each statement as follows: 1. (a) We use $\mathsf{T}_{\mathsf{exp}}(n,0)$ to denote the maximal running time of each iteration of $\mathsf{expose}(\ell,u)$. It is clear that the number of iterations is bounded by the length of the path from $u$ to the root, which is at most $s_{1}(n)$. Hence the total running time of $\mathsf{expose}(\ell,u)$ is $s_{1}(n)\mathsf{T}_{\mathsf{exp}}(n,0)$. Note also that each iteration of $\mathsf{expose}(\ell,u)$ may make a recursive call to $\mathsf{expose}$ on a team in the layer below, and this recursive call may trigger further recursive calls to $\mathsf{expose}$ on lower layers of the LTT. Thus for $0\leq i\leq\log^{*}_{\varphi}(n)$ and any layer-$i$ team $t$, we define $\mathsf{T}_{\mathsf{exp}}(n,i)$ as the maximal running time of an iteration in a recursive call $\mathsf{expose}(t,v)$ that is made within $\mathsf{expose}(\ell,u)$. Since the recursive call $\mathsf{expose}(t,v)$ consists of at most $s_{i+1}(n)$ iterations, the total running time of $\mathsf{expose}(t,v)$ is at most $s_{i+1}(n)\mathsf{T}_{\mathsf{exp}}(n,i)$. To prove (a), we prove by induction on $i$ that $\mathsf{T}_{\mathsf{exp}}(n,i)$ is $O(s_{i+2}^{2}(n))$ for all $0\leq i\leq\log_{\varphi}^{*}(n)$. It is clear that $\mathsf{T}_{\mathsf{exp}}\left(n,\log^{*}_{\varphi}(n)\right)=1$. Now suppose $t$ is a layer-$i$ team where $i<\log^{*}_{\varphi}(n)$. Each iteration in a recursive call $\mathsf{expose}(t,v)$ makes one call to $\mathsf{cut}$ and one call to $\mathsf{link}$. Both of these subroutine calls are made on teams in the next layer down, which by the inductive hypothesis takes $O(s_{i+2}(n)s^{2}_{i+3}(n))$. The iteration also recursively calls $\mathsf{expose}$ on a team in the next layer down. By the above argument this takes $s_{i+2}(n)\mathsf{T}_{\mathsf{exp}}(n,i+1)$. Lastly the iteration also performs a fixed number of other elementary operations. Therefore we obtain the following expression for $0\leq i<\log^{*}_{\varphi}(n)$: $\mathsf{T}_{\mathsf{exp}}(n,i)\leq c_{1}s_{i+2}(n)s^{2}_{i+3}(n)+s_{i+2}(n)\mathsf{T}_{\mathsf{exp}}(n,i+1)+c_{2}$ where $c_{1},c_{2}>0$ are constants. For convenience we drop the parameter $n$ in the above expression to get $\mathsf{T}_{\mathsf{exp}}(i)\leq c_{1}s_{i+2}s^{2}_{i+3}+s_{i+2}\mathsf{T}_{\mathsf{exp}}(i+1)+c_{2}$ (3) Applying telescoping on (3), we obtain $\displaystyle\mathsf{T}_{\mathsf{exp}}(0)\leq\ $ $\displaystyle c_{1}s_{2}s_{3}^{2}+c_{1}s_{2}s_{3}s^{2}_{4}+\cdots+c_{1}s_{2}\cdots s_{\log^{*}_{\varphi}(n)}s_{\log^{*}_{\varphi}(n)+1}s^{2}_{\log^{*}_{\varphi}(n)+2}$ $\displaystyle+c_{2}+c_{2}s_{2}+\cdots+c_{2}s_{2}\ldots s_{\log_{\varphi}^{*}(n)}$ $\displaystyle\leq\ $ $\displaystyle c_{1}\sum_{i=1}^{\log^{*}_{\varphi}(n)}\left(s_{i+2}\prod_{j=2}^{i+2}s_{j}\right)+c_{2}\sum_{i=2}^{\log^{*}_{\varphi}(n)}\prod_{j=2}^{i}s_{j}$ $\displaystyle\leq\ $ $\displaystyle c_{1}\sum_{i=1}^{\log^{*}_{\varphi}(n)}s_{2}s_{3}^{2}s_{i+2}+c_{2}\log^{*}_{\varphi}(n)s_{2}s^{2}_{3}$ (by Lemma 9) $\displaystyle\leq\ $ $\displaystyle c_{1}\log^{*}_{\varphi}(n)s_{2}s_{3}^{3}+c_{2}\log^{*}_{\varphi}(n)s_{2}s^{3}_{3}$ Hence the running time of a single iteration in $\mathsf{expose}(\ell,u)$ is $O(\log^{*}_{\varphi}(n)s_{2}(n)s_{3}^{3}(n))$. By Lemma 2, $\log^{*}_{\varphi}(n)$ is $O(s_{3}(n))$ and thus $\mathsf{T}_{\mathsf{exp}}(n,0)$ is $O(s_{2}(n)s_{3}^{4}(n))$, which by (2), is $O(s_{2}^{2}(n))$. 2. (b) This statement follows directly from (a) and the fact that the maximum number of iterations performed by the $\mathsf{expose}(\ell,u)$ operation is $s_{1}(n)$. 3. (c) For the $\mathsf{link}(\ell,\ell^{\prime})$ operation we use the following inductive hypothesis: Any calls to $\mathsf{cut}$ and $\mathsf{expose}$ on teams at layer-1 of the LTT $\ell$ takes time $cs_{2}(n)s_{3}^{2}(n)$ for some constant $c>0$. Let $T$ and $T^{\prime}$ be the top layer trees of $\ell$ and $\ell^{\prime}$ respectively and $d(\ell,\ell^{\prime})$ be the height difference between $T$ and $T^{\prime}$. Recall that the $\mathsf{link}(\ell,\ell^{\prime})$ operation finds a node $u$ on the rightmost path of $T$ such that $T(u)$ and $T^{\prime}$ have the same height and links $T(u)$ and $T^{\prime}$ to a new node below this node. Hence the $\mathsf{expose}(\ell,v)$ operation in $\mathsf{link}(\ell,\ell^{\prime})$ consists of $d(\ell,\ell^{\prime})$ iterations. By (a), this call to $\mathsf{expose}(\ell,v)$ takes time $c_{1}\cdot d(\ell,\ell^{\prime})\cdot s_{2}^{2}(n)$, where $c_{1}$ is a constant. The $\mathsf{link}(\ell,\ell^{\prime})$ operation also makes a call to $\mathsf{rotateleft}(\ell,y)$ which consists of three calls to $\mathsf{cut}$ and one call to $\mathsf{expose}$ on teams at a lower layer. By the inductive hypothesis, these subroutine calls to takes time $c_{2}s_{2}(n)s_{3}^{2}(n)$ for some constant $c_{2}>c$. The $\mathsf{link}(\ell,\ell^{\prime})$ operation also performs $O(d(\ell,\ell^{\prime}))$ many other elementary operations. Therefore the running time of $\mathsf{link}(\ell,\ell^{\prime})$ is at most $c_{1}d(\ell,\ell^{\prime})s_{2}^{2}(n)+c_{2}s_{2}(n)s_{3}^{2}(n)+c_{3}d(\ell,\ell^{\prime}).$ Note that we may pick $c$ to be bigger than $c_{1}+c_{3}$ and therefore the above expression is at most $(c_{1}+c_{3})d(\ell,\ell^{\prime})s_{2}^{2}(n)+c_{2}s_{2}(n)s_{3}^{2}(n)$ which is at most $c\cdot d(\ell,\ell^{\prime})\cdot s_{2}^{2}(n)$ when $n$ is sufficiently large. Therefore the running time for $\mathsf{link}(\ell,\ell^{\prime})$ is $O(d(\ell,\ell^{\prime})s_{2}^{2}(n))$. 4. (d) Let $T$ be the top-layer tree of $\ell$. The cut operation first makes a call to $\mathsf{changeval}(T,u,-\infty)$, which by (b) takes time $O\left(s_{1}(n)s^{2}_{2}(n)\right)$. It then walks the path from $u$ to the root. Let $P=\\{u_{0},u_{1},\ldots,u_{m}\\}$ be the path in $T$ from $u_{0}=u$ to the root of $T$ where $u_{i+1}=p(u_{i})$ for all $0\leq i<m$. It is clear that $m\leq s_{1}(n)$ and thus the traversal itself takes time $O(s_{1}(n))$. By Alg. 9, the $\mathsf{cut}(\ell,u)$ operation separates $T$ into a collection of trees $\widehat{T}_{1},\widehat{T}_{2},\ldots,\widehat{T}_{k}$ where each $\widehat{T}_{i}$ is either the left or the right subtree of $u_{i}$. As $T$ is balanced, one could easily prove by induction on $i$ that $h\left(\widehat{T}_{i}\right)\leq 2i-1.$ The $\mathsf{cut}(\ell,u)$ operation then iteratively joins the trees $\widehat{T}_{1},\widehat{T}_{2},\ldots,\widehat{T}_{k}$ to form two trees $T_{1}$ and $T_{2}$. Let $n_{i}$ be the number of leaves in the tree $\widehat{T}_{i}$. By (c) the total running time of the sequence of $\mathsf{link}$ operations performed is at most $\displaystyle\ 2\sum_{i\geq 1}^{m-1}\left(h\left(\widehat{T}_{i+1}\right)-h\left(\widehat{T}_{i}\right)\right)\cdot s^{2}_{2}\left(n_{i+1}\right)$ $\displaystyle\leq$ $\displaystyle\ 2\sum_{i\geq 1}^{m-1}\left(h\left(\widehat{T}_{i+1}\right)-h\left(\widehat{T}_{i}\right)\right)\cdot s^{2}_{2}(n)$ $\displaystyle\leq$ $\displaystyle\ 2\left(h\left(\widehat{T}_{m}\right)-h\left(\widehat{T}_{1}\right)\right)\cdot s^{2}_{2}(n)$ $\displaystyle\leq$ $\displaystyle\ 2s_{1}(n)s^{2}_{2}(n).$ Therefore the overall running time of the $\mathsf{cut}(\ell,u)$ operation is $O\left(s_{1}(n)s^{2}_{2}(n)\right)$. ∎ ###### Theorem 6.1 There is an algorithm that solves the dynamic partial sorting problem which performs the $\mathsf{psort}(\ell,k)$ operation in time $O(\log^{*}_{\varphi}(n)k\log k)$, and performs the $\mathsf{link}(\ell,\ell^{\prime})$, $\mathsf{cut}(\ell,x)$ and $\mathsf{changeval}(\ell,x,x^{\prime})$ operations in time $O\left(\log(n)\cdot\log^{2}(\log(n))\right)$, where $n$ is the size of the list $\ell$. ###### Proof The correctness of the $\mathsf{psort}(\ell,k)$ operation follows from Lemma 5. For correctness of the update operation, assume that (J1)–(J3) hold for every node in the LTT data structure. Suppose we perform the $\mathsf{changeval}(\ell,u,x^{\prime})$ operation. Since $u$ is a leaf in $\ell$, by Lemma 7, (J1)–(J3) still hold for every node in the LTT. Suppose we perform the $\mathsf{link}(\ell,\ell^{\prime})$ operation. The $\mathsf{expose}(\ell,v)$ operation in Line 7 in Alg. 8 preserves (J1)–(J3) for every node. If the operation performs $\mathsf{rotateleft}(\ell,y)$ in Line 9, then by Lemma 8 (J1)–(J3) also hold for every node and thus $\mathsf{link}(\ell,\ell^{\prime})$ is correct. Lastly, suppose we perform the $\mathsf{cut}(\ell,u)$ operation. Then (J1)–(J3) still hold by the correctness of $\mathsf{changeval}$ and $\mathsf{join}$. The complexity of the $\mathsf{psort}(\ell,k)$ operations follows directly from Lemma 6. The complexity of the update operations follows from Lemma 10 and Lemma 3.∎ ## 7 Conclusion and Future Work This paper presents data structures for solving the dynamic partial sorting problem.We propose here two possible directions of optimizing the layered tournament trees: on query size and on intervals. In both cases, we seek to perform optimizations by determining an optimal query size or interval, and then creating a data structure which performs this query optimally. This is similar in principle to optimized BSTs as presented in [4]. We can perform these optimizations either statically or dynamically. In the case of optimizing for query size, in the static case, we have a table of queries and the probability that a query will have that length (similarly to the optimal BST). We then determine an expected query length, and make a structure to perform queries of that length optimally. In the dynamic case, the structure keeps track of query probabilities, and dynamically rebuilds itself when the expected query length changes. When optimizing for intervals, one would take a similar approach, except to optimize access to a particular interval or set of intervals that are frequently queried. As the layered tournament tree structure is designed for very large data sets, other optimizations to consider for the structure are parallelism, external memory use optimization, and persistence (as described in [6]). In particular, the first two of these are suitable for extremely large data sets, and require different analysis of the structure, and likely a different implementation as well. ## References * [1] Andersson, A., Fagerberg, R., Larsen, K.: Balanced Binary Search Trees. In: Mehta, D., Sahni, S., eds: Handbook of Data Structures and Applications, 182–205, 2002 * [2] Bordim, J., Nakano, K., Shen, H.: Sorting on Single-Channel Wireless Sensor Networks. In: Hsu, F., Ibarra, H., Saldaña, R., eds, Proc. of the International Symposium on Parallel Architectures, Algorithms and Networks (I-SPAN’02), 133–138, 2002 * [3] Duch, A., Jiménez, R., Martínez, C.: Selection by rank in $k$-dimensional binary search trees. In: Random Structures and Algorithms, appeared online 2012 * [4] Cormen, T., Leiserson, C., Rivest, R., Stein, C.: Introduction to Algorithms, the MIT Press. 356–369, 2002 * [5] Floyd, R., Rivest, R.: Expected time bounds for selection. In: Communications of the ACM 18(3). 165–172, 1975 * [6] Haim, K.: Persistent Data Structures. In: Mehta, D., Sahni, S., eds: Handbook of Data Structures and Applications, 182–205, 2002 * [7] Hoare, C.: Quicksort. Computer Journal, 5:10–15, 1962. * [8] Huang, H., Tsai, T., Quickselect and the Dickman function. In: Combinatorics, Probability and Computing 11(4), 353–371, 2000 * [9] Jiménez, R., Martínez, C.: Interval Sorting. In: Proceedings of the 37th International Colloquium on Automata, Languages and Programming (ICALP 2010), Part I, 238–248, 2010 * [10] Knuth, D.: The Art of Computer Programming, Sorting and Searching, Volume 3, 141–142, 1998 * [11] Kuba, M.: On Quickselect, partial sorting and Multiple Quickselect. In: Information Processing Letters 99(5), 181–186, 2006 * [12] Martínez, C.: Partial quicksort. In: Arge, L., Italiano, G., Sedgewick, R., eds. Proc. of the 6th ACM-SIAM Workshop on Algorithm Engineering and Experiments (ALENEX) and the 1st ACM-SIAM Workshop on Analytic Algorithmics and Combinatorics (ANALCO), 224–228, 2004 * [13] Navarro, G., Paredes, R.: On Sorting, Heaps and Minimum Spanning Trees. In: Algorithmica 57(4), 585–620, 2010 * [14] Sleator, D., Tarjan, R.: Self-Adjusting Binary Search Trees. In: Journal of the ACM 32(3), 625–686, 1985
arxiv-papers
2014-02-12T01:36:36
2024-09-04T02:49:58.137717
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Jiamou Liu and Kostya Ross", "submitter": "Jiamou Liu", "url": "https://arxiv.org/abs/1402.2712" }
1402.2878
# Number of unique Edge-magic total labelings on Path $P_{n}$ Mukkai S. Krishnamoorthy Rensselaer Polytechnic Institute, Troy, NY Allen Lavoie Washington University, St. Louis, MO Ali Dasdan, Hypergrowth, San Fransico Bay Area, CA Bharath Santosh Rennselaer Polytechnic Institute, Troy, NY ###### Abstract Edge-magic total labeling was introduced by [2]. The number of edge-magic solutions for cycles have been explored in [1]. This sequence is mentioned in On Line Encyclopedia of Integer Sequences (OEIS) [3]. In this short note, we enumerate the number of unique edge-magic total labelings on Path $P_{n}$ ## 1 Introduction Edge-magic labeling (EMTL) has been studied in the past with an application towards communication networks. Given a simple undirected graph $G=(V,E)$, let $\lambda$ be a mapping from the numbers $1,2,\cdots,|V|+|E|$ to the vertices and edges of graph G, such that each element has an unique label. The weight of an edge is obtained as the sum of the labels of that edge and its two end vertices. An edge-magic total labeling is labeling in which the weight of every edge is the same. The weight of the each edge is said to be a magic constant. Figure 1 illustrates an example for a path of length 5 with a magic constant of 16. Figure 1: Path of length 5 Paper by Wallis et al [4] describes existence of edge-magic total labeling of many types of graphs including $P_{n}$. The aim of this note is to enumerate unique edge-magic total labeling of Path $P_{n}$. ## 2 Main Results Our results are summarized in the following Table. Path Length | Number of Solutions ---|--- 0 | 1 1 | 3 2 | 12 3 | 28 4 | 48 5 | 240 6 | 944 7 | 5344 8 | 23408 9 | 133808 10 | 751008 11 | 5222768 12 | 37898776 13 | 292271304 Table 1: Number of Edge-Magic Total Labels. As far as we have seen this series 1,3,12,28,48,240,944,5344,23408 does not appear in OEIS. ### 2.1 Method and Program We started with a simple python program to obtain all edge-magic solutions of paths of lengths 2 to 17. Paths of length 2 means that there will be three vertices and 2 edges, a total of 5 graph elements. import itertools for j in range(5,27,2): x = range(1,j+1) sum2 = 0 for a in itertools.permutations(x): x = list(a) sum1 = x[0]+x[1]+x[2] d = 1 for i in range(2,j-2,2): if (sum1== x[i]+x[i+1]+x[i+2]): d = 1 else: d = 0 break if (d==1): if (a[0]<a[j-1]): #print x, sum1 sum2 = sum2+1 print j, "\t", sum2 This program generated one permutation at a time, and checked for whether the assignment leads to an edge-magic labeling. However it is too slow and we could not compute past the path length of 7. We further optimized our python code and utilized the bounds on magic sum, $k$, similar to the one used in the paper[1]. Let $f(r)=\frac{r\times(r+1)}{2}$ $\frac{f(2\times n+1)+f(n-1)}{n}\leavevmode\nobreak\ \leq\leavevmode\nobreak\ k\leavevmode\nobreak\ \leq\frac{2\times f(2\times n+1)-f(n+2)}{n}$ With this improvement and a shortcircuit optimization, we are able to get up to a path length of 13. All our code is located in the following github location https://github.com/allenlavoie/path-counting . We will like to point the total number of edge-magic solutions for paths form a strict (albeit weak) upper bound for total number of edge-magic solutions for cycles of the same length. ## References * [1] A. Baker and J. Sawada, ”Magic Labelings on Cycles and Wheels,” Lecture Notes in Computer Science 5165 Combinatorial Optimization and Applications. Second International Conference, COCOA 2008. pp. 361-373 * [2] R. D.Godbold and P.J.. Slater, ”All cycles are edge-magic,” Bulletin of the ICA vol. 22 (1998) pp. 93-97. * [3] _On Line Encyclopedia of Integer Sequences, Seq A 145692_ http://oeis.org/A145692 * [4] W. D. Wallis et. al, ”Edge-magic total labelings,” Australasian Journal of Combinatorics vol. 22, 2000. pp.177-190
arxiv-papers
2014-02-10T18:17:07
2024-09-04T02:49:58.153141
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Mukkai S. Krishnamoorthy, Allen Lavoie, Ali Dasdan and Bharath Santosh", "submitter": "Mukkai Krishnamoorthy", "url": "https://arxiv.org/abs/1402.2878" }
1402.2918
# Confidence Bands for Distribution Functions: A New Look at the Law of the Iterated Logarithm Lutz Dümbgen∗ and Jon A. Wellner∗∗ (March 2014) ###### Abstract We present a general law of the iterated logarithm for stochastic processes on the open unit interval having subexponential tails in a locally uniform fashion. It applies to standard Brownian bridge but also to suitably standardized empirical distribution functions. This leads to new goodness-of- fit tests and confidence bands which refine the procedures of Berk and Jones (1979) and Owen (1995). Roughly speaking, the high power and accuracy of the latter procedures in the tail regions of distributions are essentially preserved while gaining considerably in the central region. ∗Work supported by Swiss National Science Foundation. ∗∗Work supported in part by NSF DMS 11-04832 and NI-AID Grant 2R01 AI291968-04. #### AMS subject classifications. 62E20, 62G15, 62G30. #### Key words. Confidence band, limit distribution, sub-exponential tails, submartingale, tail regions. ## 1 Introduction Let $\widehat{F}_{n}$ be the empirical distribution function of independent random variables $X_{1},X_{2},\ldots,X_{n}$ with unknown distribution function $F$ on the real line. Let us recall some well-known facts about $\widehat{F}_{n}$ (cf. Shorack and Wellner 1986): The stochastic process $\bigl{(}\widehat{F}_{n}(x)\bigr{)}_{x\in\mathbb{R}}$ has the same distribution as $\bigl{(}\widehat{G}_{n}(F(x))\bigr{)}_{x\in\mathbb{R}}$, where $\widehat{G}_{n}$ is the empirical distribution of independent random variables $U_{1},U_{2},\ldots,U_{n}$ with uniform distribution on $[0,1]$. This enables us to construct confidence bands for the distribution function $F$. A well-known classical method are Kolmogorov-Smirnov confidence bands: Let $\mathbb{U}_{n}(t)\ :=\ n^{1/2}(\widehat{G}_{n}(t)-t),$ and let $\kappa_{n,\alpha}^{\rm KS}$ be the $(1-\alpha)$-quantile of $\|\mathbb{U}_{n}\|_{\infty}\ :=\ \sup_{t\in[0,1]}|\mathbb{U}_{n}(t)|.$ Then with probability at least $1-\alpha$, $F(x)\ \in\ [\widehat{F}_{n}(x)\pm n^{-1/2}\kappa_{n,\alpha}^{\rm KS}]\quad\text{for all}\ x\in\mathbb{R}.$ (1) Equality holds if $F$ is continuous. Since $\mathbb{U}_{n}$ converges in distribution in $\ell_{\infty}([0,1])$ to standard Brownian bridge $\mathbb{U}$, $\kappa_{n,\alpha}^{\rm KS}$ converges to the $(1-\alpha)$-quantile $\kappa_{\alpha}^{\rm KS}$ of $\|\mathbb{U}\|_{\infty}$. In particular, the simultaneous confidence intervals in (1) have width $O(n^{-1/2})$ uniformly in $x\in\mathbb{R}$. Another method, based on a goodness-of-fit test by Berk and Jones (1979), was introduced by Owen (1995): Let $\kappa_{n,\alpha}^{\rm BJ}$ be the $(1-\alpha)$-quantile of $T_{n}^{\rm BJ}\ :=\ n\sup_{t\in(0,1)}K(\widehat{G}_{n}(t),t),$ where $K(s,t)\ :=\ s\log\frac{s}{t}+(1-s)\log\frac{1-s}{1-t}$ for $s\in[0,1]$ and $t\in(0,1)$. This leads to an alternative confidence band for $F$: With probability at least $1-\alpha$, $nK(\widehat{F}_{n}(x),F(x))\ \leq\ \kappa_{n,\alpha}^{\rm BJ}\quad\text{for all}\ x\in\mathbb{R}.$ (2) As shown by Jager and Wellner (2007), the asymptotic distribution of $T_{n}^{\rm BJ}$ remains the same if one replaces $K(s,t)$ by a more general function; in particular, one may interchange its two arguments. Moreover, $\kappa_{n,\alpha}^{\rm BJ}\ =\ \log\log(n)+2^{-1}\log\log\log(n)+O(1).$ From this one can deduce that (2) leads to confidence intervals with length at most $2\bigl{(}2\gamma_{n}F(x)(1-F(x))\bigr{)}^{1/2}+2\gamma_{n}\quad\text{where}\quad\gamma_{n}:=\frac{\kappa_{n,\alpha}^{\rm BJ}}{n}=(1+o(1))\frac{\log\log n}{n},$ uniformly in $x\in\mathbb{R}$; see (K.5) in Section 6.2. Hence they are substantially shorter than the Kolmogorov-Smirnov intervals for $F(x)$ close to $0$ or $1$. But in the central region, i.e. when $F(x)$ is bounded away from $0$ and $1$, they are of width $O(n^{-1/2}(\log\log n)^{1/2})$ rather than $O(n^{-1/2})$. An obvious goal is to refine these methods and combine the benefits of the Kolmogorov-Smirnov and Berk-Jones confidence bands. Methods of this type have been proposed by various authors, see Mason and Schuenemeyer (1983) and the references cited therein. A key for understanding the asymptotics of $T_{n}^{\rm BJ}$ but also the new methods presented later are suitable variants of the law of the iterated logarithm (LIL). For Brownian bridge $\mathbb{U}$ the LIL states that $\limsup_{t\downarrow 0}\frac{\mathbb{U}(t)}{\sqrt{2t\log\log(1/t)}}\ =\ \limsup_{t\uparrow 1}\frac{\mathbb{U}(t)}{\sqrt{2(1-t)\log\log(1/(1-t))}}\ =\ 1$ (3) almost surely. Various refinements of this result have been obtained. One particular consequence of Kolmogorov’s upper class test (cf. Erdös 1942, or Ito and McKean 1974, Chapter 1.8) is the following result: For $t\in(0,1)$ define $\displaystyle C(t)\ $ $\displaystyle:=\ \log\log\frac{e}{4t(1-t)}\ =\ \log\bigl{(}1-\log(1-(2t-1)^{2})\bigr{)}\ \geq\ 0,$ $\displaystyle D(t)\ $ $\displaystyle:=\ \log(1+C(t)^{2})\ \geq\ 0.$ Then for any fixed $\nu>3/4$, $\sup_{t\in(0,1)}\Bigl{(}\frac{\mathbb{U}(t)^{2}}{2t(1-t)}-C(t)-\nu D(t)\Bigr{)}\ <\ \infty$ (4) almost surely. Note that $C(t)=C(1-t)$, $D(t)=D(1-t)$, and, as $t\downarrow 0$, $\displaystyle C(t)\ $ $\displaystyle=\ \log\log(1/t)+O\bigl{(}\log(1/t)^{-1}\bigr{)},$ $\displaystyle D(t)\ $ $\displaystyle=\ 2\log\log\log(1/t)+O\bigl{(}(\log\log(1/t))^{-1}\bigr{)}.$ This explains why (4) follows from Kolmogorov’s test and shows the connection between (4) and (3). Note also that $\lim_{t\to 1/2}\frac{C(t)}{(2t-1)^{2}}\ =\ \lim_{t\to 1/2}\frac{D(t)}{(2t-1)^{4}}\ =\ 1.$ In the present paper we prove statements similar to (4) for general stochastic processes on $(0,1)$. In Section 2 we state a general condition on a stochastic process $X=(X(t))_{t\in(0,1)}$ such that for any fixed $\nu>1$, $\sup_{t\in(0,1)}\bigl{(}X(t)-C(t)-\nu D(t)\bigr{)}\ <\ \infty$ almost surely. In particular, the stochastic process $X(t)\ :=\ \frac{\mathbb{U}(t)^{2}}{2t(1-t)}$ satisfies this condition. Then in Section 3 these general results are applied to $X_{n}(t)\ :=\ nK(\widehat{G}_{n}(t),t).$ It turns out that for any fixed $\nu>1$, $T_{n,\nu}\ :=\ \sup_{t\in(0,1)}\bigl{(}nK(\widehat{G}_{n}(t),t)-C(t)-\nu D(t)\bigr{)}$ (5) converges in distribution to $T_{\nu}\ :=\ \sup_{t\in(0,1)}\Bigl{(}\frac{\mathbb{U}(t)^{2}}{2t(1-t)}-C(t)-\nu D(t)\Bigr{)}.$ Asymptotic statements like this refer to $n\to\infty$, unless stated otherwise. Moreover, if $U_{n:1}<U_{n:2}<\cdots<U_{n:n}$ are the order statistics of $U_{1},U_{2},\ldots,U_{n}$, then for fixed $\nu>1$, $\tilde{T}_{n,\nu}\ :=\ \max_{j=1,2,\ldots,n}\bigl{(}(n+1)K(t_{nj},U_{n:j})-C(t_{nj})-\nu D(t_{nj})\bigr{)}\ \to_{\mathcal{L}}\ T_{\nu},$ where $t_{nj}\ :=\ \frac{j}{n+1}\quad\text{for}\ j=1,2,\ldots,n.$ To test the null hypothesis that $F$ is equal to a given continuous distribution function $F_{o}$, consider the test statistic $T_{n,\nu}(F_{o})\ :=\ \sup_{x\in\mathbb{R}}\bigl{(}nK(\widehat{F}_{n}(x),F_{o}(x))-C(F_{o}(x))-\nu D(F_{o}(x))\bigr{)}.$ (6) Under the null hypothesis, $T_{n,\nu}(F_{o})$ has the same distribution as $T_{n,\nu}$. Hence if $\kappa_{n,\nu,\alpha}$ denotes the $(1-\alpha)$-quantile of $T_{n,\nu}$, one may reject the null hypothesis at level $\alpha\in(0,1)$ if $T_{n,\nu}(F_{o})$ exceeds $\kappa_{n,\nu,\alpha}$. In Section 4 we investigate the power of this new test in more detail. In particular we show that it attains the detection boundary for Gaussian mixture models as specified by Donoho and Jin (2004). The statistic $\tilde{T}_{n,\nu}$ leads to a new confidence band for $F$: Let $-\infty=X_{n:0}<X_{n:1}\leq X_{n:2}\leq\cdots\leq X_{n:n}<X_{n:n+1}=\infty$ be the order statistics of $X_{1},X_{2},\ldots,X_{n}$, and let $\tilde{\kappa}_{n,\nu,\alpha}$ and $\kappa_{\nu,\alpha}$ be the $(1-\alpha)$-quantile of $\tilde{T}_{n,\nu}$ and $T_{\nu}$, respectively. Then $\tilde{\kappa}_{n,\nu,\alpha}\to\kappa_{\nu,\alpha}$, and with probability at least $1-\alpha$, the following is true: For $0\leq j\leq n$ and $X_{n:j}\leq x<X_{n:j+1}$, $F(x)\ \in\ [a_{nj},b_{nj}],$ where $a_{n0}:=0$, $b_{nn}:=1$ and $\displaystyle a_{nj}$ $\displaystyle:=\min\bigl{\\{}u\in[0,1]:nK(t_{nj},u)\leq C(t_{nj})+\nu D(t_{nj})+\tilde{\kappa}_{n,\nu,\alpha}\bigr{\\}}\ \ \text{if}\ j>0,$ $\displaystyle b_{nj}$ $\displaystyle:=\max\bigl{\\{}u\in[0,1]:nK(t_{n,j+1},u)\leq C(t_{n,j+1})+\nu D(t_{n,j+1})+\tilde{\kappa}_{n,\nu,\alpha}\bigr{\\}}\ \ \text{if}\ j<n.$ Since $C(t_{nj})+\nu D(t_{nj})+\tilde{\kappa}_{n,\nu,\alpha}$ is no larger than $C(t_{n1})+\nu D(t_{n1})+\tilde{\kappa}_{n,\nu,\alpha}\ =\ (1+o(1))\log\log n$ for $1\leq j\leq n$, our confidence bands have similar accuracy as those of Owen (1995) in the tail regions while achieving the usual root-$n$ consistency everywhere. A more precise comparison is provided in Section 5. Thereafter we relate our methods to a negative result of Bahadur and Savage (1956) about the nonexistence of confidence bands with vanishing width in the tails. Finally we discuss briefly an interesting alternative approach to goodness-of-fit tests and confidence bands by Aldor-Noiman et al. (2013) and Eiger et al. (2013). All proofs and technical arguments are deferred to Section 6. Section 7 contains supplementary material including a quantitative version of Bahadur and Savage (1956, Theorem 2) and decision theoretic considerations about the Gaussian mixture model of Donoho and Jin (2004). ## 2 A general non-Gaussian LIL Our conditions and results involve the function $\mathop{\mathrm{logit}}\nolimits:(0,1)\to\mathbb{R}$ with $\mathop{\mathrm{logit}}\nolimits(t)\ :=\ \log\Bigl{(}\frac{t}{1-t}\Bigr{)}.$ Its inverse is the logistic function $\ell:\mathbb{R}\to(0,1)$ with $\ell(x)\ :=\ \frac{e^{x}}{1+e^{x}}\ =\ \frac{1}{e^{-x}+1},$ and $\ell^{\prime}(x)\ =\ \ell(x)(1-\ell(x))\ =\ \frac{1}{e^{x}+e^{-x}+2}.$ We consider stochastic processes $X=(X(t))_{t\in\mathcal{T}}$ on subsets $\mathcal{T}$ of $(0,1)$ which have locally uniformly sub-exponential tails in the following sense: ###### Condition 2.1. There exist a real constant $M\geq 1$ and a non-increasing funtion $L:[0,\infty)\to[0,1]$ such that $L(c)=1-O(c)$ as $c\downarrow 0$, and $\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{t\in[\ell(a),\ell(a+c)]\cap\mathcal{T}}X(t)>\eta\Bigr{)}\ \leq\ M\exp(-L(c)\eta)$ (7) for arbitrary $a\in\mathbb{R}$, $c\geq 0$ and $\eta\in\mathbb{R}$. ###### Theorem 2.2. Suppose that $X$ satisfies Condition 2.1. For arbitrary $\nu>1$ and $L_{o}\in(0,1)$ there exists a real constant $M_{o}\geq 1$ depending only on $M$, $L(\cdot)$, $\nu$ and $L_{o}$ such that $\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{t\in\mathcal{T}}\bigl{(}X(t)-C(t)-\nu D(t)\bigr{)}>\eta\Bigr{)}\ \leq\ M_{o}\exp(-L_{o}\eta)\quad\text{for arbitrary}\ \eta\geq 0.$ ###### Remark 2.3. Suppose that $X$ satisfies Condition 2.1, where $\inf(\mathcal{T})=0$ and $\sup(\mathcal{T})=1$. For any $\nu>1$, the supremum $T_{\nu}(X)$ of $X-C-\nu D$ over $\mathcal{T}$ is finite almost surely. But this implies that $\lim_{t\to\\{0,1\\}}\bigl{(}X(t)-C(t)-\nu D(t)\bigr{)}\ =\ -\infty$ almost surely. For if $1<\nu^{\prime}<\nu$, then $X(t)-C(t)-\nu D(t)\ \leq\ T_{\nu^{\prime}}(X)-(\nu-\nu^{\prime})D(t),$ so the claim follows from $T_{\nu^{\prime}}(X)<\infty$ almost surely and $D(t)\to\infty$ as $t\to\\{0,1\\}$. ###### Remark 2.4. Our definition of the function $D=\log(1+C^{2})$ may look somewhat arbitrary. Indeed, we tried various choices, e.g. $D=2\log(1+C)$. Theorem 2.2 is valid for any nonnegative function $D$ on $(0,1)$ such that $D(1-\cdot)=D(\cdot)$ and $D(t)/\log\log\log(1/t)\to 2$ as $t\downarrow 0$. The special choice $D=\log(1+C^{2})$ yielded a rather uniform distribution of $\mathop{\mathrm{arg\,max}}_{(0,1)}(X-C-\nu D)$ when $X(t)=\mathbb{U}(t)^{2}/(2t(1-t))$ and $\nu$ close to one. Our first example for a process $X$ satisfying Condition 2.1 is squared and standardized Brownian bridge: ###### Lemma 2.5. Let $\mathcal{T}=(0,1)$ and $X(t)=\mathbb{U}(t)^{2}/(2t(1-t))$ with standard Brownian bridge $\mathbb{U}$. Then Condition 2.1 is satisfied with $M=2$ and $L(c)=e^{-c}$. In particular, Lemma 2.5 and Theorem 2.2 yield (4) for any $\nu>1$. ## 3 Implications for the uniform empirical process As indicated in the introduction, Theorem 2.2 may be applied to the uniform empirical process $\widehat{G}_{n}$ in two ways. A first version concerns $\mathcal{T}=(0,1)$ and $X_{n}(t)\ :=\ nK(\widehat{G}_{n}(t),t).$ ###### Lemma 3.1. The stochastic process $X_{n}$ satisfies Condition 2.1 with $M=2$ and $L(c)=e^{-c}$. Combining this lemma, Theorem 2.2 and Donsker’s Theorem for the uniform empirical process yields the following result: ###### Theorem 3.2. For any fixed $\nu>1$, $T_{n,\nu}\ =\ \sup_{t\in(0,1)}\bigl{(}X_{n}(t)-C(t)-\nu D(t)\bigr{)}$ converges in distribution to the random variable $T_{\nu}\ :=\ \sup_{t\in(0,1)}\Bigl{(}\frac{\mathbb{U}(t)^{2}}{2t(1-t)}-C(t)-\nu D(t)\Bigr{)}.$ For the computation of confidence bands it is more convenient to work with the following stochastic process on $\mathcal{T}_{n}:=\\{t_{nj}:j=1,2,\ldots,n\\}$: $\tilde{X}_{n}(t_{nj})\ :=\ (n+1)K(t_{nj},U_{n:j}).$ ###### Lemma 3.3. The stochastic process $\tilde{X}_{n}$ satisfies Condition 2.1 with $M=2$ and $L(c)=e^{-c}$. Again we may combine this with Theorem 2.2 and Donsker’s theorem for partial sum processes to obtain a new limit theorem: ###### Theorem 3.4. For any fixed $\nu>1$, $\tilde{T}_{n,\nu}\ =\ \sup_{t\in\mathcal{T}_{n}}\bigl{(}\tilde{X}_{n}(t)-C(t)-\nu D(t)\bigr{)}$ converges in distribution to the random variable $T_{\nu}$ defined in Theorem 3.2. ## 4 Goodness-of-fit tests As explained in the introduction, we may reject the null hypothesis that $F$ is a given continuous distribution function $F_{o}$ at level $\alpha$ if $T_{n,\nu}(F_{o})\ =\ \sup_{x\in\mathbb{R}}\bigl{(}nK(\widehat{F}_{n}(x),F_{o}(x))-C(F_{o}(x))-\nu D(F_{o}(x))\bigr{)},$ exceeds $\kappa_{n,\nu,\alpha}$. Note also that the latter supremum may be expressed as the maximum of $2n+1$ terms, replacing the argument $(x)$ with $(X_{n:i})$ and $(X_{n:i}\,-)$ for $1\leq i\leq n$ or with $(F_{o}^{-1}(1/2))$. As shown in the next lemma, for any fixed citical value $\kappa>0$, the probability that $T_{n,\nu}(F_{o})\leq\kappa$ is small if the quantity $\Delta_{n}(F,F_{o})\ :=\ \sup_{\mathbb{R}}\frac{\sqrt{n}|F-F_{o}|}{\sqrt{\Gamma(F_{o})F_{o}(1-F_{o})}+\Gamma(F_{o})/\sqrt{n}}$ is large, where $\Gamma(t):=C(t)+1$ for $t\in[0,1]$ with $C(0):=C(1):=\infty$. Note that $\Gamma(t)t(1-t)\to 0$ as $(0,1)\ni t\to\\{0,1\\}$. ###### Lemma 4.1. For any critical value $\kappa>0$ there exists a constant $B_{\nu,\kappa}$ such that $\mathop{\mathrm{I\\!P}}\nolimits_{F}\bigl{(}T_{\nu,n}(F_{o})\leq\kappa\bigr{)}\ \leq\ B_{\nu,\kappa}\,\Delta_{n}(F,F_{o})^{-4/5}.$ (8) Here and subsequently, the subscript $F$ in $\mathop{\mathrm{I\\!P}}\nolimits_{F}(\cdot)$ or $\mathop{\mathrm{I\\!E}}\nolimits_{F}(\cdot)$ specifies the true distribution function of the random variables $X_{1},X_{2},\ldots,X_{n}$. Now consider an arbitrary sequence $(F_{n})_{n}$ of distribution functions. Then for any fixed level $\alpha\in(0,1)$, Lemma 4.1 and the fact that $\kappa_{n,\nu,\alpha}\to\kappa_{\nu,\alpha}<\infty$ imply that $\mathop{\mathrm{I\\!P}}\nolimits_{F_{n}}\bigl{(}T_{n,\nu}(F_{o})>\kappa_{n,\nu,\alpha}\bigr{)}\ \to\ 1$ provided that $\Delta_{n}(F_{n},F_{o})\ \to\ \infty.$ (9) In particular, (9) is satisfied if $F_{n}\equiv F_{*}\not\equiv F_{o}$ for all sample sizes $n$. Thus our test has asymptotic power one for any fixed distribution function different from $F_{o}$. #### Detecting Gaussian mixtures. We consider a testing problem studied in detail by Donoho and Jin (2004). The null hypothesis is given by $F_{o}=\Phi$, the standard Gaussian distribution function, whereas $F_{n}(x)\ :=\ (1-\varepsilon_{n})\Phi(x)+\varepsilon_{n}\Phi(x-\mu_{n})$ for certain numbers $\varepsilon_{n}\in(0,1)$ and $\mu_{n}>0$. By means of Lemma 4.1 one can derive the following result: ###### Lemma 4.2. (a) Suppose that $\varepsilon_{n}=n^{-\beta+o(1)}$ for some fixed $\beta\in(1/2,1)$. Further let $\mu_{n}=\sqrt{2r\log(n)}$ for some $r\in(0,1)$. Then $\Delta_{n}(F_{n},\Phi)\to\infty$ if $r\ >\ r_{*}(\beta):=\begin{cases}\beta-1/2&\text{if}\ \beta\in(1/2,3/4],\\\ \bigl{(}1-\sqrt{1-\beta}\bigr{)}^{2}&\text{if}\ \beta\in[3/4,1).\end{cases}$ (b) Suppose that $\varepsilon_{n}=n^{-1/2+o(1)}$ such that $\pi_{n}:=\sqrt{n}\varepsilon_{n}\to 0$. Then $\Delta_{n}(F_{n},\Phi)\to\infty$ if $\mu_{n}=\sqrt{2s\log(1/\pi_{n})}$ for some $s>1$. As explained by Donoho and Jin (2004), any goodness-of-fit test at fixed level $\alpha\in(0,1)$ has trivial asymptotic power $\alpha$ whenever $\varepsilon_{n}=n^{-\beta}$ for some $\beta\in(1/2,1)$ and $\mu_{n}=\sqrt{2r\log(n)}$ with $r<r_{*}(\beta)$. Thus our new test provides another example of an asymptotically optimal procedure in this particular setting. Other procedures with asymptotic power one whenever $r>r_{*}(\beta)$ are Tukey’s higher criticism test (Donoho and Jin 2004) or the generalized Berk–Jones tests (Jager and Wellner 2007). In the setting of part (b), the latter two classes of tests can fail to have asymptotic power one if $\mu_{n}=\sqrt{2s\log(1/\pi_{n})}$ for fixed $s>1$ but $\pi_{n}\to 0$ sufficiently slow. On the other hand, one can show that any level-$\alpha$ test of $F_{o}$ versus $F_{n}$ has trivial asymptotic power whenever $\mu_{n}\leq\sqrt{2s\log(1/\pi_{n})}$ for an arbitrary fixed $s<1$. A rigorous proof is provided with the supplementary material. Parts (a) and (b) of Lemma 4.2 are well connected. For let $\varepsilon_{n}=n^{-\beta+o(1)}$ for some $\beta\in(1/2,3/4]$, and $\mu_{n}=\sqrt{2r\log(n)}$ for some $r>\beta-1/2$. Then $s:=r/(\beta-1/2)>1$ and with $\pi_{n}:=\sqrt{n}\varepsilon_{n}=n^{1/2-\beta+o(1)}$ we may rewrite $\mu_{n}$ as $\mu_{n}\ =\ \sqrt{2s(\beta-1/2)\log(n)}\ =\ \sqrt{(2s+o(1))\log(1/\pi_{n})}.$ ## 5 Confidence bands The confidence bands of Owen (1995) may be described as follows: For $0\leq j\leq n$ let $s_{nj}:=j/n$. With confidence $1-\alpha$ we may claim that for $0\leq j\leq n$ and $X_{n:j}\leq x<X_{n:j+1}$, $F(x)\ \in\ [a_{nj}^{\rm BJO},b_{nj}^{\rm BJO}],$ where $\displaystyle b_{nj}^{\rm BJO}\ $ $\displaystyle:=\ \begin{cases}\max\bigl{\\{}b\in(s_{nj},1):K(s_{nj},b)\leq\gamma_{n}^{\rm BJ}\bigr{\\}}&\text{for}\ 0\leq j<n,\\\ 1&\text{for}\ j=n,\end{cases}$ $\displaystyle a_{nj}^{\rm BJO}\ $ $\displaystyle:=\ 1-b_{n,n-j}^{\rm BJO},$ and $\gamma_{n}^{\rm BJ}\ =\ \frac{\kappa_{n,\alpha}^{\rm BJ}}{n}\ =\ \frac{\log\log n}{n}(1+o(1)).$ Our new method is analogous: With confidence $1-\alpha$, for $0\leq j\leq n$ and $X_{n:j}\leq x<X_{n:j+1}$, the value $F(x)$ is contained in $[a_{nj},b_{nj}]$, where $\displaystyle b_{nj}\ $ $\displaystyle:=\ \begin{cases}\max\bigl{\\{}u\in(t_{n,j+1},1):K(t_{n,j+1},u)\leq\gamma_{n}(t_{n,j+1})\bigr{\\}}&\text{for}\ 0\leq j<n,\\\ 1&\text{for}\ j=n,\end{cases}$ $\displaystyle a_{nj}\ $ $\displaystyle:=\ 1-b_{n,n-j},$ and $\gamma_{n}(t)\ :=\ \frac{C(t)+\nu D(t)+\tilde{\kappa}_{n,\nu,\alpha}}{n+1}$ for $t\in\mathcal{T}_{n}$. Asymptotically the new confidence band is everywhere at least as good as Owen’s (1995) band, and in the central region it is infinitely more accurate: ###### Theorem 5.1. For any fixed $\alpha\in(0,1)$, $\max_{j=0,1,\ldots,n-1}\frac{b_{nj}-s_{nj}}{b_{nj}^{\rm BJO}-s_{nj}}\ =\ \max_{j=1,2,\ldots,n}\frac{s_{nj}-a_{nj}}{s_{nj}-a_{nj}^{\rm BJO}}\ \to\ 1,\\\ $ while $\displaystyle\max_{j=0,1,\ldots,n}(b_{nj}^{\rm BJO}-s_{nj})\ =\ \max_{j=0,1,\ldots,n}(s_{nj}-a_{nj}^{\rm BJO})\ $ $\displaystyle=\ (1+o(1))\sqrt{\frac{\log\log n}{2n}},$ $\displaystyle\max_{j=0,1,\ldots,n}(b_{nj}-s_{nj})\ =\ \max_{j=0,1,\ldots,n}(s_{nj}-a_{nj})\ $ $\displaystyle=\ O(n^{-1/2}).$ To be honest, the asymptotic statement in the first part of Theorem 5.1 requires huge sample sizes to materialize. In our numerical experiments it turned out that for sample sizes $n$ up to $10000$ and very small indices $j$, the ratio $(b_{nj}-s_{nj})/(b_{nj}^{\rm BJO}-s_{nj})$ is between $1.5$ and $2$ but drops off quickly as $j$ gets larger. #### Numerical example. The left panel in Figure 1 depicts for $n=500$, $\nu=1.1$ and $\alpha=5\%$ the confidence limits $a_{nj}$ and $b_{nj}$ as functions of $j\in\\{0,1,\ldots,n\\}$. The dotted (yellow) line in the middle represents the values $s_{nj}$. The corresponding quantile $\tilde{\kappa}_{n,\nu,\alpha}$ was estimated in $40000$ Monte-Carlo simulations as $4.2471$, and this leads to the maximal value $\gamma_{n}(t_{n1})=0.0151$. In the right panel one sees the centered boundaries $a_{nj}-s_{nj}$ and $b_{nj}-s_{nj}$. In addition the centered boundaries $a_{nj}^{\rm BJO}-s_{nj}$ and $a_{nj}^{\rm BJO}-s_{nj}$ are shown as dashed (and cyan) lines, based on the estimated quantile $\kappa_{n,\alpha}^{\rm BJ}=5.6615$ and $\gamma_{n}^{\rm BJO}=0.0113$. The additional horizontal lines are the values $\pm n^{-1/2}\kappa_{n,\alpha}^{\rm KS}=\pm 0.0604$ for the Kolmogorov-Smirnov bands. Figure 2 shows the same as the right panel in Figure 1, but with sample sizes $n=2000$ and $n=8000$ in the left and right panel, respectively. Figure 1: The confidence limits $a_{nj},b_{nj}$ (left panel) and the centered confidence limits $a_{nj}-s_{nj},b_{nj}-s_{nj}$ (right panel) for $n=500$, $\nu=1.1$ and $\alpha=5\%$. Figure 2: Centered confidence limits for $n=2000,8000$ and $\nu=1.1$, $\alpha=5\%$. #### Accuracy in the tails. The confidence bands described here yield an upper bound for $F$ with limit $b_{n0}^{\rm BJO}$ or $b_{n0}$ at $-\infty$ and a lower bound for $F$ with limit $a_{nn}^{\rm BJO}$ or $a_{nn}$ at $+\infty$. The proof of Theorem 5.1 reveals that $b_{n0}^{\rm BJO},b_{nn}\ =\ \frac{\log\log n}{n}(1+o(1))\quad\text{and}\quad a_{nn}^{\rm BJO},a_{nn}\ =\ 1-\frac{\log\log n}{n}(1+o(1)).$ On the other hand, the proof of Theorem 2 of Bahadur and Savage (1956) shows that we cannot expect substantially more accuracy in the tails. Their arguments can be adpated to show that for any $(1-\alpha)$-confidence band and any $c>0$, the limit of the upper band at $-\infty$ is smaller than $c/n$ with probability at most $(1-c/n)^{-n}\alpha$. The same bound holds true for the probability that the limit of the lower bound at $\infty$ is greater than $1-c/n$. For a proof we refer to the supplementary material. #### An alternative approach via the union-intersection principle. Aldor-Noiman et al. (2013) and Eiger et al. (2013) propose to use a union- intersection type goodness-of-fit test and related confidence bands. Under the null hypothesis that $F\equiv F_{o}$, the test statistic $F_{o}(X_{n:i})$ and $U_{n:i}$ follow a beta distribution with parameters $i$ and $n+1-i$. Denoting its distribution function with $B_{ni}$, two resulting p-values would be $B_{ni}(F_{o}(X_{n:i}))$ and $1-B_{ni}(F_{o}(X_{n:i}))$. Thus one can reject the null hypothesis at level $\alpha$ if the test statistic $\min_{i=1,2,\ldots,n}\ \min\bigl{\\{}B_{ni}(F_{o}(X_{n:i})),1-B_{ni}(F_{o}(X_{n:i}))\bigr{\\}}$ is lower or equal to the $\alpha$-quantile $\kappa_{n,\alpha}^{\rm UI}$ of $\min_{i=1,2,\ldots,n}\ \min\bigl{\\{}B_{ni}(U_{n:i}),1-B_{ni}(U_{n:i})\bigr{\\}}.$ (10) A corresponding $(1-\alpha)$-confidence band for $F$ may be constructed as follows: With confidence $1-\alpha$ one may claim that for $0\leq j\leq n$ and $X_{n:j}\leq x<X_{n:j+1}$, $F(x)\ \in\ [a_{nj}^{\rm UI},b_{nj}^{\rm UI}],$ where $a_{n0}^{\rm UI}:=0$, $b_{nn}^{\rm UI}:=1$, and $\displaystyle a_{nj}^{\rm UI}\ $ $\displaystyle:=\ B_{nj}^{-1}(\kappa_{n,\alpha}^{\rm UI})\quad\text{for}\ j>1,$ $\displaystyle b_{nj}^{\rm UI}\ $ $\displaystyle:=\ B_{nj}^{-1}(1-\kappa_{n,\alpha}^{\rm UI})\quad\text{for}\ j<n.$ The results of Eiger et al. (2013) indicate that this goodness-of-fit test has similar properties as the one of Berk and Jones (1979). Indeed, if one considers the closely related test statistic $\max_{i=1,2,\ldots,n}\,(n+1)K(t_{ni},F_{o}(X_{n:i}))$ one may consider $\exp\bigl{(}-(n+1)K(t_{ni},U_{ni})\bigr{)}$ as a simple surrogate for the minimum of the two p-values $B_{ni}(F_{o}(X_{n:i}))$ and $1-B_{ni}(F_{o}(X_{n:i}))$. A possible weakness of the union-intersection approach is that it ignores correlations between the random variables $U_{n:i}$. Elementary calculations reveal that for $1\leq i<j\leq n$, $\mathrm{Corr}(U_{n:i},U_{n:j})\ =\ \exp\bigl{(}-(\ell(t_{nj})-\ell(t_{ni}))/2\bigr{)}.$ Thus the correlation of two neighbors $U_{n:i}$ and $U_{n:i+1}$ is rather large if $t_{ni}$ is close to $1/2$ but much smaller if $t_{ni}$ is close to $0$ or $1$. As a result, the minimum in (10) tends to be attained for indices $i$ such that $t_{ni}$ is close to $0$ or $1$. With our additive correction term $-C(t_{ni})-\nu D(t_{ni})$ we try to account for such effects. ## 6 Proofs ### 6.1 Proofs for Section 2 ###### Proof of Theorem 2.2. For symmetry reasons it suffices to prove upper bounds for $\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{\mathcal{T}\cap[1/2,1)}\bigl{(}X-C-\nu D\bigr{)}>\eta\Bigr{)}.$ Note first that for $t,t^{\prime}\in(0,1)$, $\Bigl{|}\log\frac{t^{\prime}(1-t^{\prime})}{t(1-t)}\Bigr{|}\ \leq\ \Bigl{|}\log\frac{t^{\prime}}{t}\Bigr{|}+\Bigl{|}\log\frac{1-t^{\prime}}{1-t}\Bigr{|}\ =\ \bigl{|}\mathop{\mathrm{logit}}\nolimits(t^{\prime})-\mathop{\mathrm{logit}}\nolimits(t)\bigr{|}.$ (11) Consequently, $\displaystyle C(t^{\prime})\ $ $\displaystyle=\ \log\log\Bigl{(}\frac{e}{4t(1-t)}\frac{t(1-t)}{t^{\prime}(1-t^{\prime})}\Bigr{)}$ $\displaystyle\leq\ \log\bigl{(}\exp(C(t))+\bigl{|}\mathop{\mathrm{logit}}\nolimits(t^{\prime})-\mathop{\mathrm{logit}}\nolimits(t)\bigr{|}\bigr{)}$ $\displaystyle=\ C(t)+\log\bigl{(}1+\exp(-C(t))\bigl{|}\mathop{\mathrm{logit}}\nolimits(t^{\prime})-\mathop{\mathrm{logit}}\nolimits(t)\bigr{|}\bigr{)}$ $\displaystyle\leq\ C(t)+\bigl{|}\mathop{\mathrm{logit}}\nolimits(t^{\prime})-\mathop{\mathrm{logit}}\nolimits(t)\bigr{|}$ and since $x\mapsto\log(1+x^{2})$ has derivative $2x/(1+x^{2})\leq 1$, $\displaystyle D(t^{\prime})\ \leq\ D(t)+\bigl{|}\mathop{\mathrm{logit}}\nolimits(t^{\prime})-\mathop{\mathrm{logit}}\nolimits(t)\bigr{|}.$ Now let $(a_{k})_{k\geq 0}$ be sequence of real numbers with $a_{0}=0$ such that $a_{k}\ \to\ \infty\quad\text{and}\quad 0<\delta_{k}:=a_{k+1}-a_{k}\ \to\ 0\quad\text{as}\ k\to\infty.$ (12) Then it follows from $0\leq\mathop{\mathrm{logit}}\nolimits(t)-\mathop{\mathrm{logit}}\nolimits(\ell(a_{k}))\leq\delta_{k}$ for $t\in[\ell(a_{k}),\ell(a_{k+1})]$ that $\displaystyle\sup_{\mathcal{T}\cap[\ell(a_{k}),\ell(a_{k+1})]}$ $\displaystyle\bigl{(}X-C-\nu D)$ $\displaystyle\leq\ \sup_{\mathcal{T}\cap[\ell(a_{k}),\ell(a_{k+1})]}X\,-\,C(\ell(a_{k}))-\nu D(\ell(a_{k}))\,+\,(1+\nu)\delta_{k}$ $\displaystyle\leq\ \sup_{\mathcal{T}\cap[\ell(a_{k}),\ell(a_{k+1})]}X\,-\,C(\ell(a_{k}))-\nu D(\ell(a_{k}))\,+\,(1+\nu)\delta_{*}$ with $\delta_{*}:=\max_{k\geq 0}\delta_{k}$. Thus Condition 2.1 implies that $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}$ $\displaystyle\sup_{\mathcal{T}\cap[1/2,1)}(X-C-\nu D)>\eta\Bigr{)}$ $\displaystyle\leq\ \sum_{k\geq 0}\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{\mathcal{T}\cap[\ell(a_{k}),\ell(a_{k+1})]}(X-C-\nu D)>\eta\Bigr{)}$ $\displaystyle\leq\ \sum_{k\geq 0}\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{\mathcal{T}\cap[\ell(a_{k}),\ell(a_{k+1})]}X\,>\eta-(1+\nu)\delta_{*}+C(\ell(a_{k}))+\nu D(\ell(a_{k}))\Bigr{)}$ $\displaystyle\leq\ M\exp((1+\nu)\delta_{*})\exp(-\eta L(\delta_{*}))\cdot G,$ where $\displaystyle G\ $ $\displaystyle:=\ \sum_{k\geq 0}\exp\bigl{(}-L(\delta_{k})C(\ell(a_{k}))-L(\delta_{k})\nu D(\ell(a_{k}))\bigr{)}$ $\displaystyle=\ \sum_{k\geq 0}\Bigl{(}\log\frac{e}{4\ell^{\prime}(a_{k})}\Bigr{)}^{-L(\delta_{k})}\Bigl{(}1+\Bigl{(}\log\log\frac{e}{4\ell^{\prime}(a_{k})}\Bigr{)}^{2}\Bigr{)}^{-\nu L(\delta_{k})}.$ For any number $a\geq 0$, $1\ \leq\ \log\frac{e}{4\ell^{\prime}(a)}\ =\ \log\frac{e(e^{a}+e^{-a}+2)}{4}\ \in\ \bigl{(}a+\log(e/4),a+1\bigr{]}.$ Now we define $a_{k}\ :=\ \delta_{*}A(k)\quad\text{with}\quad A(s)\ :=\ \frac{s}{\log(e+s)}$ for some $\delta_{*}>0$ such that $L(\delta_{*})\geq L_{o}\in(0,1)$. Note that $A(\cdot)$ is a continuously differentiable function on $[0,\infty)$ with $A(0)=0$, limit $A(\infty)=\infty$ and derivative $A^{\prime}(s)\ =\ \frac{1}{\log(e+s)}\Bigl{(}1-\frac{s}{(e+s)\log(e+s)}\Bigr{)}\ \in\ \Bigl{(}0,\frac{1}{\log(e+s)}\Bigr{)}.$ This implies that (12) is indeed satisfied with $\delta_{k}\ \leq\ \frac{\delta_{*}}{\log(e+k)}\ =\ O\bigl{(}(\log k)^{-1}\bigr{)}\quad\text{as}\ k\to\infty.$ Moreover, as $k\to\infty$, $\displaystyle\Bigl{(}\log$ $\displaystyle\frac{e}{4\ell^{\prime}(a_{k})}\Bigr{)}^{-L(\delta_{k})}\Bigl{(}1+\Bigl{(}\log\log\frac{e}{4\ell^{\prime}(a_{k})}\Bigr{)}^{2}\Bigr{)}^{-\nu L(\delta_{k})}$ $\displaystyle=\ O\bigl{(}a_{k}^{-L(\delta_{k})}\log(a_{k})^{-2\nu L(\delta_{k})}\bigr{)}$ $\displaystyle=\ O\bigl{(}k^{-L(\delta_{k})}(\log k)^{L(\delta_{k})}(\log k)^{-2\nu L(\delta_{k})}\bigr{)}$ $\displaystyle=\ O\bigl{(}k^{-1+O(1/\log k)}(\log k)^{-(2\nu-1)L(\delta_{k})}\bigr{)}$ $\displaystyle=\ O\bigl{(}k^{-1}(\log k)^{-(2\nu-1+o(1))}\bigr{)}.$ Since $2\nu-1>1$, this implies that $G<\infty$. Hence the asserted inequality is true with $M_{o}=2M\exp((1+\nu)\delta_{*})\cdot G$. ∎ ###### Proof of Lemma 2.5. To verify Condition 2.1 here, recall that if $\mathbb{W}=(\mathbb{W}(t))_{t\geq 0}$ is standard Brownian motion, then $(\mathbb{U}(t))_{t\in(0,1)}$ has the same distribution as $\bigl{(}(1-t)\mathbb{W}(s(t))\bigr{)}_{t\in(0,1)}$ with $s(t):=t/(1-t)=\exp(\mathop{\mathrm{logit}}\nolimits(t))$. Hence for $a\in\mathbb{R}$ and $c\geq 0$, $\displaystyle\sup_{t\in[\ell(a),\ell(a+c)]}X(t)\ $ $\displaystyle=_{\mathcal{L}}\ \sup_{t\in[\ell(a),\ell(a+c)]}\frac{(1-t)^{2}\mathbb{W}(s(t))^{2}}{2t(1-t)}$ $\displaystyle=\ \sup_{t\in[\ell(a),\ell(a+c)]}\frac{\mathbb{W}(s(t))^{2}}{2s(t)}$ $\displaystyle=\ \sup_{s\in[e^{a},e^{a+c}]}\frac{\mathbb{W}(s)^{2}}{2s}$ $\displaystyle=_{\mathcal{L}}\ \sup_{u\in[1,e^{c}]}\frac{\mathbb{W}(u)^{2}}{2u}.$ But it is well-known that $(\mathbb{W}(u)/u)_{u\geq 1}$ is a reverse martingale. Thus $\bigl{(}\exp(\lambda W(u)/u)\bigr{)}_{u\geq 1}$ is a nonnegative reverse submartingale for arbitrary real numbers $\lambda$. Hence it follows from Doob’s inequality for nonnegative submartingales that for any $\eta>0$, $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{u\in[1,e^{c}]}\frac{\mathbb{W}(u)^{2}}{2u}\geq\eta\Bigr{)}\ $ $\displaystyle\leq\ \mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{u\in[1,e^{c}]}\frac{\mathbb{W}(u)^{2}}{u^{2}}\geq\frac{2\eta}{e^{c}}\Bigr{)}$ $\displaystyle\leq\ 2\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{u\in[1,e^{c}]}\mathbb{W}(u)/u\geq\sqrt{2e^{-c}\eta}\Bigr{)}$ $\displaystyle=\ 2\inf_{\lambda>0}\,\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{u\in[1,e^{c}]}\exp\bigl{(}\lambda\mathbb{W}(u)/u\bigr{)}\geq\exp\bigl{(}\lambda\sqrt{2e^{-c}\eta}\bigr{)}\Bigr{)}$ $\displaystyle\leq\ 2\inf_{\lambda>0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp\bigl{(}\lambda\mathbb{W}(1)/1\bigr{)}\exp\bigl{(}-\lambda\sqrt{2e^{-c}\eta}\bigr{)}$ $\displaystyle=\ 2\inf_{\lambda>0}\,\exp\bigl{(}\lambda^{2}/2-\lambda\sqrt{2e^{-c}\eta}\bigr{)}$ $\displaystyle=\ 2\exp(-e^{-c}\eta).$ ∎ ### 6.2 Various properties of the function $K(\cdot,\cdot)$ Before starting with a function $K(\cdot,\cdot)$ itself, let us introduce two auxiliary functions: $\displaystyle H(x)\ $ $\displaystyle:=\ x-\log(1+x),\quad x\in(-1,\infty),$ $\displaystyle\tilde{H}(z)\ $ $\displaystyle:=\ -\log(1-z)-z\ =\ H(-z),\quad z\in(-\infty,1).$ Elementary algebra shows that for $s,t\in(0,1)$, $K(s,t)\ =\ sH\Bigl{(}\frac{t-s}{s}\Bigr{)}+(1-s)\tilde{H}\Bigl{(}\frac{t-s}{1-s}\Bigr{)}.$ This representation will be useful for $s$ close to $0$ or $1$. ###### Lemma 6.1. Both functions $H:[0,\infty)\to[0,\infty)$ and $\tilde{H}:[0,1)\to[0,\infty)$ are bijective, strictly increasing and strictly convex. Moreover, $\displaystyle H(x)\ $ $\displaystyle\in\ \Bigl{[}1+x-\sqrt{1+2x},\frac{x^{2}}{2+x}\Bigr{]}\quad\text{for}\ x\in[0,\infty),$ $\displaystyle\tilde{H}(z)\ $ $\displaystyle\in\ \bigl{[}-\log(1-z^{2})/2,-\log(1-z)\bigr{]}\quad\text{for}\ z\in[0,1).$ The inverse functions $H^{-1}:[0,\infty)\to[0,\infty)$ and $\tilde{H}^{-1}:[0,\infty)\to[0,1)$ are strictly increasing and strictly concave with $\displaystyle H^{-1}(y)\ $ $\displaystyle\in\ \bigl{[}\sqrt{2y+y^{2}/4}+y/2,\sqrt{2y}+y\bigr{]},$ $\displaystyle\tilde{H}^{-1}(y)\ $ $\displaystyle\in\ \bigl{[}1-e^{-y},\sqrt{1-e^{-2y}}\bigr{]}.$ The proof of this lemma is elementary and thus omitted. Now we are ready to state essential properties of $K(\cdot,\cdot)$: #### (K.0) With the convention that $0\log 0:=0$ one can easily verify that the function $K:[0,1]\times(0,1)\to\mathbb{R}$ is continuous. In particular, $K(0,t)=-\log(1-t)$ and $K(1,t)=-\log t$. Moreover, $K(1-s,1-t)=K(s,t)$ for arbitrary $s\in[0,1]$ and $t\in(0,1)$. #### (K.1) For $s,t\in(0,1)$, $\frac{\partial K(s,t)}{\partial s}\ =\ \mathop{\mathrm{logit}}\nolimits(s)-\mathop{\mathrm{logit}}\nolimits(t)\quad\text{and}\quad\frac{\partial K(s,t)}{\partial t}\ =\ -\frac{s}{t}+\frac{1-s}{1-t}\ =\ \frac{t-s}{t(1-t)}.$ (The latter formula is true even for $s\in[0,1]$.) In particular, $K(s,t)\geq 0$ with equality if, and only if, $s=t$. #### (K.2) For $s,t\in(0,1)$, $\displaystyle\frac{\partial^{2}K(s,t)}{\partial s^{2}}\ $ $\displaystyle=\ \frac{1}{s(1-s)},\quad\frac{\partial^{2}K(s,t)}{\partial s\partial t}\ =\ -\frac{1}{t(1-t)}\quad\text{and}$ $\displaystyle\frac{\partial^{2}K(s,t)}{\partial t^{2}}\ $ $\displaystyle=\ \frac{s}{t^{2}}+\frac{1-s}{(1-t)^{2}}\ =\ \frac{(t-s)^{2}+s(1-s)}{t^{2}(1-t)^{2}}.$ In particular, the Hessian matrix of $K$ at $(s,t)$ has positive diagonal elements and non-negative determinant $(t-s)^{2}/(s(1-s)t^{2}(1-t)^{2})$. This implies that $K$ is convex on $[0,1]\times(0,1)$. #### (K.3) For fixed $u\in(0,1)$ and arbitrary $0<t<t^{\prime}<1$, $\frac{K(0,t^{\prime})}{K(0,t)},\frac{K(t^{\prime}u,t^{\prime})}{K(tu,t)},\frac{K(t^{\prime},t^{\prime}u)}{K(t,tu)}\ \in\ \Bigl{(}\frac{t^{\prime}}{t},\frac{t^{\prime}(1-t)}{(1-t^{\prime})t}\Bigr{)}.$ ###### Proof. Since $K(tu,tu)=0$, it follows from (K.1) that $K(tu,t)\ =\ \int_{tu}^{t}\frac{\partial K(tu,x)}{\partial x}\,dx\ =\ \int_{tu}^{t}\frac{(x-tu)}{x(1-x)}\,dx\ =\ \int_{u}^{1}\frac{t(v-u)}{v(1-tv)}\,dv.$ These formulae remain true if we replace $u$ with $0$. On the other hand, since $K(tu,tu)=0=\partial K(s,tu)/\partial s$ for $s=tu$, a suitable version of Taylor’s formula and (K.2) imply that $K(t,tu)\ =\ \int_{tu}^{t}(t-x)\frac{\partial^{2}}{\partial x^{2}}K(x,tu)\,dx\ =\ \int_{tu}^{t}\frac{(t-x)}{x(1-x)}\,dx\ =\ \int_{u}^{1}\frac{t(1-v)}{v(1-tv)}\,dv,$ But for any $v\in(0,1)$, $\frac{\partial}{\partial t}\log\frac{t}{1-tv}\ =\ \frac{1}{t(1-tv)}\ \in\ \Bigl{(}\frac{1}{t},\frac{1}{t(1-t)}\Bigr{)}\ =\ \bigl{(}\log^{\prime}(t),\mathop{\mathrm{logit}}\nolimits^{\prime}(t)\bigr{)}.$ Thus for $0<t<t^{\prime}<1$, $\frac{t^{\prime}}{1-t^{\prime}v}\Big{/}\frac{t}{1-tv}\ \in\ \Bigl{(}\frac{t^{\prime}}{t},\frac{t^{\prime}(1-t)}{(1-t^{\prime})t}\Bigr{)},$ and this entails the asserted inequalities for the three ratios $K(0,t^{\prime})/K(0,t)$, $K(t^{\prime}u,t^{\prime})/K(tu,t)$ and $K(t^{\prime},t^{\prime}u)/K(t,tu)$. ∎ #### (K.4) To verify Theorems 3.2, 3.4 and 5.1 we have to approximate $K$ by a simpler function $\tilde{K}$ given by $\tilde{K}(s,t)\ :=\ \frac{(s-t)^{2}}{2t(1-t)}.$ Indeed, for arbitrary $s,t\in(0,1)$ and $c:=\bigl{|}\mathop{\mathrm{logit}}\nolimits(s)-\mathop{\mathrm{logit}}\nolimits(t)\bigr{|}$, $\frac{K(s,t)}{\tilde{K}(s,t)},\frac{K(s,t)}{\tilde{K}(t,s)}\ \in\ [e^{-c},e^{c}].$ ###### Proof. It follows from (K.1-2) and Taylor’s formula that $K(s,t)\ =\ \frac{(s-t)^{2}}{2\xi(1-\xi)}$ for some $\xi$ between $\min\\{s,t\\}$ and $\max\\{s,t\\}$. Hence $\frac{K(s,t)}{\tilde{K}(s,t)}\ =\ \frac{t(1-t)}{\xi(1-\xi)}\quad\text{and}\quad\frac{K(s,t)}{\tilde{K}(t,s)}\ =\ \frac{s(1-s)}{\xi(1-\xi)}$ are both contained in $[e^{-c},e^{c}]$, according to (11). ∎ #### (K.5) For arbitrary $\gamma>0$ and $s\in[0,1]$, $t\in(0,1)$, the inequality $K(s,t)\leq\gamma$ implies that $(t-s)^{\pm}\ \leq\ \begin{cases}\sqrt{2\gamma s(1-s)}+(1-2s)^{\pm}\gamma,\\\ \sqrt{2\gamma t(1-t)}+(2t-1)^{\pm}\gamma.\end{cases}$ In particular, $|s-t|\ \leq\ \min\bigl{\\{}\sqrt{2s(1-s)\gamma},\sqrt{2t(1-t)\gamma}\bigr{\\}}+\gamma.$ ###### Proof. The first inequality has been proved by Dümbgen (1998), but for the reader’s convenience and the proof of the new part, a complete derivation is given here: For symmetry reasons, it suffices to consider the case $0\leq s<t<1$ and derive the upper bounds for $\delta:=t-s=(t-s)^{+}$. Let us first treat the case $s=0$: Here $K(s,t)=-\log(1-t)\geq t$. Thus $K(0,t)\leq\gamma$ implies that $\delta=t\leq\gamma=\sqrt{2\gamma s(1-s)}+(1-2s)\gamma$. Moreover, $\sqrt{2\gamma t(1-t)}+(2t-1)^{+}\gamma\geq t\bigl{(}\sqrt{2(1-t)}+(2t-1)^{+}\bigr{)}$, and elementary considerations show that $\sqrt{2(1-t)}+(2t-1)^{+}\geq 1$. Now let $0<s<t<1$ and $\delta:=t-s$. It follows from $K(s,s)=0$ and (K.1) that $K(s,t)\ =\ \int_{s}^{t}\frac{\partial K(s,y)}{\partial y}\,dy\ =\ \int_{0}^{\delta}\frac{x}{(s+x)(1-s-x)}\,dx\ \geq\ \int_{0}^{\delta}\frac{x}{s(1-s)+(1-2s)x}\,dx.$ In case of $s\geq 1/2$, the latter integral is not smaller than $\delta^{2}/(2s(1-s))$, and $K(s,t)\leq\gamma$ implies the upper bound $\delta\leq\sqrt{2\gamma s(1-s)}$. In case of $s<1/2$, we obtain the bound $K(s,t)\ \geq\ \int_{0}^{\delta}\frac{x}{\alpha+\beta x}\,dx\ =\ \frac{\delta}{\beta}-\frac{\alpha}{\beta^{2}}\log\Bigl{(}1+\frac{\beta\delta}{\alpha}\Bigr{)}\ =\ \frac{\alpha}{\beta^{2}}H\Bigl{(}\frac{\beta\delta}{\alpha}\Bigr{)}$ with $\alpha:=s(1-s)>0$, $\beta:=1-2s>0$ and the auxiliary function $H$ from Lemma 6.1. Consequently, the inequality $K(s,t)\leq\gamma$ entails that $H(\beta\delta/\alpha)\leq\beta^{2}\gamma/\alpha$, so $\delta\ \leq\ (\alpha/\beta)H^{-1}(\beta^{2}\gamma/\alpha)\ \leq\ \sqrt{2\gamma\alpha}+\beta\gamma\ =\ \sqrt{2\gamma s(1-s)}+(1-2s)\gamma.$ On the other hand, $K(s,t)\ =\ \int_{s}^{t}\frac{y-s}{y(1-y)}\,dy\ =\ \int_{0}^{\delta}\frac{\delta-x}{(t-x)(1-t+x)}\,dx\ \geq\ \int_{0}^{\delta}\frac{\delta-x}{t(1-t)+(2t-1)x}\,dx.$ In case of $t\leq 1/2$, the latter integral is at least $\delta^{2}/(2t(1-t))$, and we may conclude from $K(s,t)\leq\gamma$ that $\delta$ is bounded by $\sqrt{2\gamma t(1-t)}$. In case of $t>1/2$, we define $a:=t(1-t)>0$, $b:=2t-1>0$ and may write $K(s,t)\ \geq\ \int_{0}^{\delta}\frac{\delta-x}{a+bx}\,dx\ >\ \int_{0}^{\delta}\frac{x}{a+bx}\,dx\ =\ \frac{a}{b^{2}}H\Bigl{(}\frac{b\delta}{a}\Bigr{)}.$ The second inequality in the previous display follows from the fact that $f(x):=1/(a+bx)$ is strictly decreasing on $[0,\delta]$. Thus $\int_{0}^{\delta}(\delta-x)f(x)\,dx-\int_{0}^{\delta}xf(x)\,dx$ equals $\int_{0}^{\delta}(\delta-2x)f(x)\,dx\ =\ \int_{0}^{\delta}(\delta-2x)(f(x)-f(\delta/2))\,dx$ and is strictly positive. Hence the preceding considerations yield the upper bound $\sqrt{2\gamma a}+b\gamma=\sqrt{2\gamma t(1-t)}+(2t-1)\gamma$ for $\delta$. ∎ #### (K.6) For $s\in(0,1)$ and $\gamma>0$ let $b=b(s,\gamma)\in(s,1)$ solve the equation $K(s,b)\ =\ \gamma.$ Then $\frac{b-s}{sH^{-1}(\gamma/s)}\ \begin{cases}\leq\ 1,\\\ \to\ 1&\text{as}\ s,\gamma\to 0,\end{cases}$ (13) $\frac{b-s}{\sqrt{2\gamma s(1-s)}}\ \to\ 1\quad\text{as}\ \frac{\gamma}{s(1-s)}\to 0,$ (14) $\frac{b-s}{(1-s)\tilde{H}^{-1}(\gamma/(1-s))}\ \in\ [s,1].$ (15) ###### Proof. With $\delta:=(b-s)/s>0$ we may write $\frac{\gamma}{s}\ =\ \frac{K(s,s+s\delta)}{s}\ =\ H(\delta)+\frac{1-s}{s}\tilde{H}\Bigl{(}\frac{s\delta}{1-s}\Bigr{)}.$ Since $\tilde{H}\geq 0$, this implies that $H(\delta)\leq\gamma/s$, which is equivalent to $b-s\leq sH^{-1}(\gamma/s)$. On the other hand, it follows from the expansion $-\log(1-z)=\sum_{k=1}^{\infty}z^{k}/k=z+\tilde{H}(z)$ that $\frac{\gamma}{s}\ =\ H(\delta)+\frac{1-s}{s}\sum_{k=2}^{\infty}\Bigl{(}\frac{s\delta}{1-s}\Bigr{)}^{k}/k\ \leq\ H(\delta)+\frac{s\delta^{2}}{2(1-s-s\delta)}.$ As $c:=\max\\{s,\gamma\\}\to 0$, it follows from $\delta\leq H^{-1}(\gamma/s)\leq\sqrt{2\gamma/s}+\gamma/s$ that $\displaystyle 1-s-s\delta\ $ $\displaystyle\geq\ 1-s-\sqrt{2s\gamma}-\gamma\ =\ 1-O(c),$ $\displaystyle s\delta^{2}\ $ $\displaystyle\leq\ s\bigl{(}\sqrt{2\gamma/s}+\gamma/s\bigr{)}^{2}\ =\ O(c)\gamma/s,$ whence $\frac{\gamma}{s}\ \leq\ H(\delta)+O(c)\frac{\gamma}{s}.$ Consequently, $b-s\ \geq\ sH^{-1}\bigl{(}(1-O(c))\gamma/s\bigr{)}\ \geq\ (1-O(c))\,sH^{-1}(\gamma/s),$ the latter inequality following from concavity of $H^{-1}$. This proves (13). As to (14), let $c:=\sqrt{\gamma/(s(1-s))}<1/2$, and define the points $t(x)=t(s,\gamma,x):=s+\sqrt{2\gamma s(1-s)x}=s+cs(1-s)\sqrt{2x}$ for $x\in[0,2]$. Then $0\ <\ \mathop{\mathrm{logit}}\nolimits(t(x))-\mathop{\mathrm{logit}}\nolimits(s)\ <\ \log\frac{1+2c}{1-2c}\ \to\ 0\quad\text{as}\ c\to 0.$ Consequently, by (K.4), $K(s,t(x))\ =\ (1+o(1))\tilde{K}(t(x),s)\ =\ (1+o(1))\gamma x$ uniformly in $x\in[0,2]$. This shows that $b(s,\gamma)=t(1+o(1))=s+\sqrt{2\gamma s(1-s)}(1+o(1))$ as $c\to 0$. Finally, let $\delta:=(b-s)/(1-s)$. Then it follows from $\tilde{H}(z)\geq z^{2}/2\geq H(z)$ that $\frac{\gamma}{1-s}\ =\ \frac{s}{1-s}H\Bigl{(}\frac{1-s}{s}\delta\Bigr{)}+\tilde{H}(\delta)\ \begin{cases}\geq\ \tilde{H}(\delta),\\\ \leq\ (1-s)\delta^{2}/(2s)+\tilde{H}(\delta)\ \leq\ \tilde{H}(\delta)/s.\end{cases}$ Consequently, by concavity of $\tilde{H}^{-1}(\cdot)$, $s\tilde{H}^{-1}(\gamma/(1-s))\ \leq\ \tilde{H}^{-1}(s\gamma/(1-s))\ \leq\ \delta\ \leq\ \tilde{H}^{-1}(\gamma/(1-s)),$ which yields (15). ∎ ### 6.3 Proofs for Section 3 Before proving Lemma 3.1 let us recall that for $s\in\mathbb{R}$ and $t\in(0,1)$, $K(s,t)\ :=\ \sup_{\lambda\in\mathbb{R}}\,\bigl{(}\lambda s-\log(1-t+te^{\lambda})\bigr{)}\ =\ \begin{cases}\displaystyle s\log\frac{s}{t}+(1-s)\log\frac{1-s}{1-t}&\text{if}\ s\in[0,1],\\\ \infty&\text{else}.\end{cases}$ Indeed, Hoeffding (1963) showed that for a random variable $Y\sim\mathrm{Bin}(n,t)$ and $s\in\mathbb{R}$, $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits(Y\geq ns)\ $ $\displaystyle\leq\ \exp\Bigl{(}-n\sup_{\lambda\geq 0}\,\bigl{(}\lambda s-\log(1-t+te^{\lambda})\bigr{)}\Bigr{)}\ =\ \exp(-nK(s,t))\quad\text{if}\ s\geq t,$ $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits(Y\leq ns)\ $ $\displaystyle\leq\ \exp\Bigl{(}-n\sup_{\lambda\leq 0}\,\bigl{(}\lambda s-\log(1-t+te^{\lambda})\bigr{)}\Bigr{)}\ =\ \exp(-nK(s,t))\quad\text{if}\ s\leq t.$ ###### Proof of Lemma 3.1. We imitate and modify a martingale argument of Berk and Jones (1979, Lemma 4.3) which goes back to Kiefer (1973). Note first that $\widehat{G}_{n}(t)/t$ is a reverse martingale in $t\in(0,1)$, that means, $\mathop{\mathrm{I\\!E}}\nolimits\bigl{(}\widehat{G}_{n}(s)/s\,\big{|}\,(\widehat{G}_{n}(t^{\prime}))_{t^{\prime}\geq t}\bigr{)}\ =\ \widehat{G}_{n}(t)/t\quad\text{for}\ 0<s<t<1.$ Consequently, for $0<t<t^{\prime}<1$ and $0\leq u\leq 1$, $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\inf_{s\in[t,t^{\prime}]}\widehat{G}_{n}(s)/s\leq u\Bigr{)}\ $ $\displaystyle=\ \inf_{\lambda\leq 0}\,\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{s\in[t,t^{\prime}]}\exp(\lambda\widehat{G}_{n}(s)/s-\lambda u)\geq 1\Bigr{)}$ $\displaystyle\leq\ \inf_{\lambda\leq 0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda\widehat{G}_{n}(t)/t-\lambda u)$ by Doob’s inequality for non-negative submartingales. But $n\widehat{G}_{n}(t)\sim\mathrm{Bin}(n,t)$, so $\displaystyle\inf_{\lambda\leq 0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda\widehat{G}_{n}(t)/t-\lambda u)\ $ $\displaystyle=\ \inf_{\lambda\leq 0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp\bigl{(}\lambda n\widehat{G}(t)-n\lambda tu\bigr{)}$ $\displaystyle=\ \exp\Bigl{(}-n\sup_{\lambda\leq 0}\bigl{(}\lambda tu-\log(1-t+te^{\lambda})\bigr{)}\Bigr{)}$ $\displaystyle=\ \exp(-nK(tu,t)).$ Thus $\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\inf_{s\in[t,t^{\prime}]}\widehat{G}_{n}(s)/s\leq u\Bigr{)}\ \leq\ \exp(-nK(tu,t))\quad\text{for all}\ u\in[0,1].$ One may rewrite this inequality as $\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{s\in[t,t^{\prime}]}nK\bigl{(}t\min\\{\widehat{G}_{n}(s)/s,1\\},t\bigr{)}\geq\eta\Bigr{)}\ \leq\ \exp(-\eta)\quad\text{for all}\ \eta\geq 0.$ For if $\eta>-n\log(1-t)$, the probability on the left hand side equals $0$. Otherwise there exists a unique $u=u(t,\eta)\in[0,1]$ such that $nK(tu,t)=\eta$. But then $nK\bigl{(}t\min\\{\widehat{G}_{n}(s)/s,1\\},t\bigr{)}\geq\eta\quad\text{if, and only if,}\quad\widehat{G}_{n}(s)/s\leq u.$ Finally, it follows from property (K.3) of $K(\cdot,\cdot)$ that for $t\leq s\leq t^{\prime}$, $K\bigl{(}\min\\{\widehat{G}_{n}(s),s\\},s\bigr{)}\ =\ K\bigl{(}s\min\\{\widehat{G}_{n}(s)/s,1\\},s\bigr{)}\ \leq\ e^{c}K\bigl{(}t\min\\{\widehat{G}_{n}(s)/s,1\\},t\bigr{)}$ with $c:=\mathop{\mathrm{logit}}\nolimits(t^{\prime})-\mathop{\mathrm{logit}}\nolimits(t)$. Hence $\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{s\in[t,t^{\prime}]}nK\bigl{(}\min\\{\widehat{G}_{n}(s),s\\},s\bigr{)}\geq\eta\Bigr{)}\ \leq\ \exp(-e^{-c}\eta)\quad\text{for all}\ \eta\geq 0.$ Since $\bigl{(}\widehat{G}_{n}(t)\bigr{)}_{t\in(0,1)}$ has the same distribution as $\bigl{(}1-\widehat{G}_{n}((1-t)\,-)\bigr{)}_{t\in(0,1)}$, and because of the symmetry relations $K(s,t)=K(1-s,1-t)$ and $\mathop{\mathrm{logit}}\nolimits(1-t)=-\mathop{\mathrm{logit}}\nolimits(t)$, the previous inequality implies further that $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}$ $\displaystyle\sup_{s\in[t,t^{\prime}]}nK\bigl{(}\max\\{\widehat{G}_{n}(s),s\\},s\bigr{)}\geq\eta\Bigr{)}$ $\displaystyle=\ \mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{s\in[t,t^{\prime}]}nK\bigl{(}\min\\{1-\widehat{G}_{n}(s),1-s\\},1-s\bigr{)}\geq\eta\Bigr{)}$ $\displaystyle=\ \mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{s\in[1-t^{\prime},1-t]}nK\bigl{(}\min\\{\widehat{G}_{n}(s),s\\},s\bigr{)}\geq\eta\Bigr{)}$ $\displaystyle\leq\ \exp(-e^{-c}\eta)\quad\text{for all}\ \eta\geq 0.$ Consequently, since $K(\cdot,s)=\max\bigl{\\{}K(\min\\{\cdot,s\\},s),K(\max\\{\cdot,s\\},s)\bigr{\\}}$, $\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\sup_{s\in[t,t^{\prime}]}nK(\widehat{G}_{n}(s),s)\geq\eta\Bigr{)}\ \leq\ 2\exp(-e^{-c}\eta)\quad\text{for all}\ \eta\geq 0.$ ∎ ###### Proof of Theorem 3.2. For any fixed $\delta\in(0,1/2)$, it follows from Donsker’s invariance principle for the uniform empirical process and the continuous mapping theorem that $\sup_{t\in[-\delta,\delta]}\Bigl{(}\frac{\mathbb{U}_{n}(t)^{2}}{2t(1-t)}-C(t)-\nu D(t)\Bigr{)}\ \to_{\mathcal{L}}\ \sup_{[-\delta,\delta]}\bigl{(}X-C-\nu D\bigr{)},$ where $X(t)=\mathbb{U}(t)^{2}/(2t(1-t))$. With $X_{n}(t)=nK(\widehat{G}_{n}(t),t)$ it follows from property (K.4) of $K(\cdot,\cdot)$ that $\frac{\mathbb{U}_{n}(t)^{2}}{2t(1-t)}\ =\ n\tilde{K}(\widehat{G}_{n}(t),t)\ =\ X_{n}(t)(1+r_{n}(t))$ with $\sup_{t\in[\delta,1-\delta]}|r_{n}(t)|\ \leq\ \bigl{(}1-n^{-1/2}\delta^{-1}\|\mathbb{U}_{n}\|_{\infty}\bigr{)}^{-2}-1\ =\ O_{p}(n^{-1/2}).$ Thus $\sup_{[-\delta,\delta]}\bigl{(}X_{n}-C-\nu D\bigr{)}\ \to_{\mathcal{L}}\ \sup_{[-\delta,\delta]}\bigl{(}X-C-\nu D\bigr{)}.$ But Theorem 2.2 implies that for any $1<\nu^{\prime}<\nu$, the random variables $T_{n,\nu^{\prime}}$ and $T_{\nu^{\prime}}$ satisfy the inequalities $\mathop{\mathrm{I\\!P}}\nolimits(T_{n,\nu^{\prime}}>\eta)\leq M_{o}\exp(-L_{o}\eta)$ and $\mathop{\mathrm{I\\!P}}\nolimits(T_{\nu^{\prime}}>\eta)\leq M_{o}\exp(-L_{o}\eta)$ for arbitrary $\eta\in\mathbb{R}$ and some constants $L_{o}\in(0,1)$, $M_{o}\geq 1$. Consequently for any $\rho>0$, $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}$ $\displaystyle\sup_{[\delta,1-\delta]}(X_{n}-C-\nu D)<\sup_{(0,1)}(X_{n}-C-\nu D)\Bigr{)}$ $\displaystyle\leq\ \mathop{\mathrm{I\\!P}}\nolimits\bigl{(}T_{n,\nu^{\prime}}-(\nu-\nu^{\prime})D(\delta)>-\rho\bigr{)}+\mathop{\mathrm{I\\!P}}\nolimits\bigl{(}X_{n}(1/2)\leq-\rho\bigr{)}$ $\displaystyle\leq\ M_{o}\exp\bigl{(}L_{o}\rho- L_{o}(\nu-\nu^{\prime})D(\delta)\bigr{)}+\mathop{\mathrm{I\\!P}}\nolimits(X(1/2)\leq-\rho)+o(1)$ because $X_{n}(1/2)\to_{\mathcal{L}}X(1/2)$, and $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}$ $\displaystyle\sup_{[\delta,1-\delta]}(X-C-\nu D)<\sup_{(0,1)}(X-C-\nu D)\Bigr{)}$ $\displaystyle\leq\ M_{o}\exp\bigl{(}L_{o}\rho- L_{o}(\nu-\nu^{\prime})D(\delta)\bigr{)}+\mathop{\mathrm{I\\!P}}\nolimits(X(1/2)\leq-\rho).$ Setting $\rho=(\nu-\nu^{\prime})D(\delta)/2$, the limits of the right hand sides become arbitrarily small for sufficiently small $\delta$. This shows that $T_{n,\nu}=\sup_{(0,1)}\bigl{(}X_{n}-C-\nu D\bigr{)}$ converges in distribution to $T_{\nu}$. ∎ Our proof of Lemma 3.3 involves an exponential inequality for Beta distributions from Dümbgen (1998). For the reader’s convenience, its proof is included in the supplementary material. ###### Lemma 6.2. Let $s,t\in(0,1)$, and let $Y\sim\mathrm{Beta}(mt,m(1-t))$ for some $m>0$. Then $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits(Y\leq s)\ $ $\displaystyle\leq\ \inf_{\lambda\leq 0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda Y-\lambda s)\ \leq\ \exp(-mK(t,s))\quad\text{if}\ s\leq t,$ $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits(Y\geq s)\ $ $\displaystyle\leq\ \inf_{\lambda\geq 0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda Y-\lambda s)\ \leq\ \exp(-mK(t,s))\quad\text{if}\ s\geq t.$ ###### Proof of Lemma 3.3. We utilize a well-known representation of uniform order statistics: Let $E_{1},E_{2},\ldots,E_{n+1}$ be independent random variables with standard exponential distribution, i.e. $\mathrm{Gamma}(1)$, and let $S_{j}:=\sum_{i=1}^{j}E_{i}$. Then $(U_{ni})_{i=1}^{n}\ =_{\mathcal{L}}\ (S_{i}/S_{n+1})_{i=1}^{n}.$ In particular, $U_{n:i}\sim\mathrm{Beta}(i,n+1-i)=\mathrm{Beta}\bigl{(}(n+1)t_{ni},(n+1)(1-t_{ni})\bigr{)}$ and $\mathop{\mathrm{I\\!E}}\nolimits U_{n:i}=t_{ni}$. Furthermore, for $2\leq k\leq n+1$, the random vectors $(S_{i}/S_{k})_{i=1}^{k-1}$ and $(S_{i})_{i=k}^{n+1}$ are stochastically independent. This implies that $(U_{n:i}/t_{ni})_{i=1}^{n}$ is a reverse martingale, because for $1\leq j<k\leq n$, $\mathop{\mathrm{I\\!E}}\nolimits\Bigl{(}\frac{U_{n:j}}{t_{nj}}\,\Big{|}\,(S_{i})_{i=k}^{n+1}\Bigr{)}\ =\ \mathop{\mathrm{I\\!E}}\nolimits\Bigl{(}\frac{S_{j}}{t_{nj}S_{k}}\cdot\frac{S_{k}}{S_{n+1}}\,\Big{|}\,(S_{i})_{i=k}^{n+1}\Bigr{)}\ =\ \frac{j}{t_{nj}k}\cdot\frac{S_{k}}{S_{n+1}}\ =\ \frac{U_{n:k}}{t_{nk}}.$ Consequently, for $1\leq j\leq k\leq n$ and $0<u<1$, it follows from Doob’s inequality and Lemma 6.2 that $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\min_{j\leq i\leq k}\frac{U_{n:i}}{t_{ni}}\leq u\Bigr{)}\ $ $\displaystyle=\ \inf_{\lambda<0}\,\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\min_{j\leq i\leq k}\exp\Bigl{(}\lambda\frac{U_{n:i}}{t_{ni}}-\lambda u\Bigr{)}\geq 1\Bigr{)}$ $\displaystyle\leq\ \inf_{\lambda<0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp\bigl{(}\lambda U_{n:j}-\lambda ut_{nj}\bigr{)}$ $\displaystyle\leq\ \exp\bigl{(}-(n+1)K(t_{nj},t_{nj}u)\bigr{)}.$ Again one may reformulate the previous inequalities as follows: For any $\eta>0$, $\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\max_{j\leq i\leq k}(n+1)K\Bigl{(}t_{nj},t_{nj}\min\Bigl{\\{}\frac{U_{n:i}}{t_{ni}},1\Bigr{\\}}\Bigr{)}\geq\eta\Bigr{)}\ \leq\ \exp(-\eta).$ But property (K.3) of $K(\cdot,\cdot)$ implies that for $j\leq i\leq k$, $K\bigl{(}t_{ni},\min\\{U_{n:i},t_{ni}\\}\bigr{)}\ \leq\ e^{c}K\Bigl{(}t_{nj},t_{nj}\min\Bigl{\\{}\frac{U_{n:i}}{t_{ni}},1\Bigr{\\}}\Bigr{)}$ with $c:=\mathop{\mathrm{logit}}\nolimits(t_{nk})-\mathop{\mathrm{logit}}\nolimits(t_{nj})$. Consequently, $\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\max_{j\leq i\leq k}(n+1)K\bigl{(}t_{ni},\min\\{U_{n:i},t_{ni}\\}\bigr{)}\geq\eta\Bigr{)}\ \leq\ \exp(-e^{-c}\eta)\quad\text{for all}\ \eta>0.$ Since $(1-U_{n:n+1-i})_{i=1}^{n}$ has the same distribution as $(U_{n:i})_{i=1}^{n}$, a symmetry argument as in the proof of Lemma 3.1 reveals that $\mathop{\mathrm{I\\!P}}\nolimits\Bigl{(}\max_{j\leq i\leq k}(n+1)K(t_{ni},U_{n:i})\geq\eta\Bigr{)}\ \leq\ 2\exp(-e^{-c}\eta)\quad\text{for all}\ \eta>0.$ ∎ ###### Proof of Theorem 3.4. One can use essentially the same arguments as in the proof of Theorem 3.2. This time one has to utilize the well-known fact that $(U_{n:i})_{i=1}^{n}\ =\ \bigl{(}t_{ni}+n^{-1/2}\mathbb{V}_{n}(t_{ni})\bigr{)}_{i=1}^{n}$ where the uniform quantile process $\mathbb{V}_{n}$ with $\mathbb{V}_{n}(t):=\sqrt{n}(\widehat{G}_{n}^{-1}(t)-t)$ converges in distribution in $\ell_{\infty}([0,1])$ to a Brownian bridge $\mathbb{V}$; see e.g. Shorack and Wellner (1986), pages 86, 93, and 637-644. ∎ ### 6.4 Proofs for Sections 4 and 5 ###### Proof of Lemma 4.1. Suppose that $T_{n,\nu}(F_{o})\leq\kappa$. Then the inequalities in (K.5) imply that $|\widehat{F}_{n}-F_{o}|\ \leq\ \sqrt{2\tilde{\Gamma}(F_{o})F_{o}(1-F_{o})/n}+\tilde{\Gamma}(F_{o})/n,$ where $\tilde{\Gamma}(t):=C(t)+\nu D(t)+\kappa$. Multiplying this inequality with $n$ and utilizing the triangle inequality $|\widehat{F}_{n}-F_{o}|\geq|F-F_{o}|-|\widehat{F}_{n}-F|$ leads to $n|F-F_{o}|\ \leq\ \sqrt{2n\tilde{\Gamma}(F_{o})F_{o}(1-F_{o})}+\tilde{\Gamma}(F_{o})+n|\widehat{F}_{n}-F|.$ (16) Now our goal is to get rid of the term $n|\widehat{F}_{n}-F|$ on the right hand side. Defining the auxiliary stochastic process $W_{n}\ :=\ \frac{n(\widehat{F}_{n}-F)^{2}}{F(1-F)}$ with the convention $0/0:=0$, we may rewrite (16) as $\displaystyle n|F-F_{o}|\ $ $\displaystyle\leq\ \sqrt{2n\tilde{\Gamma}(F_{o})F_{o}(1-F_{o})}+\tilde{\Gamma}(F_{o})+\sqrt{W_{n}nF(1-F)}$ $\displaystyle\leq\ \sqrt{2n\tilde{\Gamma}(F_{o})F_{o}(1-F_{o})}+\tilde{\Gamma}(F_{o})+\sqrt{W_{n}nF_{o}(1-F_{o})}+\sqrt{W_{n}n|F-F_{o}|}$ $\displaystyle\leq\ \sqrt{n(4\tilde{\Gamma}(F_{o})+2W_{n})F_{o}(1-F_{o})}+\tilde{\Gamma}(F_{o})+\sqrt{W_{n}n|F-F_{o}|},$ (17) where we utilized the inequalities $|a(1-a)-b(1-b)|\leq|a-b|$ for $a,b\in[0,1]$ and $\sqrt{c+d}\leq\sqrt{c}+\sqrt{d}\leq\sqrt{2c+2d}$ for $c,d\geq 0$. Note that inequality (17) is of the form $Y_{n}\leq V_{n}+\sqrt{W_{n}Y_{n}}$ with the nonnegative processes $Y_{n}=n|F-F_{o}|$ and $V_{n}=\sqrt{n(4\tilde{\Gamma}(F_{o})+2W_{n})F_{o}(1-F_{o})}+\tilde{\Gamma}(F_{o})$. But $Y_{n}\leq V_{n}+\sqrt{W_{n}Y_{n}}$ is equivalent to $Y_{n}/V_{n}\leq 1+\sqrt{W_{n}/V_{n}}\sqrt{Y_{n}/V_{n}}$, and this may be rewritten as $\bigl{(}\sqrt{Y_{n}/V_{n}}-\sqrt{W_{n}/V_{n}}/2\bigr{)}^{2}\leq 1+(W_{n}/V_{n})/4$, so $\sqrt{Y_{n}/V_{n}}\ \leq\ \sqrt{W_{n}/V_{n}}/2+\sqrt{1+(W_{n}/V_{n})/4}\ \leq\ 1+\sqrt{W_{n}/V_{n}}.$ Consequently, $\displaystyle n|F-F_{o}|\ $ $\displaystyle\leq\ \bigl{(}1+\sqrt{W_{n}/V_{n}}\bigr{)}^{2}\Bigl{(}\sqrt{n(4\tilde{\Gamma}(F_{o})+2W_{n})F_{o}(1-F_{o})}+\tilde{\Gamma}(F_{o})\Bigr{)}$ $\displaystyle\leq\ \bigl{(}1+\sqrt{W_{n}/\kappa}\bigr{)}^{2}\sqrt{4+2W_{n}/\kappa}\Bigl{(}\sqrt{n\tilde{\Gamma}(F_{o})F_{o}(1-F_{o})}+\tilde{\Gamma}(F_{o})\Bigr{)}$ $\displaystyle\leq\ 2\bigl{(}1+\sqrt{W_{n}/\kappa}\bigr{)}^{5/2}\Bigl{(}\sqrt{n\tilde{\Gamma}(F_{o})F_{o}(1-F_{o})}+\tilde{\Gamma}(F_{o})\Bigr{)},$ because $V_{n}\geq\tilde{\Gamma}(F_{o})\geq\kappa$. Finally, since $B^{\prime}=B^{\prime}_{\nu,\kappa}:=\max\bigl{\\{}\sup_{(0,1)}\tilde{\Gamma}/\Gamma,1\bigr{\\}}<\infty$, we obtain the inequality $\frac{n|F-F_{o}|}{\sqrt{n\Gamma(F_{o})F_{o}(1-F_{o})}+\Gamma(F_{o})}\ \leq\ 2B^{\prime}\bigl{(}1+\sqrt{W_{n}/\kappa}\bigr{)}^{5/2}\quad\text{if}\ T_{n,\nu}(F_{o})\leq\kappa.$ (18) On the left hand side stands a function $\Delta_{n}=\Delta_{n}(\cdot,F,F_{o})$, and its supremum over $\mathbb{R}$ equals $\Delta_{n}(F,F_{o})$. Thus it suffices to show that for a suitable constant $B_{\nu,\kappa}$, $\mathop{\mathrm{I\\!P}}\nolimits_{F}\Bigl{(}2B^{\prime}\bigl{(}1+\sqrt{W_{n}(x)/\kappa}\bigr{)}^{5/2}\geq\Delta_{n}(x)\Bigr{)}\ \leq\ B_{\nu,\kappa}\,\Delta_{n}(x)^{-4/5}$ for any $x\in\mathbb{R}$. Indeed, $2B^{\prime}\bigl{(}1+\sqrt{W_{n}(x)/\kappa}\bigr{)}^{5/2}\geq\Delta_{n}(x)$ is equivalent to $W_{n}(x)\ \geq\ \kappa\max\bigl{\\{}0,\Delta_{n}(x)^{2/5}(2B^{\prime})^{-2/5}-1\bigr{\\}}^{2}.$ Since $\mathop{\mathrm{I\\!E}}\nolimits W_{n}(x)\leq 1$, it follows from Markov’s inequality that the latter inequality occurs with probability at most $\kappa^{-1}\max\bigl{\\{}0,\Delta_{n}(x)^{2/5}(2B^{\prime})^{-2/5}-1\bigr{\\}}^{-2}\ =\ \max\bigl{\\{}0,B^{\prime\prime}\Delta_{n}(x)^{2/5}-\kappa^{1/2}\bigr{\\}}^{-2}$ with a certain constant $B^{\prime\prime}=B^{\prime\prime}_{\nu,\kappa}$. This bound is trivial if $B^{\prime\prime}\Delta_{n}(x)^{2/5}<1+\kappa^{1/2}$, which is equivalent to $\Delta_{n}(x)^{4/5}<B_{\nu,\kappa}:=(1+\kappa^{1/2})^{2}/(B^{\prime\prime})^{2}$. Otherwise, $\displaystyle\max\bigl{\\{}$ $\displaystyle 0,B^{\prime\prime}\Delta_{n}(x)^{2/5}-\kappa^{1/2}\bigr{\\}}^{-2}$ $\displaystyle=\ \bigl{(}B^{\prime\prime}-\kappa^{1/2}\Delta_{n}(x)^{-2/5}\bigr{)}^{-2}\Delta_{n}(x)^{-4/5}\ \leq\ B\Delta_{n}^{-4/5}.$ ∎ ###### Proof of Lemma 4.2. In what follows we use frequently the elementary inequalities $\frac{\phi(x)}{x+1}\leq\ \Phi(-x)\ \leq\ \frac{\phi(x)}{x}\quad\text{for}\ x>0,$ (19) where $\phi(x):=\Phi^{\prime}(x)=\exp(-x^{2}/2)/\sqrt{2\pi}$. In particular, as $x\to\infty$, $\displaystyle\Phi(-x)\ $ $\displaystyle=\ \exp(-x^{2}/2+O(\log x))\quad\text{and}$ $\displaystyle C(\Phi(x))\ $ $\displaystyle=\ \log\bigl{(}O(1)+\log(1/\Phi(-x))\bigr{)}\ =\ 2\log(x)-\log(2)+o(1).$ Now consider two sequences $(x_{n})_{n}$ and $(\mu_{n})_{n}$ tending to $\infty$ and $F_{o}=\Phi$, $F_{n}=(1-\varepsilon_{n})\Phi+\varepsilon_{n}\Phi(\cdot-\mu_{n})$. Then the inequalities (19) imply that $\displaystyle\Gamma(F_{o}(x_{n}))F_{o}(x_{n})(1-F_{o}(x_{n}))\ $ $\displaystyle=\ (2\log(x_{n})+O(1))\Phi(-x_{n})(1+o(1))$ $\displaystyle=\ \exp\bigl{(}-x_{n}^{2}/2+O(\log(x_{n}))\bigr{)}.$ Moreover, $F_{o}(x_{n})-F_{n}(x_{n})\ =\ \varepsilon_{n}\bigl{(}\Phi(\mu_{n}-x_{n})-\Phi(-x_{n})\bigr{)}\ =\ \varepsilon_{n}\Phi(\mu_{n}-x_{n})(1+o(1)),$ because $\Phi(-x_{n})\leq\phi(x_{n})/x_{n}$ while $\Phi(\mu_{n}-x_{n})\ \geq\ \begin{cases}1/2&\text{if}\ \mu_{n}\geq x_{n},\\\ \displaystyle\frac{\phi(x_{n}-\mu_{n})}{x_{n}-\mu_{n}+1}\ \geq\ \frac{\phi(x_{n})\exp(\mu_{n}^{2}/2)}{x_{n}+1}&\text{if}\ \mu_{n}<x_{n}.\end{cases}$ Consequently, $\Delta_{n}(F_{n},\Phi)\to\infty$ if $\frac{n\varepsilon_{n}\Phi(\mu_{n}-x_{n})}{n^{1/2}\exp\bigl{(}-x_{n}^{2}/4+O(\log(x_{n}))\bigr{)}+O(\log(x_{n}))}\ \to\ \infty.$ (20) In part (a) with $\varepsilon_{n}=n^{-\beta+o(1)}$ and $\beta\in(1/2,1)$ we imitate the arguments of Donoho and Jin (2004) and consider $\mu_{n}\ =\ \sqrt{2r\log(n)}\quad\text{and}\quad x_{n}\ =\ \sqrt{2q\log(n)}$ with $0<r<q\leq 1$. Then by (19), $\displaystyle n\varepsilon_{n}\Phi(\mu_{n}-x_{n})\ $ $\displaystyle=\ n^{1-\beta-(\sqrt{q}-\sqrt{r})^{2}+o(1)},$ $\displaystyle n^{1/2}\exp\bigl{(}-x_{n}^{2}/4+O(\log(x_{n}))\bigr{)}\ $ $\displaystyle=\ n^{1/2-q/2+o(1)},$ $\displaystyle O(\log(x_{n}))\ $ $\displaystyle=\ n^{o(1)},$ so the left hand side of (20) equals $\frac{n^{1-\beta-(\sqrt{q}-\sqrt{r})^{2}+o(1)}}{n^{1/2-q/2+o(1)}+n^{o(1)}}\ =\ \frac{n^{1/2-\beta+q/2-(\sqrt{q}-\sqrt{r})^{2}+o(1)}}{1+n^{(q-1)/2+o(1)}}\ =\ \frac{n^{1/2-\beta+2\sqrt{r}\sqrt{q}-\sqrt{q}^{2}/2-r+o(1)}}{1+n^{(q-1)/2+o(1)}}.$ The exponent in the enumerator is maximal in $q\in(r,1]$ if $\sqrt{q}=\min\\{2\sqrt{r},1\\}$, i.e. $q=\min\\{4r,1\\}$, and this leads to $\begin{cases}1/2-\beta+r&\text{if}\ r\leq 1/4,\\\ 1-\beta-(1-\sqrt{r})^{2}&\text{if}\ r\geq 1/4.\end{cases}$ Thus when $\beta\in(1/2,3/4)$ we should choose $r\in(\beta-1/2,1/4)$ and $q=4r$. When $\beta\in[3/4,1)$ we should choose $r\in\Bigl{(}\bigl{(}1-\sqrt{1-\beta}\bigr{)}^{2},1\Bigr{)}$ and $q=1$. As to part (b), we consider the more general setting that $\varepsilon_{n}=n^{-\beta+o(1)}$ for some $\beta\in[1/2,3/4)$, where $\pi_{n}=\sqrt{n}\varepsilon_{n}\to 0$. The latter constraint is trivial when $\beta>1/2$ but relevant when $\beta=1/2$. Now we consider $\mu_{n}\ :=\ \sqrt{2s\log(1/\pi_{n})}\quad\text{and}\quad x_{n}\ :=\ \sqrt{2q\log(1/\pi_{n})}$ with arbitrary constants $0<s<q$. Now $\displaystyle n\varepsilon_{n}\Phi(\mu_{n}-x_{n})\ $ $\displaystyle=\ n^{1/2}\pi_{n}\Phi(\mu_{n}-x_{n})$ $\displaystyle=\ n^{1/2}\pi_{n}^{1+(\sqrt{q}-\sqrt{s})^{2}+o(1)},$ $\displaystyle n^{1/2}\exp\bigl{(}-x_{n}^{2}/4+O(\log(x_{n}))\bigr{)}\ $ $\displaystyle=\ n^{1/2}\pi_{n}^{q/2+o(1)},$ $\displaystyle O(\log(x_{n}))\ $ $\displaystyle=\ \pi_{n}^{o(1)},$ so the left hand side of (20) equals $\frac{n^{1/2}\pi_{n}^{1+(\sqrt{q}-\sqrt{s})^{2}+o(1)}}{n^{1/2}\pi_{n}^{q/2+o(1)}+\pi_{n}^{o(1)}}\ =\ \frac{\pi_{n}^{1+\sqrt{q}^{2}/2-2\sqrt{q}\sqrt{s}+s+o(1)}}{1+n^{-1/2}\pi_{n}^{-q/2+o(1)}}\ =\ \frac{\pi_{n}^{1+\sqrt{q}^{2}/2-2\sqrt{q}\sqrt{s}+s+o(1)}}{1+n^{-1/2+(\beta-1/2)q/2+o(1)}}.$ The exponent of $\pi_{n}$ becomes minimal in $q\in(s,\infty)$ if $\sqrt{q}=2\sqrt{s}$, i.e. $q=4s$. Then we obtain $\frac{\pi_{n}^{1-s+o(1)}}{1+n^{-1/2+(2\beta-1)s+o(1)}}\ =\ \frac{\pi_{n}^{1-s+o(1)}}{1+\sqrt{n}^{(4\beta-2)s-1+o(1)}},$ and this converges to $\infty$ if the exponents of $\pi_{n}$ and $\sqrt{n}$ are negative and non-positive, respectively. This is the case if $1<s\leq 1/(4\beta-2)$. (Note that $4\beta-2<1$ because $\beta<3/4$.) ∎ ###### Proof of Theorem 5.1. By symmetry it suffices to analyze the differences $b_{nj}-s_{nj}$ and $b_{nj}^{\rm BJO}-s_{nj}$ for $0\leq j<n$. Recall the notation $b(s,\gamma)$ for the unique number $b\in(s,1)$ such that $K(s,b)=\gamma$, introduced in (K.6). There we considered only $s\in(0,1)$, but it follows from $K(0,b)=-\log(1-b)$ that $b(0,\gamma)=1-\exp(-\gamma)=\gamma+o(1)$ as $\gamma\to 0$. For $0\leq j<n$, we may write $b_{nj}^{\rm BJO}\ =\ b(s_{nj},\gamma_{n}^{\rm BJO})\quad\text{and}\quad b_{nj}\ \leq\ b(t_{n,j+1},\gamma_{n}(t_{n1}))$ Recall that $\gamma_{n}^{\rm BJ}\ =\ \frac{\log\log n}{n}(1+o(1))\quad\text{and}\quad\gamma_{n}(t_{n1})\ =\ \frac{\log\log n}{n}(1+o(1)).$ Moreover, since $K(s_{nj},\cdot)$ is convex on $[s_{nj},1)$, the numbers $b(s_{nj},\gamma)$ are concave in $\gamma\geq 0$. In particular, with $\tilde{\gamma}_{n}$ denoting the maximum of $\gamma_{n}^{\rm BJO}$ and $\gamma_{n}(t_{n1})$, $\frac{b_{nj}^{\rm BJO}-s_{nj}}{b(s_{nj},\tilde{\gamma}_{n})-s_{nj}}\ \geq\ \frac{\gamma_{n}^{\rm BJ}}{\tilde{\gamma}_{n}}\ \to\ 1$ uniformly in $0\leq j<n$. Hence it suffices to show that $\limsup_{n\to\infty}\,\max_{0\leq j<n}\frac{b(t_{n,j+1},\tilde{\gamma}_{n})-s_{nj}}{b(s_{nj},\tilde{\gamma}_{n})-s_{nj}}\ \leq\ 1.$ (21) First we consider indices $j\leq j(n,1):=\lceil(\log\log n)^{1/2}\rceil$. Note that for $j=0$, $b(s_{nj},\tilde{\gamma}_{n})-s_{nj}\ =\ b(0,\tilde{\gamma}_{n})\ =\ \tilde{\gamma}_{n}(1+o(1)),$ and we may deduce from (13) and $\lim_{y\to\infty}H^{-1}(y)/y=1$ that uniformly in $1\leq j\leq j(n,1)$, $\displaystyle b(s_{nj},\tilde{\gamma}_{n})-s_{nj}\ $ $\displaystyle\geq\ (1+o(1))s_{nj}H^{-1}(\tilde{\gamma}_{n}/s_{nj})$ $\displaystyle=\ (1+o(1))\tilde{\gamma}_{n}\frac{H^{-1}(n\tilde{\gamma}_{n}/j)}{n\tilde{\gamma}_{n}/j}$ $\displaystyle\geq\ \tilde{\gamma}_{n}(1+o(1)).$ On the other hand, since $t_{n,j+1}-s_{nj}\ =\ \frac{1-s_{nj}}{n+1}\ <\ n^{-1}\ =\ o(\tilde{\gamma}_{n}),$ we may conclude that uniformly in $0\leq j\leq j(n,1)$, $\displaystyle b(t_{n,j+1},\tilde{\gamma}_{n})-s_{nj}\ $ $\displaystyle\leq\ b(t_{n,j+1},\tilde{\gamma}_{n})-t_{n,j+1}+n^{-1}$ $\displaystyle\leq\ t_{n,j+1}H^{-1}(\tilde{\gamma}_{n}/t_{n,j+1})+n^{-1}$ $\displaystyle=\ \tilde{\gamma}_{n}\frac{H^{-1}(\tilde{\gamma}_{n}/t_{n,j+1})}{\tilde{\gamma}_{n}/t_{n,j+1}}+n^{-1}$ $\displaystyle\leq\ \tilde{\gamma}_{n}(1+o(1)).$ Hence (21) holds true if we restrict $j$ to the interval $\\{0,\ldots,j(n,1)\\}$. Next we consider indices $j$ between $j(n,1)$ and $j(n,2):=\lceil n\tilde{\gamma}_{n}^{1/3}\rceil$, i.e. $j(n,2)/n\to 0$ and $t_{n,j+1}/s_{nj}\to 1$ uniformly in $j(n,1)\leq j\leq j(n,2)$. Then it follows from (13), together with $H^{-1}(y)\geq y$ and monotonicity of $H^{-1}(\cdot)$, that uniformly in $j_{n1}\leq j\leq j_{n2}$, $\displaystyle\frac{b(t_{n,j+1},\tilde{\gamma}_{n})-s_{nj}}{b(s_{nj},\tilde{\gamma}_{n})-s_{nj}}\ $ $\displaystyle=\ (1+o(1))\frac{t_{n,j+1}H^{-1}(\tilde{\gamma}_{n}/t_{n,j+1})+n^{-1}}{s_{nj}H^{-1}(\tilde{\gamma}_{n}/s_{nj})}$ $\displaystyle=\ (1+o(1))\frac{t_{n,j+1}H^{-1}(\tilde{\gamma}_{n}/t_{n,j+1})}{s_{nj}H^{-1}(\tilde{\gamma}_{n}/s_{nj})}$ $\displaystyle\leq\ (1+o(1))\frac{t_{n,j+1}}{s_{nj}}$ $\displaystyle=\ 1+o(1).$ Hence (21) is satisfied with $\\{j(n,1),\ldots,j(n,2)\\}$ in place of $\\{0,1,\ldots,n-1\\}$. Now consider $j(n,3):=n-j(n,2)$. Uniformly in $j(n,2)\leq j\leq j(n,3)$, the product $s_{nj}(1-s_{nj})$ is larger than $\tilde{\gamma}_{n}^{1/3}(1+o(1))$, so $\tilde{\gamma}_{n}/(s_{nj}(1-s_{nj}))\to 0$. Moreover, $\mathop{\mathrm{logit}}\nolimits(t_{n,j+1})-\mathop{\mathrm{logit}}\nolimits(s_{nj})\to 0$, and it follows from (14) that $\displaystyle\frac{b(t_{n,j+1},\tilde{\gamma}_{n})-s_{nj}}{b(j/n,\tilde{\gamma}_{n})-s_{nj}}\ $ $\displaystyle\leq\ (1+o(1))\frac{\sqrt{2\tilde{\gamma}_{n}t_{n,j+1}(1-t_{n,j+1})}+n^{-1}}{\sqrt{2\tilde{\gamma}_{n}s_{nj}(1-s_{nj})}}$ $\displaystyle=\ 1+o(1)+O(\tilde{\gamma}_{n}^{-1/3}n^{-1})$ $\displaystyle=\ 1+o(1)$ uniformly in $j(n,2)\leq j\leq j(n,3)$. Finally, we may conclude from (15), concavity of $\tilde{H}^{-1}(\cdot)$ and the inequality $H^{-1}(y)\geq 1-e^{-y}$ that that uniformly for $j(n,3)\leq j\leq n-1$, $\displaystyle\frac{b(t_{n,j+1},\tilde{\gamma}_{n})-s_{nj}}{b(j/n,\tilde{\gamma}_{n})-s_{nj}}\ $ $\displaystyle\leq\ (1+o(1))\frac{(1-t_{n,j+1})\tilde{H}^{-1}(\tilde{\gamma}_{n}/(1-t_{n,j+1}))+(1-s_{nj})/n}{(1-s_{nj})\tilde{H}^{-1}(\tilde{\gamma}_{n}/(1-s_{nj}))}$ $\displaystyle\leq\ (1+o(1))\Bigl{(}1+\frac{(1-s_{nj})/n}{(1-t_{n,j+1})\tilde{H}^{-1}(\tilde{\gamma}_{n}/(1-t_{n,j+1}))}\Bigr{)}$ $\displaystyle=\ (1+o(1))\bigl{(}1+O(n^{-1}\tilde{\gamma}_{n}^{-2/3})\bigr{)}$ $\displaystyle=\ 1+o(1).$ These considerations prove (21). It remains to analyze the maximum of $b_{nj}^{\rm BJO}-s_{nj}$ and $b_{nj}-s_{nj}$, respectively, over $j=0,1,\ldots,n$. Note first that by (K.5), $b_{nj}^{\rm BJO}-s_{nj}\ \leq\ \sqrt{2\tilde{\gamma}_{n}s_{nj}(1-s_{nj})}+\tilde{\gamma}_{n}\ \leq\ \sqrt{\tilde{\gamma}_{n}/2}+\tilde{\gamma}_{n}\ =\ (1+o(1))\sqrt{\frac{\log\log n}{2n}}.$ On the other hand, for $j(n):=\lfloor(n+1)/2\rfloor$, (14) implies that $b_{n,j(n)}^{\rm BJO}-s_{n,j(n)}\ \geq\ (1+o(1))\sqrt{2\gamma_{n}^{\rm BJ}s_{n,j(n)}(1-s_{n,j(n)})}\ =\ (1+o(1))\sqrt{\frac{\log\log n}{2n}}.$ This proves the assertion about $\max_{j}(b_{nj}^{\rm BJO}-s_{nj})$. As to the new confidence bounds, note first that by (K.5), $\displaystyle b_{nj}-s_{nj}\ $ $\displaystyle\leq\ b_{nj}-t_{nj}+n^{-1}$ $\displaystyle\leq\ \sqrt{2\gamma_{n}(t_{nj})t_{nj}(1-t_{nj})}+\gamma_{n}(t_{n1})+n^{-1}$ $\displaystyle\leq\ n^{-1/2}\sqrt{h(t_{nj})+2t_{nj}(1-t_{nj})\tilde{\kappa}_{n,\nu,\alpha}}+O(n^{-1}\log\log n),$ where $h(t):=2t(1-t)\bigl{(}C(t)+\nu D(t)\bigr{)}$ is a continuous function on $(0,1)$ with limit $0$ as $t\to\\{0,1\\}$. Consequently, $\sup_{(0,1)}h$ is finite and $\max_{j=0,1,\ldots,n}\,(b_{nj}-s_{nj})\ \leq\ n^{-1/2}\sqrt{\sup_{(0,1)}h+\tilde{\kappa}_{n,\nu,\alpha}/2}+O(n^{-1}\log\log n)\ =\ O(n^{-1/2}).$ ∎ #### Acknowledgements. We are grateful to Guenther Walther for stimulating talks about likelihood ratio tests in nonparametric settings. In particular, Rivera and Walther (2013) inspired us to reformulate the Law of the Iterated Logarithm in terms of processes with subexponential tails. Many thanks go to Rudy Beran for drawing our attention to Bahadur and Savage (1956). ## References * [1] S. Aldor-Noiman, L. D. Brown, A. Buja, W. Rolke, and R. A. Stine, The power to see: A new graphical test of normality, Amer. Statist., 67 (2013), pp. 249–260. * [2] R. R. Bahadur and L. J. Savage, The nonexistence of certain statistical procedures in nonparametric problems, Ann. Math. Statist., 27 (1956), pp. 1115–1122. * [3] R. H. Berk and D. H. 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Second printing, corrected, Die Grundlehren der mathematischen Wissenschaften, Band 125. * [10] L. Jager and J. A. Wellner, Goodness-of-fit tests via phi-divergences, Ann. Statist., 35 (2007), pp. 2018–2053. * [11] J. Kiefer, Iterated logarithm analogues for sample quantiles when $p_{n}\downarrow 0$, in Proceedings of the 6th Berkeley Symposium on Mathematical Statistics and Probability, vol. 1, University of California, 1973, pp. 227–244. * [12] L. Le Cam and G. L. Yang, Asymptotics in statistics – Some basic concepts, Springer Series in Statistics, Springer-Verlag, New York, second ed., 2000. * [13] D. M. Mason and J. H. Schuenemeyer, A modified Kolmogorov-Smirnov test sensitive to tail alternatives, Ann. Statist., 11 (1983), pp. 933–946. * [14] A. B. Owen, Nonparametric likelihood confidence bands for a distribution function, J. Amer. Statist. Assoc., 90 (1995), pp. 516–521. * [15] C. Rivera and G. Walther, Optimal detection of a jump in the intensity of a Poisson process or in a density with likelihood ratio statistics, Scand. J. Statist., 40 (2013), pp. 752–769. * [16] G. R. Shorack and J. A. Wellner, Empirical processes with applications to statistics, Wiley Series in Probability and Mathematical Statistics: Probability and Mathematical Statistics, John Wiley & Sons Inc., New York, 1986. ## 7 Supplementary material ### 7.1 A remark on moment-generating functions Somewhat hidden in our proofs of Lemmas 3.1 and 3.3 is a basic fact about moment generating functions which is stated in a slightly different form by Rivera and Walther (2013) and possibly of independent interest: Suppose that $X$ is a real-valued random variable with mean $\mu$ and moment-generating function $m_{X}$, $m_{X}(t)\ :=\ \mathop{\mathrm{I\\!E}}\nolimits\exp(tX).$ We assume that $m_{X}<\infty$ in a neighborhood of zero. In particular, all moments of $X$ are finite. A standard application of Markov’s inequality yields $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits(X\geq x)\ $ $\displaystyle\leq\ \exp\bigl{(}-K(x)\bigr{)}\quad\text{for all}\ x\geq\mu,$ $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits(X\leq x)\ $ $\displaystyle\leq\ \exp\bigl{(}-K(x)\bigr{)}\quad\text{for all}\ x\leq\mu,$ where $K(x)\ :=\ \sup_{t\in\mathbb{R}}\bigl{(}tx-\log m_{X}(t)\bigr{)}\ \begin{cases}\displaystyle=\ \sup_{t\geq 0}\bigl{(}tx-\log m_{X}(t)\bigr{)}&\text{if}\ x\geq\mu,\\\ \displaystyle=\ \sup_{t\leq 0}\bigl{(}tx-\log m_{X}(t)\bigr{)}&\text{if}\ x\leq\mu.\end{cases}$ The latter facts follow from the fact that $\log m_{X}$ is a convex function with derivative $\mu$ at $0$. Note also that $K:\mathbb{R}\to[0,\infty]$ is a convex, lower semi-continuous function with $K(\mu)=0$ and $\lim_{|x|\to\infty}K(x)=\infty$. From this one can derive the following inequalities: ###### Lemma 7.1. For arbitrary $\eta>0$, $\left.\begin{array}[]{c}\mathop{\mathrm{I\\!P}}\nolimits(K(X)\geq\eta\ \text{and}\ X\geq\mu)\\\ \mathop{\mathrm{I\\!P}}\nolimits(K(X)\geq\eta\ \text{and}\ X\leq\mu)\end{array}\\!\\!\right\\}\ \leq\ \exp(-\eta),$ and thus $\mathop{\mathrm{I\\!P}}\nolimits(K(X)\geq\eta)\ \leq\ 2\exp(-\eta).$ ###### Proof of Lemma 7.1. By symmetry, it suffices to show that $\mathop{\mathrm{I\\!P}}\nolimits(K(X)\geq\eta\ \text{and}\ X\geq\mu)$ is not greater than $\exp(-\eta)$. Since $K:[\mu,\infty)\to[0,\infty]$ is convex and lower semi-continuous with $K(\mu)=0$ and $\lim_{x\to\infty}K(x)=\infty$, the point $x_{\eta}\ :=\ \max\bigl{\\{}x\geq\mu:K(x)\leq\eta\bigr{\\}}$ is well-defined. When $K(x_{\eta})=\eta$, convexity of $K$ and $K(\mu)=0$ imply that $K(x)<\eta$ for all $x\in[\mu,x_{\eta})$. Hence $\mathop{\mathrm{I\\!P}}\nolimits(K(X)\geq\eta\ \text{and}\ X\geq\mu)\ =\ \mathop{\mathrm{I\\!P}}\nolimits(X\geq x_{\eta})\ \leq\ \exp(-K(x_{\eta}))\ =\ \exp(-\eta).$ When $K(x_{\eta})<\eta$, we may conclude from monotonicity and lower semicontinuity of $K$ that $K(x)=\infty$ for all $x>x_{\eta}$. But this implies that $\mathop{\mathrm{I\\!P}}\nolimits(K(X)\geq\eta\ \text{and}\ X\geq\mu)\ =\ \mathop{\mathrm{I\\!P}}\nolimits(X>x_{\eta})\ =\ \sup_{x>x_{\eta}}\mathop{\mathrm{I\\!P}}\nolimits(X\geq x)\ =\ 0.$ ∎ ### 7.2 Exponential inequalities for beta distributions Let $s,t\in(0,1)$, and let $Y\sim\mathrm{Beta}(mt,m(1-t))$ for some $m>0$. Then $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits(Y\leq s)\ $ $\displaystyle\leq\ \inf_{\lambda\leq 0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda Y-\lambda s)\ \leq\ \exp(-mK(t,s))\quad\text{if}\ s\leq t,$ $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits(Y\geq s)\ $ $\displaystyle\leq\ \inf_{\lambda\geq 0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda Y-\lambda s)\ \leq\ \exp(-mK(t,s))\quad\text{if}\ s\geq t.$ ###### Proof. In case of $s\geq t$, Markov’s inequality yields that $\mathop{\mathrm{I\\!P}}\nolimits(Y\geq s)\ =\ \inf_{\lambda\geq 0}\,\mathop{\mathrm{I\\!P}}\nolimits(\lambda Y-\lambda s\geq 0)\ \leq\ \inf_{\lambda\geq 0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda Y-\lambda s)\ =\ \inf_{\lambda\geq 0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda mY-\lambda ms).$ The latter step is trivial but convenient for the next consideration: We may write $Y=G/(G+G^{\prime})$ with independent random variables $G\sim\mathrm{Gamma}(mt)$ and $G^{\prime}\sim\mathrm{Gamma}(m(1-t))$. Moreover, it is well-known that $Y$ and $G+G^{\prime}$ are stochastically independent with $\mathop{\mathrm{I\\!E}}\nolimits(G+G^{\prime})=m$. Consequently, by Jensen’s inequality and Fubini’s theorem, $\displaystyle\mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda mY-\lambda ms)\ $ $\displaystyle=\ \mathop{\mathrm{I\\!E}}\nolimits\exp\bigl{(}\lambda\mathop{\mathrm{I\\!E}}\nolimits\bigl{(}G-s(G+G^{\prime})\,\big{|}\,Y\bigr{)}\bigr{)}$ $\displaystyle=\ \mathop{\mathrm{I\\!E}}\nolimits\exp\bigl{(}\lambda\mathop{\mathrm{I\\!E}}\nolimits\bigl{(}(1-s)G-\lambda sG^{\prime}\,\big{|}\,Y\bigr{)}\bigr{)}$ $\displaystyle\leq\ \mathop{\mathrm{I\\!E}}\nolimits\mathop{\mathrm{I\\!E}}\nolimits\bigl{(}\exp(\lambda(1-s)G-\lambda sG^{\prime})\,\big{|}\,Y\bigr{)}$ $\displaystyle=\ \mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda(1-s)G-\lambda sG^{\prime})$ $\displaystyle=\ \mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda(1-s)G)\mathop{\mathrm{I\\!E}}\nolimits\exp(-\lambda sG^{\prime})$ $\displaystyle=\ (1-\lambda(1-s))^{-mt}(1+st)^{-m(1-t)}$ $\displaystyle=\ \exp\Bigl{(}-m\bigl{(}t\log(1-\lambda(1-s))+(1-t)\log(1+\lambda s)\bigr{)}\Bigr{)}$ for $0\leq\lambda<1/(1-s)$. (For $\lambda\geq 1/(1-s)$ the expectation of $\exp(\lambda(1-s)G)$ would be infinite.) Elementary calculations show that $t\log(1-\lambda(1-s))+(1-t)\log(1+\lambda s)$ is maximal for $\lambda=(s-t)/(s(1-s))\in[0,1/(1-s))$, and this yields the bound $\inf_{\lambda\geq 0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda Y-\lambda s)\ \leq\ \exp(-mK(t,s)).$ In case of $s\leq t$, the previous result may be applied to $1-Y\sim\mathrm{Beta}(m(1-t),mt)$: $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits(Y\leq s)\ =\ \mathop{\mathrm{I\\!P}}\nolimits(1-Y\geq 1-s$ $\displaystyle)\ \leq\ \inf_{\lambda\geq 0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda(1-Y)-\lambda(1-s)\bigr{)}$ $\displaystyle\begin{cases}\displaystyle=\ \inf_{\lambda\leq 0}\,\mathop{\mathrm{I\\!E}}\nolimits\exp(\lambda Y-\lambda s),\\\ \leq\ \exp(-mK(1-t,1-s))\ =\ \exp(-mK(t,s)).\end{cases}$ ∎ ### 7.3 Further details about Gaussian mixtures As in Section 4 we consider the standard Gaussian distribution function $\Phi$ and the alternative distribution functions $F_{n}\ :=\ (1-\varepsilon_{n})\Phi+\varepsilon_{n}\Phi(\cdot-\mu_{n}),$ where $\varepsilon_{n}\downarrow 0$ and $\mu_{n}\to\infty$. Optimal tests of $H_{0}:F\equiv\Phi$ versus $H_{1}:F\equiv F_{n}$ reject for large values of the log-likelihood ratio statistic $\sum_{i=1}^{n}\log\frac{dF_{n}}{d\Phi}(X_{i})\ =\ \sum_{i=1}^{n}\log(1+V_{n}(X_{i}))$ with $V_{n}(x)\ =\ \varepsilon_{n}\bigl{(}\exp(\mu_{n}x-\mu_{n}^{2}/2)-1\bigr{)}.$ If $(\mu_{n})_{n}$ is chosen such that $\sum_{i=1}^{n}\log(1+V_{n}(X_{i}))\ \to_{p}\ 0\quad\text{when}\ F\equiv\Phi,$ (22) then for any sequence of tests $\phi_{n}:\mathbb{R}^{n}\to[0,1]$, $\limsup_{n\to\infty}\bigl{|}\mathop{\mathrm{I\\!E}}\nolimits_{F_{n}}\phi_{n}(X_{1},\ldots,X_{n})-\mathop{\mathrm{I\\!E}}\nolimits_{\Phi}\phi_{n}(X_{1},\ldots,X_{n})\bigr{|}\ =\ 0;$ see LeCam and Yang (2000). ###### Lemma 7.2. Suppose that $\varepsilon_{n}=n^{-\beta+o(1)}$ for some $\beta\in[1/2,3/4)$ and $\pi_{n}=n^{1/2}\varepsilon_{n}\to 0$. Then (22) is satisfied if $\mu_{n}=\sqrt{2s\log(1/\pi_{n})}$ for some fixed $s\in(0,1)$. ###### Proof of Lemma 7.2. Note that for $v>-1$, $\log(1+v)\ =\ v-\frac{v^{2}}{2(1+\xi(v))}$ with $\xi(v)\geq\min\\{0,v\\}$. Consequently, since $V_{n}>-\varepsilon_{n}$, $\sum_{i=1}^{n}V_{n}(X_{i})-\frac{1}{2(1-\varepsilon_{n})}\sum_{i=1}^{n}V_{n}(X_{i})^{2}\ \leq\ \sum_{i=1}^{n}\log(1+V_{n}(X_{i}))\ \leq\ \sum_{i=1}^{n}V_{n}(X_{i}).$ But it follows from $\mathop{\mathrm{I\\!E}}\nolimits_{\Phi}(V_{n}(X_{1}))=0$ that $\displaystyle\mathop{\mathrm{I\\!E}}\nolimits_{\Phi}\biggl{(}\Bigl{(}\sum_{i=1}^{n}V_{n}(X_{i})\Bigr{)}^{2}\biggr{)}\ $ $\displaystyle=\ n\mathop{\mathrm{Var}}\nolimits_{\Phi}(V_{n}(X_{1}))$ $\displaystyle=\ n\varepsilon_{n}^{2}\bigl{(}\mathop{\mathrm{I\\!E}}\nolimits_{\Phi}\exp(2\mu_{n}X_{1}-\mu_{n}^{2})-1\bigr{)}$ $\displaystyle=\ \pi_{n}^{2}(\exp(\mu_{n}^{2})-1)$ $\displaystyle=\ \pi_{n}^{2(1-s)}-\pi_{n}^{2}$ $\displaystyle\to\ 0$ because $s<1$, and $\mathop{\mathrm{I\\!E}}\nolimits_{\Phi}\Bigl{(}\frac{1}{2(1-\varepsilon_{n})}\sum_{i=1}^{n}V_{n}(X_{i})^{2}\Bigr{)}\ =\ \frac{n\mathop{\mathrm{Var}}\nolimits_{\Phi}(V_{n}(X_{1}))}{2(1-\varepsilon_{n})}\ \to\ 0.$ ∎ ### 7.4 Bahadur and Savage (1956) revisited Let $(L_{n},U_{n})$ be a $(1-\alpha)$-confidence band for $F\in\mathcal{F}$ with a given class $\mathcal{F}$ of distribution functions. That means $L_{n}=L_{n}(\cdot,\boldsymbol{X}_{n})$ and $U_{n}=U_{n}(\cdot,\boldsymbol{X}_{n})$ are non-decreasing functions on the real line depending on the data vector $\boldsymbol{X}_{n}=(X_{i})_{i=1}^{n}$ such that $\mathop{\mathrm{I\\!P}}\nolimits_{F}\bigl{(}L_{n}\leq F\leq U_{n}\ \text{on}\ \mathbb{R}\bigr{)}\ \geq\ 1-\alpha\quad\text{for any}\ F\in\mathcal{F}.$ We assume that $\mathcal{F}$ is convex and satisfies $F(\cdot-\mu)\in\mathcal{F}$ for any $F\in\mathcal{F}$ and $\mu\in\mathbb{R}$. This is true if, for instance, $\mathcal{F}$ corresponds to all mixtures of Gaussian distributions with variance one. Then Theorem 2 of Bahadur and Savage (1956) may be modified as follows: ###### Theorem 7.3. Let $(L_{n},U_{n})$ be a $(1-\alpha)$-confidence band for $F\in\mathcal{F}$. For any $\varepsilon\in(0,1)$, $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits_{F}\Bigl{(}\inf_{x\in\mathbb{R}}U_{n}(x)<\varepsilon\Bigr{)}\ $ $\displaystyle\leq\ (1-\varepsilon)^{-n}\alpha,$ $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits_{F}\Bigl{(}\sup_{x\in\mathbb{R}}L_{n}(x)>1-\varepsilon\Bigr{)}\ $ $\displaystyle\leq\ (1-\varepsilon)^{-n}\alpha.$ Setting $\varepsilon=c/n$ for some fixed $c>0$ reveals that $\inf_{x\in\mathbb{R}}U_{n}(x)<c/n$ or $\sup_{x\in\mathbb{R}}L_{n}(x)\leq 1-c/n$ with probability at most $(1-c/n)^{-n}\alpha=e^{c}\alpha+o(1)$, respectively. ###### Proof of Theorem 7.3. By symmetry, it suffices to prove the claim about $U_{n}$. By monotonicity of $U_{n}$, $\mathop{\mathrm{I\\!P}}\nolimits_{F}\Bigl{(}\inf_{x\in\mathbb{R}}U_{n}(x)<\varepsilon\Bigr{)}\ =\ \sup_{x\in\mathbb{R},\delta\in(0,\varepsilon)}\mathop{\mathrm{I\\!P}}\nolimits_{F}(U_{n}(x)<\delta).$ Hence it suffices to show that $\mathop{\mathrm{I\\!P}}\nolimits_{F}(U_{n}(x)<\delta)\leq(1-\varepsilon)^{-n}\alpha$ for any single point $x\in\mathbb{R}$ and $\delta\in(0,\varepsilon)$. To this end consider $F_{\varepsilon,\mu}:=(1-\varepsilon)F+\varepsilon F(\cdot-\mu)$ for our given $\varepsilon$ and some $\mu\in\mathbb{R}$. Note that $\mathcal{L}_{F_{\varepsilon,\mu}}(\boldsymbol{X}_{n})$ describes the distribution of $\tilde{\boldsymbol{X}}_{n}\ :=\ \bigl{(}Y_{i}+\xi_{i}\mu\bigr{)}_{i=1}^{n}$ with $2n$ independent random variables $\xi_{1},\xi_{2},\ldots,\xi_{n}\sim\mathrm{Bin}(1,\varepsilon)$ and $Y_{1},Y_{2},\ldots,Y_{n}\sim F$. In particular, for any event $A_{n}\subset\mathbb{R}^{n}$, $\displaystyle\mathop{\mathrm{I\\!P}}\nolimits_{F_{\varepsilon,\mu}}(\boldsymbol{X}_{n}\in A_{n})\ $ $\displaystyle=\ \mathop{\mathrm{I\\!P}}\nolimits(\tilde{\boldsymbol{X}}_{n}\in A_{n})$ $\displaystyle\geq\ \mathop{\mathrm{I\\!P}}\nolimits\bigl{(}\tilde{\boldsymbol{X}}_{n}\in A_{n},\xi_{1}=\xi_{2}=\cdots=\xi_{n}=0\bigr{)}$ $\displaystyle=\ (1-\varepsilon)^{n}\mathop{\mathrm{I\\!P}}\nolimits_{F}(\boldsymbol{X}_{n}\in A_{n}).$ Consequently, since $F_{\varepsilon,\mu}\in\mathcal{F}$, too, we may conclude from $\mathop{\mathrm{I\\!P}}\nolimits_{F_{\varepsilon,\mu}}\bigl{(}L_{n}\leq F_{\varepsilon,\mu}\leq U_{n}\ \text{on}\ \mathbb{R}\bigr{)}\ \geq\ 1-\alpha$ that $\displaystyle\alpha\ $ $\displaystyle\geq\ \mathop{\mathrm{I\\!P}}\nolimits_{F_{\varepsilon,\mu}}\bigl{(}U_{n}(x)<F_{\varepsilon,\mu}(x)\bigr{)}$ $\displaystyle\geq\ (1-\varepsilon)^{n}\mathop{\mathrm{I\\!P}}\nolimits_{F}\bigl{(}U_{n}(x)<(1-\varepsilon)F(x)+\varepsilon F(x-\mu)\bigr{)}$ $\displaystyle\geq\ (1-\varepsilon)^{n}\mathop{\mathrm{I\\!P}}\nolimits_{F}\bigl{(}U_{n}(x)<\varepsilon F(x-\mu)\bigr{)}.$ But for sufficiently small (negative) $\mu$, the value $\varepsilon F(x-\mu)$ is greater than or equal to $\delta$. Then we may conclude that $\alpha\geq(1-\varepsilon)^{n}\mathop{\mathrm{I\\!P}}\nolimits_{F}(U_{n}(x)<\delta)$. ∎
arxiv-papers
2014-02-12T18:17:56
2024-09-04T02:49:58.159894
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/4.0/", "authors": "Lutz Duembgen and Jon A. Wellner", "submitter": "Lutz Duembgen", "url": "https://arxiv.org/abs/1402.2918" }
1402.2949
der Philosophisch-naturwissenschaftlichen Fakultät der Universität Bern vorgelegt von Aaron Karper Leiter der Arbeit: Professor Dr. Thomas Strahm Institut für Informatik und angewandte Mathematik CHAPTER: INTRODUCTION CHAPTER: COMPUTABILITY CHAPTER: COMPLEXITY [1] A.V. Aho, M.S. Lam, R. Sethi, and J.D. Ullman. Compilers: principles, techniques, and tools, volume 1009. Pearson/Addison Wesley, 2007. [2] R.G. Downey and M.R. Fellows. Parameterized complexity, volume 3. springer New York, 1999. [3] Gábor Etesi and István Németi. Non-turing computations via malament–hogarth space-times. International Journal of Theoretical Physics, 41:341–370, [4] Y. Futamura. Partial evaluation of computation process–an approach to a Higher-Order and Symbolic Computation, 12(4):381–391, 1999. [5] J.Y. Girard, P. Taylor, and Y. Lafont. Proofs and types, volume 7. Cambridge University Press Cambridge, 1989. [6] L.K. Grover. A fast quantum mechanical algorithm for database search. In Proceedings of the twenty-eighth annual ACM symposium on Theory of computing, pages 212–219. ACM, 1996. [7] N.D. Jones, C.K. Gomard, and P. Sestoft. Partial evaluation and automatic program generation. Peter Sestoft, 1993. [8] Neil D. Jones. Computability and complexity: from a programming perspective. MIT Press, Cambridge, MA, USA, 1997. [9] H.P. Nilsson. Porting gcc for dunces. Master Thesis, 5:43–54, 2000. [10] Armin Rigo. Representation-based just-in-time specialization and the psyco prototype for python. In Proceedings of the 2004 ACM SIGPLAN symposium on Partial evaluation and semantics-based program manipulation, PEPM '04, pages 15–26, New York, NY, USA, 2004. ACM. [11] S.J. Russell and P. Norvig. Artificial intelligence: a modern approach, volume 3. Prentice hall Englewood Cliffs, NJ, 2009. [12] M. Sipser. Introduction to the Theory of Computation, volume 27. Thomson Course Technology Boston, MA, 2006. [13] D. van Dalen. Algorithms and decision problems: A crash course in recursion theory. G. Gabbay and F. Guenthner (eds.), Handbook of Philosophical Logic, 1:409–478, 1983. [14] T.L. Veldhuizen. C++ templates are turing complete. Available at citeseer. ist. psu. edu/581150. html, 2003. Aaron Karper der Philosophisch-naturwissenschaftlichen Fakultät der Universität Bern vorgelegt von Aaron Karper Leiter der Arbeit: Professor Dr. Thomas Strahm Institut für Informatik und angewandte Mathematik CHAPTER: INTRODUCTION CHAPTER: COMPUTABILITY CHAPTER: COMPLEXITY [1] A.V. Aho, M.S. Lam, R. Sethi, and J.D. Ullman. Compilers: principles, techniques, and tools, volume 1009. Pearson/Addison Wesley, 2007. [2] R.G. Downey and M.R. Fellows. Parameterized complexity, volume 3. springer New York, 1999. [3] Gábor Etesi and István Németi. Non-turing computations via malament–hogarth space-times. International Journal of Theoretical Physics, 41:341–370, [4] Y. Futamura. Partial evaluation of computation process–an approach to a Higher-Order and Symbolic Computation, 12(4):381–391, 1999. [5] J.Y. Girard, P. Taylor, and Y. Lafont. Proofs and types, volume 7. Cambridge University Press Cambridge, 1989. [6] L.K. Grover. A fast quantum mechanical algorithm for database search. In Proceedings of the twenty-eighth annual ACM symposium on Theory of computing, pages 212–219. ACM, 1996. [7] N.D. Jones, C.K. Gomard, and P. Sestoft. Partial evaluation and automatic program generation. Peter Sestoft, 1993. [8] Neil D. Jones. Computability and complexity: from a programming perspective. MIT Press, Cambridge, MA, USA, 1997. [9] H.P. Nilsson. Porting gcc for dunces. Master Thesis, 5:43–54, 2000. [10] Armin Rigo. Representation-based just-in-time specialization and the psyco prototype for python. In Proceedings of the 2004 ACM SIGPLAN symposium on Partial evaluation and semantics-based program manipulation, PEPM '04, pages 15–26, New York, NY, USA, 2004. ACM. [11] S.J. Russell and P. Norvig. Artificial intelligence: a modern approach, volume 3. Prentice hall Englewood Cliffs, NJ, 2009. [12] M. Sipser. Introduction to the Theory of Computation, volume 27. Thomson Course Technology Boston, MA, 2006. [13] D. van Dalen. Algorithms and decision problems: A crash course in recursion theory. G. Gabbay and F. Guenthner (eds.), Handbook of Philosophical Logic, 1:409–478, 1983. [14] T.L. Veldhuizen. C++ templates are turing complete. Available at citeseer. ist. psu. edu/581150. html, 2003.
arxiv-papers
2014-02-10T21:35:37
2024-09-04T02:49:58.173515
{ "license": "Public Domain", "authors": "Aaron Karper", "submitter": "Aaron Karper", "url": "https://arxiv.org/abs/1402.2949" }
1402.2982
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2014-017 LHCb-PAPER-2013-068 23 May 2014 A study of $C\\!P$ violation in $B^{\pm}\rightarrow DK^{\pm}$ and $B^{\pm}\rightarrow D\pi^{\pm}$ decays with $D\rightarrow K^{0}_{\rm S}K^{\pm}\pi^{\mp}$ final states The LHCb collaboration†††Authors are listed on the following pages. A first study of $C\\!P$ violation in the decay modes $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{\pm}\pi^{\mp}]_{D}h^{\pm}$ and $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{\mp}\pi^{\pm}]_{D}h^{\pm}$, where $h$ labels a $K$ or $\pi$ meson and $D$ labels a $D^{0}$ or $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ meson, is performed. The analysis uses the LHCb data set collected in $pp$ collisions, corresponding to an integrated luminosity of 3$\mbox{\,fb}^{-1}$. The analysis is sensitive to the $C\\!P$-violating CKM phase $\gamma$ through seven observables: one charge asymmetry in each of the four modes and three ratios of the charge-integrated yields. The results are consistent with measurements of $\gamma$ using other decay modes. Published in Phys. Lett. B © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij41, B. Adeva37, M. Adinolfi46, A. Affolder52, Z. Ajaltouni5, J. Albrecht9, F. Alessio38, M. Alexander51, S. Ali41, G. Alkhazov30, P. Alvarez Cartelle37, A.A. Alves Jr25, S. Amato2, S. Amerio22, Y. Amhis7, L. Anderlini17,g, J. Anderson40, R. Andreassen57, M. Andreotti16,f, J.E. Andrews58, R.B. Appleby54, O. Aquines Gutierrez10, F. Archilli38, A. Artamonov35, M. Artuso59, E. Aslanides6, G. Auriemma25,n, M. Baalouch5, S. Bachmann11, J.J. Back48, A. Badalov36, V. Balagura31, W. Baldini16, R.J. Barlow54, C. Barschel39, S. Barsuk7, W. Barter47, V. Batozskaya28, Th. Bauer41, A. Bay39, J. Beddow51, F. Bedeschi23, I. Bediaga1, S. Belogurov31, K. Belous35, I. Belyaev31, E. Ben-Haim8, G. Bencivenni18, S. Benson50, J. Benton46, A. Berezhnoy32, R. Bernet40, M.-O. Bettler47, M. van Beuzekom41, A. Bien11, S. Bifani45, T. Bird54, A. Bizzeti17,i, P.M. Bjørnstad54, T. Blake48, F. Blanc39, J. Blouw10, S. Blusk59, V. Bocci25, A. Bondar34, N. Bondar30, W. Bonivento15,38, S. Borghi54, A. Borgia59, M. Borsato7, T.J.V. Bowcock52, E. Bowen40, C. Bozzi16, T. Brambach9, J. van den Brand42, J. Bressieux39, D. Brett54, M. Britsch10, T. Britton59, N.H. Brook46, H. Brown52, A. Bursche40, G. Busetto22,r, J. Buytaert38, S. Cadeddu15, R. Calabrese16,f, O. Callot7, M. Calvi20,k, M. Calvo Gomez36,p, A. Camboni36, P. Campana18,38, D. Campora Perez38, A. Carbone14,d, G. Carboni24,l, R. Cardinale19,j, A. Cardini15, H. Carranza-Mejia50, L. Carson50, K. Carvalho Akiba2, G. Casse52, L. Cassina20, L. Castillo Garcia38, M. Cattaneo38, Ch. Cauet9, R. Cenci58, M. Charles8, Ph. Charpentier38, S.-F. Cheung55, N. Chiapolini40, M. Chrzaszcz40,26, K. Ciba38, X. Cid Vidal38, G. Ciezarek53, P.E.L. Clarke50, M. Clemencic38, H.V. Cliff47, J. Closier38, C. Coca29, V. Coco38, J. Cogan6, E. Cogneras5, P. Collins38, A. Comerma-Montells36, A. Contu15,38, A. Cook46, M. Coombes46, S. Coquereau8, G. Corti38, I. Counts56, B. Couturier38, G.A. Cowan50, D.C. Craik48, M. Cruz Torres60, S. Cunliffe53, R. Currie50, C. D’Ambrosio38, J. Dalseno46, P. David8, P.N.Y. David41, A. Davis57, I. De Bonis4, K. De Bruyn41, S. De Capua54, M. De Cian11, J.M. De Miranda1, L. De Paula2, W. De Silva57, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, N. Déléage4, D. Derkach55, O. Deschamps5, F. Dettori42, A. Di Canto11, H. Dijkstra38, S. Donleavy52, F. Dordei11, M. Dorigo39, P. Dorosz26,o, A. Dosil Suárez37, D. Dossett48, A. Dovbnya43, F. Dupertuis39, P. Durante38, R. Dzhelyadin35, A. Dziurda26, A. Dzyuba30, S. Easo49, U. Egede53, V. Egorychev31, S. Eidelman34, S. Eisenhardt50, U. Eitschberger9, R. Ekelhof9, L. Eklund51,38, I. El Rifai5, Ch. Elsasser40, S. Esen11, A. Falabella16,f, C. Färber11, C. Farinelli41, S. Farry52, D. Ferguson50, V. Fernandez Albor37, F. Ferreira Rodrigues1, M. Ferro-Luzzi38, S. Filippov33, M. Fiore16,f, M. Fiorini16,f, C. Fitzpatrick38, M. Fontana10, F. Fontanelli19,j, R. Forty38, O. Francisco2, M. Frank38, C. Frei38, M. Frosini17,38,g, J. Fu21, E. Furfaro24,l, A. Gallas Torreira37, D. Galli14,d, M. Gandelman2, P. Gandini59, Y. Gao3, J. Garofoli59, J. Garra Tico47, L. Garrido36, C. Gaspar38, R. Gauld55, L. Gavardi9, E. Gersabeck11, M. Gersabeck54, T. Gershon48, Ph. Ghez4, A. Gianelle22, S. Giani’39, V. Gibson47, L. Giubega29, V.V. Gligorov38, C. Göbel60, D. Golubkov31, A. Golutvin53,31,38, A. Gomes1,a, H. Gordon38, M. Grabalosa Gándara5, R. Graciani Diaz36, L.A. Granado Cardoso38, E. Graugés36, G. Graziani17, A. Grecu29, E. Greening55, S. Gregson47, P. Griffith45, L. Grillo11, O. Grünberg61, B. Gui59, E. Gushchin33, Yu. Guz35,38, T. Gys38, C. Hadjivasiliou59, G. Haefeli39, C. Haen38, T.W. Hafkenscheid64, S.C. Haines47, S. Hall53, B. Hamilton58, T. Hampson46, S. Hansmann-Menzemer11, N. Harnew55, S.T. Harnew46, J. Harrison54, T. Hartmann61, J. He38, T. Head38, V. Heijne41, K. Hennessy52, P. Henrard5, L. Henry8, J.A. Hernando Morata37, E. van Herwijnen38, M. Heß61, A. Hicheur1, D. Hill55, M. Hoballah5, C. Hombach54, W. Hulsbergen41, P. Hunt55, N. Hussain55, D. Hutchcroft52, D. Hynds51, V. Iakovenko44, M. Idzik27, P. Ilten56, R. Jacobsson38, A. Jaeger11, E. Jans41, P. Jaton39, A. Jawahery58, F. Jing3, M. John55, D. Johnson55, C.R. Jones47, C. Joram38, B. Jost38, N. Jurik59, M. Kaballo9, S. Kandybei43, W. Kanso6, M. Karacson38, T.M. Karbach38, M. Kelsey59, I.R. Kenyon45, T. Ketel42, B. Khanji20, C. Khurewathanakul39, S. Klaver54, O. Kochebina7, I. Komarov39, R.F. Koopman42, P. Koppenburg41, M. Korolev32, A. Kozlinskiy41, L. Kravchuk33, K. Kreplin11, M. Kreps48, G. Krocker11, P. Krokovny34, F. Kruse9, M. Kucharczyk20,26,38,k, V. Kudryavtsev34, K. 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Zvyagin38. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Milano, Milano, Italy 22Sezione INFN di Padova, Padova, Italy 23Sezione INFN di Pisa, Pisa, Italy 24Sezione INFN di Roma Tor Vergata, Roma, Italy 25Sezione INFN di Roma La Sapienza, Roma, Italy 26Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 27AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 28National Center for Nuclear Research (NCBJ), Warsaw, Poland 29Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 30Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 31Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 32Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 33Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 34Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 35Institute for High Energy Physics (IHEP), Protvino, Russia 36Universitat de Barcelona, Barcelona, Spain 37Universidad de Santiago de Compostela, Santiago de Compostela, Spain 38European Organization for Nuclear Research (CERN), Geneva, Switzerland 39Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 40Physik-Institut, Universität Zürich, Zürich, Switzerland 41Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 42Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 43NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 44Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 45University of Birmingham, Birmingham, United Kingdom 46H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 47Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 48Department of Physics, University of Warwick, Coventry, United Kingdom 49STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 50School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 51School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 52Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 53Imperial College London, London, United Kingdom 54School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 55Department of Physics, University of Oxford, Oxford, United Kingdom 56Massachusetts Institute of Technology, Cambridge, MA, United States 57University of Cincinnati, Cincinnati, OH, United States 58University of Maryland, College Park, MD, United States 59Syracuse University, Syracuse, NY, United States 60Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 61Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 62National Research Centre Kurchatov Institute, Moscow, Russia, associated to 31 63Instituto de Fisica Corpuscular (IFIC), Universitat de Valencia-CSIC, Valencia, Spain, associated to 36 64KVI - University of Groningen, Groningen, The Netherlands, associated to 41 65Celal Bayar University, Manisa, Turkey, associated to 38 aUniversidade Federal do Triângulo Mineiro (UFTM), Uberaba-MG, Brazil bP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia cUniversità di Bari, Bari, Italy dUniversità di Bologna, Bologna, Italy eUniversità di Cagliari, Cagliari, Italy fUniversità di Ferrara, Ferrara, Italy gUniversità di Firenze, Firenze, Italy hUniversità di Urbino, Urbino, Italy iUniversità di Modena e Reggio Emilia, Modena, Italy jUniversità di Genova, Genova, Italy kUniversità di Milano Bicocca, Milano, Italy lUniversità di Roma Tor Vergata, Roma, Italy mUniversità di Roma La Sapienza, Roma, Italy nUniversità della Basilicata, Potenza, Italy oAGH - University of Science and Technology, Faculty of Computer Science, Electronics and Telecommunications, Kraków, Poland pLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain qHanoi University of Science, Hanoi, Viet Nam rUniversità di Padova, Padova, Italy sUniversità di Pisa, Pisa, Italy tScuola Normale Superiore, Pisa, Italy uUniversità degli Studi di Milano, Milano, Italy ## 1 Introduction A precise measurement of the unitarity triangle angle $\gamma=\arg{\left(-\frac{V_{ud}V_{ub}^{*}}{V_{cd}V_{cb}^{*}}\right)}$ is one of the most important tests of the Cabibbo Kobayashi Maskawa (CKM) mechanism. This parameter can be accessed through measurements of observables in decays of charged $B$ mesons to a neutral $D$ meson and a kaon or pion, where $D$ labels a $D^{0}$ or $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ meson decaying to a particular final state accessible to $D^{0}$ and $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$. Such decays are sensitive to $\gamma$ through the interference between $b\rightarrow c\bar{u}s$ and $b\rightarrow u\bar{c}s$ amplitudes. They offer an attractive means to measure $\gamma$ because the effect of physics beyond the Standard Model is expected to be negligible, thus allowing interesting comparisons with other measurements where such effects could be larger. The determination of $\gamma$ using $B^{\pm}\rightarrow DK^{\pm}$ decays was first proposed for $D$ decays to the $C\\!P$-eigenstates $K^{+}K^{-}$ and $\pi^{+}\pi^{-}$ (so-called “GLW” analysis) [1, 2]. Subsequently, the analysis of the $K^{\pm}\pi^{\mp}$ final state was proposed (named “ADS”) [3, 4], where the suppression between the colour favoured $B^{-}\rightarrow D^{0}K^{-}$ and suppressed $B^{-}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}$ decays is compensated by the CKM suppression of the $D^{0}\rightarrow K^{+}\pi^{-}$ decay relative to $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\rightarrow K^{+}\pi^{-}$, resulting in large interference. The LHCb collaboration has published the two- body ADS and GLW analyses [5], the Dalitz analysis of the decay $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}h^{\pm}h^{\mp}]_{D}K^{\pm},~{}(h=\pi,K)$ [6] and the ADS-like analysis of the decay mode $B^{\pm}\rightarrow[K^{\pm}\pi^{\mp}\pi^{\pm}\pi^{\mp}]_{D}K^{\pm}$ [7], where $[X]_{D}$ indicates a given final state $X$ produced by the decay of the $D$ meson. These measurements have recently been combined to yield the result $\gamma=(72.0^{+14.7}_{-15.6})^{\circ}$ [8], which is in agreement with the results obtained by the BaBar and Belle collaborations of $\gamma=(69^{+17}_{-16})^{\circ}$ [9] and $\gamma=(68^{+15}_{-14})^{\circ}$ [10], respectively. In analogy to studies in charged $B$ meson decays, sensitivity to $\gamma$ can also be gained from decays of neutral $B$ mesons, as has been demonstrated in the LHCb analysis of $B^{0}\rightarrow[K^{+}K^{-}]_{D}K^{*0}$ decays [11]. The inclusion of additional $B^{\pm}\rightarrow DK^{\pm}$ modes can provide further constraints on $\gamma$. In this Letter, an analysis of the $D\rightarrow K^{0}_{\rm\scriptscriptstyle S}K^{\pm}\pi^{\mp}$ final states is performed, the first ADS-like analysis to use singly Cabibbo-suppressed (SCS) decays, as proposed in [12]. The two decays, $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{\pm}\pi^{\mp}]_{D}h^{\pm}$ and $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{\mp}\pi^{\pm}]_{D}h^{\pm}$, are distinguished by the charge of the $K^{\pm}$ from the decay of the $D$ meson relative to the charge of the $B$ meson, so that the former is labelled “same sign” (SS) and the latter “opposite sign” (OS). In order to interpret $C\\!P$-violating effects using these three-body decays it is necessary to account for the variation of the $D$ decay strong phase over its Dalitz plot due to the presence of resonances between the particles in the final state. Instead of employing an amplitude model to describe this phase variation, direct measurements of the phase made by the CLEO collaboration are used, which are averaged over large regions of the Dalitz plot [13]. The same CLEO study indicates that this averaging can be employed without a large loss of sensitivity. The use of the CLEO results avoids the need to introduce a systematic uncertainty resulting from an amplitude model description. The analysis uses the full 2011 and 2012 LHCb $pp$ collision data sets, corresponding to integrated luminosities of 1 and 2$\mbox{\,fb}^{-1}$ and centre-of-mass energies of $\sqrt{s}=7\mathrm{\,Te\kern-1.00006ptV}$ and $8\mathrm{\,Te\kern-1.00006ptV}$, respectively. The results are measurements of $C\\!P$-violating observables that can be interpreted in terms of $\gamma$ and other hadronic parameters of the $B^{\pm}$ meson decay. ## 2 Formalism The SS decay $B^{+}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{+}\pi^{-}]_{D}K^{+}$ can proceed via a $D^{0}$ or $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ meson, so that the decay amplitude is the sum of two amplitudes that interfere, $\displaystyle A(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K^{0}_{\rm\scriptscriptstyle S}\pi})=A_{\kern 1.39998pt\overline{\kern-1.39998ptD}{}^{0}}(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K^{0}_{\rm\scriptscriptstyle S}\pi})+r_{B}e^{i(\delta_{B}+\gamma)}A_{D^{0}}(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K^{0}_{\rm\scriptscriptstyle S}\pi}),$ (1) where $A_{\\{D^{0},\kern 1.39998pt\overline{\kern-1.39998ptD}{}^{0}\\}}(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K^{0}_{\rm\scriptscriptstyle S}\pi})$ are the $D^{0}$ and $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ decay amplitudes to a specific point in the $K^{0}_{\rm\scriptscriptstyle S}K^{+}\pi^{-}$ Dalitz plot. The amplitude ratio $r_{B}$ is $\frac{|A(B^{+}\rightarrow D^{0}K^{+})|}{|A(B^{+}\rightarrow\kern 1.39998pt\overline{\kern-1.39998ptD}{}^{0}K^{+})|}=0.089\pm 0.009$ [8] and $\delta_{B}$ is the strong phase difference between the $B^{+}\rightarrow D^{0}K^{+}$ and $B^{+}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}$ decays. The calculation of the decay rate in a region of the Dalitz plot requires the evaluation of the integral of the interference term between the two $D$ decay amplitudes over that region. Measurements have been made by the CLEO collaboration [13], where quantum-correlated $D$ decays are used to determine the integral of the interference term directly in the form of a “coherence factor”, $\kappa_{K^{0}_{\rm\scriptscriptstyle S}K\pi}$, and an average strong phase difference, $\delta_{K^{0}_{\rm\scriptscriptstyle S}K\pi}$, as first proposed in Ref. [14]. The coherence factor can take a value between 0 and 1 and is defined through the expression $\kappa_{K^{0}_{\rm\scriptscriptstyle S}K\pi}e^{-i\delta_{K^{0}_{\rm\scriptscriptstyle S}K\pi}}\equiv\frac{\int A^{*}_{K^{0}_{\rm\scriptscriptstyle S}K^{-}\pi^{+}}(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K\pi})A_{K^{0}_{\rm\scriptscriptstyle S}K^{+}\pi^{-}}(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K\pi})dm^{2}_{K^{0}_{\rm\scriptscriptstyle S}K}dm^{2}_{K\pi}}{A^{\textrm{int.}}_{K^{0}_{\rm\scriptscriptstyle S}K^{-}\pi^{+}}A^{\textrm{int.}}_{K^{0}_{\rm\scriptscriptstyle S}K^{+}\pi^{-}}},$ (2) where $A^{\textrm{int.}}_{K^{0}_{\rm\scriptscriptstyle S}K^{\pm}\pi^{\mp}}=\int|A_{K^{0}_{\rm\scriptscriptstyle S}K^{\pm}\pi^{\mp}}(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K\pi})|^{2}dm^{2}_{K^{0}_{\rm\scriptscriptstyle S}K}dm^{2}_{K\pi}$. This avoids the significant modelling uncertainty incurred by the determination of the strong phase difference between the $D^{0}$ and $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ amplitudes at each point in the Dalitz region from an amplitude model. The decay rates, $\Gamma$, to the four final states can therefore be expressed as $\displaystyle\Gamma_{\textrm{SS, }DK}^{\pm}$ $\displaystyle=z[\quad$ $\displaystyle\hskip 2.84544pt1$ $\displaystyle+\hskip 7.11317ptr_{B}^{2}r_{D}^{2}$ $\displaystyle+2r_{B}r_{D}\kappa_{K^{0}_{\rm\scriptscriptstyle S}K\pi}\cos(\delta_{B}\pm\gamma-\delta_{K^{0}_{\rm\scriptscriptstyle S}K\pi})\quad]$ $\displaystyle\Gamma_{\textrm{OS, }DK}^{\pm}$ $\displaystyle=z[$ $\displaystyle r_{B}^{2}$ $\displaystyle+\hskip 14.22636ptr_{D}^{2}$ $\displaystyle+2r_{B}r_{D}\kappa_{K^{0}_{\rm\scriptscriptstyle S}K\pi}\cos(\delta_{B}\pm\gamma+\delta_{K^{0}_{\rm\scriptscriptstyle S}K\pi})\quad]$ (3) where $r_{D}$ is the amplitude ratio for $D^{0}\rightarrow K^{0}_{\rm\scriptscriptstyle S}K^{+}\pi^{-}$ with respect to $D^{0}\rightarrow K^{0}_{\rm\scriptscriptstyle S}K^{-}\pi^{+}$ and $z$ is the normalisation factor. Analogous equations can be written for the $B^{\pm}\rightarrow D\pi^{\pm}$ system, with $r_{B}^{\pi}$ and $\delta_{B}^{\pi}$ replacing $r_{B}$ and $\delta_{B}$, respectively. Less interference is expected in the $B^{\pm}\rightarrow D\pi^{\pm}$ system where the value of $r_{B}^{\pi}$ is much lower, approximately $0.015$ [8]. These expressions receive small corrections from mixing in the charm system which, though accounted for in Sect. 7, are not explicitly written here. At the current level of precision these corrections have a negligible effect on the final results. Observables constructed using the decay rates in Eq. (3) have a sensitivity to $\gamma$ that depends upon the value of the coherence factor, with a higher coherence corresponding to greater sensitivity. The CLEO collaboration measured the coherence factor and average strong phase difference in two regions of the Dalitz plot: firstly across the whole Dalitz plot, and secondly within a region $\pm 100{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ around the $K^{*}(892)^{\pm}$ resonance, which decays to $K^{0}_{\rm\scriptscriptstyle S}\pi^{\pm}$, where, though the sample size is diminished, the coherence is higher. The measured values are $\kappa_{K^{0}_{\rm\scriptscriptstyle S}K\pi}=0.73\pm 0.08$ and $\delta_{K^{0}_{\rm\scriptscriptstyle S}K\pi}=8.3\pm 15.2^{\circ}$ for the whole Dalitz plot, and $\kappa_{K^{0}_{\rm\scriptscriptstyle S}K\pi}=1.00\pm 0.16$ and $\delta_{K^{0}_{\rm\scriptscriptstyle S}K\pi}=26.5\pm 15.8^{\circ}$ in the restricted region. The branching fraction ratio of $D^{0}\rightarrow K^{0}_{\rm\scriptscriptstyle S}K^{+}\pi^{-}$ to $D^{0}\rightarrow K^{0}_{\rm\scriptscriptstyle S}K^{-}\pi^{+}$ decays was found to be $0.592\pm 0.044$ in the whole Dalitz plot and $0.356\pm 0.034$ in the restricted region [13]. Eight yields are measured in this analysis, from which seven observables are constructed. The charge asymmetry is measured in each of the four decay modes, defined as $\mathcal{A}_{\textrm{SS, }DK}\equiv\frac{N^{DK^{-}}_{\textrm{SS}}-N^{DK^{+}}_{\textrm{SS}}}{N^{DK^{-}}_{\textrm{SS}}+N^{DK^{+}}_{\textrm{SS}}}$ for the $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{\pm}\pi^{\mp}]_{D}K^{\pm}$ mode and analogously for the other modes. The ratios of $B^{\pm}\rightarrow DK^{\pm}$ and $B^{\pm}\rightarrow D\pi^{\pm}$ yields are determined for the SS and OS decays, $\mathcal{R}_{DK/D\pi\textrm{, SS}}$ and $\mathcal{R}_{DK/D\pi\textrm{, OS}}$ respectively, and the ratio of SS to OS $B^{\pm}\rightarrow D\pi^{\pm}$ yields, $\mathcal{R}_{\textrm{SS/OS}}$, is measured. The measurements are performed both for the whole $D$ Dalitz plot and in the restricted region around the $K^{*}(892)^{\pm}$ resonance. ## 3 The LHCb detector and data set The LHCb detector [15] is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. The detector includes a high-precision tracking system consisting of a silicon-strip vertex detector surrounding the $pp$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes placed downstream. The combined tracking system provides a momentum measurement with relative uncertainty that varies from 0.4 % at 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6 % at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and impact parameter (IP) resolution of 20${\,\upmu\rm m}$ for tracks with large transverse momentum. Different types of charged hadrons are distinguished by particle identification (PID) information from two ring-imaging Cherenkov (RICH) detectors [16]. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and preshower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers. The trigger consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage, which applies a full event reconstruction. The software trigger searches for a track with large $p_{\rm T}$ and large IP with respect to any $pp$ interaction point, also called a primary vertex (PV). This track is then required to be part of a two-, three- or four-track secondary vertex with a high $p_{\rm T}$ sum, significantly displaced from any PV. A multivariate algorithm [17] is used for the identification of secondary vertices consistent with the decay of a $b$ hadron. Samples of around two million $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{\mp}\pi^{\pm}]_{D}\pi^{\pm}$ and two million $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{\mp}\pi^{\pm}]_{D}K^{\pm}$ decays are simulated to be used in the analysis, along with similarly-sized samples of $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}\pi^{+}\pi^{-}]_{D}\pi^{\pm}$, $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{+}K^{-}]_{D}\pi^{\pm}$ and $B^{\pm}\rightarrow[K^{\pm}\pi^{\mp}\pi^{+}\pi^{-}]_{D}\pi^{\pm}$ decays that are used to study potential backgrounds. In the simulation, $pp$ collisions are generated using Pythia [18, *Sjostrand:2007gs] with a specific LHCb configuration [20]. Decays of hadronic particles are described by EvtGen [21], in which final state radiation is generated using Photos [22]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [23, *Agostinelli:2002hh] as described in Ref. [25]. ## 4 Candidate selection Candidate $B\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{\pm}\pi^{\mp}]_{D}K$ and $B\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{\pm}\pi^{\mp}]_{D}\pi$ decays are reconstructed in events selected by the trigger and then the candidate momenta are refit, constraining the masses of the neutral $D$ and $K^{0}_{\rm\scriptscriptstyle S}$ mesons to their known values [26] and the $B^{\pm}$ meson to originate from the primary vertex [27]. Candidates where the $K^{0}_{\rm\scriptscriptstyle S}$ decay is reconstructed using “long” pion tracks, which leave hits in the VELO and downstream tracking stations, are analysed separately from those reconstructed using “downstream” pion tracks, which only leave hits in tracking stations beyond the VELO. The signal candidates in the former category are reconstructed with a better invariant mass resolution. The reconstructed masses of the $D$ and $K^{0}_{\rm\scriptscriptstyle S}$ mesons are required to be within 25${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ and 15${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, respectively, of their known values. Candidate $B^{\pm}\rightarrow DK^{\pm}$ decays are separated from $B^{\pm}\rightarrow D\pi^{\pm}$ decays by using PID information from the RICH detectors. A boosted decision tree (BDT) [28, 29] that has been developed for the analysis of the topologically similar decay mode $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}h^{+}h^{-}]_{D}h^{\prime\pm}$ is applied to the reconstructed candidates. The BDT was trained using simulated signal decays, generated uniformly over the $D^{0}$ Dalitz plot, and background candidates taken from the $B^{\pm}$ invariant mass region in data between 5700 and 7000${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. It exploits the displacement of tracks from the decays of long-lived particles with respect to the PV through the use of $\chi^{2}_{\textrm{IP}}$ variables, where $\chi^{2}_{\textrm{IP}}$ is defined as the difference in $\chi^{2}$ of a given PV fit with and without the considered track. The BDT also employs the $B^{\pm}$ and $D$ candidate momenta, an isolation variable sensitive to the separation of the tracks used to construct the $B^{\pm}$ candidate from other tracks in the event, and the $\chi^{2}$ per degree of freedom of the decay refit. In addition to the requirement placed on the BDT response variable, each composite candidate is required to have a vector displacement of production and decay vertices that aligns closely to its reconstructed momenta. The cosine of the angle between the displacement and momentum vectors is required to be less than 0.142$\rm\,rad$ for the $K^{0}_{\rm\scriptscriptstyle S}$ and $D^{0}$ candidates, and less than 0.0141$\rm\,rad$ (0.0100$\rm\,rad$) for long (downstream) $B^{\pm}$ candidates. Additional requirements are used to suppress backgrounds from specific processes. Contamination from $B$ decays that do not contain an intermediate $D$ meson is minimised by placing a minimum threshold of 0.2${\rm\,ps}$ on the decay time of the $D$ candidate. A potential background could arise from processes where a pion is misidentified as a kaon or vice versa. One example is the relatively abundant mode $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}\pi^{+}\pi^{-}]_{D}h^{\pm}$, which has a branching fraction around ten times larger than the signal. These are suppressed by placing requirements on both the $D$ daughter pion and kaon, making use of PID information. For $K^{0}_{\rm\scriptscriptstyle S}$ candidates formed from long tracks, the flight distance $\chi^{2}$ of the candidate is used to suppress background from $B^{\pm}\rightarrow[K^{\pm}\pi^{\mp}\pi^{+}\pi^{-}]_{D}h^{\pm}$ decays. Where multiple candidates are found belonging to the same event, the candidate with the lowest value of the refit $\chi^{2}$ per degree of freedom is retained and any others are discarded, leading to a reduction in the sample size of approximately 0.3 %. The $B^{\pm}$ invariant mass spectra are shown in Fig. 1 for candidates selected in the whole $D$ Dalitz plot, overlaid with a parametric fit described in Sect. 5. The $D$ Dalitz plots are shown in Fig. 2 for the $B^{\pm}\rightarrow DK^{\pm}$ and $B^{\pm}\rightarrow D\pi^{\pm}$ candidates that fall within a nominal $B^{\pm}$ signal region in $B^{\pm}$ invariant mass (5247–5317${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$). The dominant $K^{*}(892)^{\pm}$ resonance is clearly visible within a horizontal band, and the window around this resonance used in the analysis is indicated. SS candidates OS candidates Figure 1: Distributions of $B^{\pm}$ invariant mass of the SS and OS samples for the (a, c, e, g) $B^{\pm}\rightarrow DK^{\pm}$ and (b, d, f, h) $B^{\pm}\rightarrow D\pi^{\pm}$ candidates in the full data sample. The fits are shown for (a, b, e, f) $B^{+}$ and (c, d, g, h) $B^{-}$ candidates. Fit PDFs are superimposed. Figure 2: Dalitz plot distribution of candidates selected in (a) the $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K\pi]_{D}K^{\pm}$ and (b) the $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K\pi]_{D}\pi^{\pm}$ decay modes, where the data in the SS and OS modes, and the two $K^{0}_{\rm\scriptscriptstyle S}$ categories, are combined. Candidates included are required to have a refitted $B^{\pm}$ mass in a nominal signal window between 5247${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ and 5317${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The kinematic boundary is added in blue, and the restricted region around the $K^{*}(892)^{\pm}$ resonance is indicated by horizontal red lines. ## 5 Invariant mass fit In order to determine the signal yields in each decay mode, simultaneous fits are performed to the $B^{\pm}$ invariant mass spectra in the range 5110${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ to 5800${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ in the different modes, both for candidates in the whole $D$ Dalitz plot, and for only those inside the restricted region around the $K^{*}(892)^{\pm}$ resonance. The data samples are split according to the year in which the data were taken, the decay mode, the $K^{0}_{\rm\scriptscriptstyle S}$ type and the charge of the $B$ candidate. The fit is parameterised in terms of the observables described in Sect. 2, rather than varying each signal yield in each category independently. The probability density function (PDF) used to model the signal component is a modified Gaussian function with asymmetric tails, where the unnormalised form is given by $f(m;m_{0},\alpha_{L},\alpha_{R},\sigma)\equiv\left\\{{\exp[-(m-m_{0})^{2}/(2\sigma^{2}+\alpha_{L}(m-m_{0})^{2})]\textrm{ for }m<m_{0},\atop\exp[-(m-m_{0})^{2}/(2\sigma^{2}+\alpha_{R}(m-m_{0})^{2})]\textrm{ for }m>m_{0},}\right.$ (4) where $m$ is the reconstructed mass, $m_{0}$ is the mean $B$ mass and $\sigma$ determines the width of the function. The $\alpha_{L,R}$ parameters govern the shape of the tail. The mean $B$ mass is shared among all categories but is allowed to differ according to the year in which the data were collected. The $\alpha_{L}$ parameters are fixed to the values determined in the earlier analysis of $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}\pi^{+}\pi^{-}]_{D}h^{\pm}$ [6]. The $\alpha_{R}$ parameters are common to the $B^{\pm}\rightarrow D\pi^{\pm}$ and $B^{\pm}\rightarrow DK^{\pm}$, SS and OS categories, and are allowed to vary in the fit. Only the width parameters $\sigma(B^{\pm}\rightarrow DK^{\pm})$ are allowed to vary in the fit. The ratios $\sigma(B^{\pm}\rightarrow D\pi^{\pm})/\sigma(B^{\pm}\rightarrow DK^{\pm})$ are fixed according to studies of the similar mode $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}\pi^{+}\pi^{-}]_{D}h^{\pm}$. The fitted values for $\sigma(B^{\pm}\rightarrow DK^{\pm})$ vary by less than 10% around 14${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The total yield of $B^{\pm}\rightarrow D\pi^{\pm}$ decays is allowed to vary between the different $K^{0}_{\rm\scriptscriptstyle S}$ type and year categories. The yields in the various $D$ decay modes and different charges, and all the $B^{\pm}\rightarrow DK^{\pm}$ yields, are determined using the observables described in Sect. 2, rather than being fitted directly. In addition to the signal PDF, two background PDFs are required. The first background PDF models candidates formed from random combinations of tracks and is represented by a linear function. In the fit within the restricted Dalitz region, where the sample size is significantly smaller, the slope of the linear function fitting the $B^{\pm}\rightarrow D\pi^{\pm}$ data is fixed to the value determined in the fit to the whole Dalitz plot. The second background PDF accounts for contamination from partially reconstructed processes. Given that the contamination is dominated by those processes that involve a real $D^{0}\rightarrow K^{0}_{\rm\scriptscriptstyle S}K^{\pm}\pi^{\mp}$ decay, the PDF is fixed to the shape determined from the more abundant mode $B^{\pm}\rightarrow[K^{\pm}\pi^{\mp}]_{D}h^{\pm}$. The yields of both these background components are free to vary in each data category. A further significant background is present in the $B^{\pm}\rightarrow DK^{\pm}$ samples due to $\pi\rightarrow K$ misidentification of the much more abundant $B^{\pm}\rightarrow D\pi^{\pm}$ mode. This background is modelled in the $B^{\pm}\rightarrow DK^{\pm}$ spectrum using a Crystal Ball function [30], where the parameters of the function are common to all data categories in the fit and are allowed to vary. The yield of the background in the $B^{\pm}\rightarrow DK^{\pm}$ samples is fixed with respect to the fitted $B^{\pm}\rightarrow D\pi^{\pm}$ signal yield using knowledge of the RICH particle identification efficiencies that is obtained from data using samples of $D^{*\pm}\rightarrow[K\pi]_{D}\pi^{\pm}$ decays. The efficiency for kaons to be selected is found to be around 84 % and the misidentification rate for pions is around 4 %. Production and detection asymmetries are accounted for, following the same procedure as in Refs. [5, 7]. Values for the $B^{\pm}$ production and $K$ detection asymmetries are assigned such that the combination of production and detection asymmetries corresponds to the raw asymmetry observed in $B^{\pm}\rightarrow J/\psi K^{\pm}$ decays [31]. The detection asymmetry assigned is $-0.5\pm 0.7\,\%$ for each unit of strangeness in the final state to account for the differing interactions of $K^{+}$ and $K^{-}$ mesons with the detector material. An analogous asymmetry is present for pions, though it is expected to be much smaller, and the detection asymmetry assigned is $0.0\pm 0.7\,\%$. Any potential asymmetry arising from a difference between the responses of the left and right sides of the detector is minimised by combining approximately equal data sets taken with opposite magnet polarity. A further correction is included to account for non-uniformities in the acceptance over the Dalitz plot. This efficiency correction primarily affects the $\mathcal{R}_{\textrm{SS/OS}}$ observable, given the difference in the Dalitz distributions for the two $D$ meson decay modes. A correction factor, $\zeta$, is found by combining the LHCb acceptance, extracted from the simulated signal sample, and amplitude models, $A_{\textrm{SS, OS}}(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K^{0}_{\rm\scriptscriptstyle S}\pi})$, for the Dalitz distributions of the SS or OS decays, $\zeta\equiv\frac{\int_{\mathcal{D}}\textrm{d}m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K}\textrm{d}m^{2}_{K^{0}_{\rm\scriptscriptstyle S}\pi}[\epsilon(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K^{0}_{\rm\scriptscriptstyle S}\pi})\times|A_{\textrm{OS}}(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K^{0}_{\rm\scriptscriptstyle S}\pi})|^{2}]}{\int_{\mathcal{D}}\textrm{d}m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K}\textrm{d}m^{2}_{K^{0}_{\rm\scriptscriptstyle S}\pi}[\epsilon(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K^{0}_{\rm\scriptscriptstyle S}\pi})\times|A_{\textrm{SS}}(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K^{0}_{\rm\scriptscriptstyle S}\pi})|^{2}]},$ (5) where $\epsilon(m^{2}_{K^{0}_{\rm\scriptscriptstyle S}K},m^{2}_{K^{0}_{\rm\scriptscriptstyle S}\pi})$ is the efficiency at a point in the Dalitz plot. The typical deviation of $\zeta$ from unity is found to be around 5 %. The acceptance is illustrated in Fig. 3, where bins of variable size are used to ensure that statistical fluctuations due to the finite size of the simulated sample are negligible. The Dalitz distributions are determined using the fact that little interference is expected in $B^{\pm}\rightarrow D\pi^{\pm}$ decays and, therefore, the flavour of the $D$ meson is effectively tagged by the charge of the pion. In this case, the Dalitz distributions are given by considering the relevant $D^{0}$ decay ($D^{0}\rightarrow K^{0}_{\rm\scriptscriptstyle S}K^{-}\pi^{+}$ for SS and $D^{0}\rightarrow K^{0}_{\rm\scriptscriptstyle S}K^{+}\pi^{-}$ for OS). These $D^{0}$ decay Dalitz distributions are known and amplitude models from CLEO are available [13] from which the Dalitz distributions can be extracted. Figure 3: Dalitz acceptance determined using simulated events and normalised relative to the maximum efficiency. Due to the restricted sample size under study, small biases exist in the determination of the observables. The biases are determined by generating and fitting a large number of simulated samples using input values obtained from the fit to data, and are typically found to be around 2 %. The fit results are corrected accordingly. The fit projections, with long and downstream $K^{0}_{\rm\scriptscriptstyle S}$-type categories merged and 2011 and 2012 data combined, are given for the fit to the whole Dalitz plot in Fig. 1. The signal purity in a nominal mass range from $5247{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ to 5317${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ is around 85 % for the $B^{\pm}\rightarrow DK^{\pm}$ samples and 96 % for the $B^{\pm}\rightarrow D\pi^{\pm}$ samples. The signal yields derived from the fits to both the whole and restricted region of the Dalitz plot are given in Table 1. The fitted values of the observables are given in Table 2, including their systematic uncertainties as discussed in Sect. 6. The only significant difference between the observables fitted in the two regions is for the value of $\mathcal{R}_{\textrm{SS/OS}}$. This ratio is expected to differ significantly, given that the fraction of $D^{0}\rightarrow K^{0}_{\rm\scriptscriptstyle S}K^{-}\pi^{+}$ decays that are expected to lie inside the restricted portion of the Dalitz plot is around 75 %, whereas for $D^{0}\rightarrow K^{0}_{\rm\scriptscriptstyle S}K^{+}\pi^{-}$ the fraction is around 44 % [13]. This accounts for the higher value of $\mathcal{R}_{\textrm{SS/OS}}$ in the restricted region. The ratios between the $B^{\pm}\rightarrow DK^{\pm}$ and $B^{\pm}\rightarrow D\pi^{\pm}$ yields are consistent with that measured in the LHCb analysis of $B^{\pm}\rightarrow[K\pi]_{D}h^{\pm}$, $0.0774\pm 0.0012\pm 0.0018$ [5]. The $C\\!P$ asymmetries are consistent with zero in the $B^{\pm}\rightarrow D\pi^{\pm}$ system, where the effect of interference is expected to be small. The asymmetries in the $B^{\pm}\rightarrow DK^{\pm}$ system, $\mathcal{A}_{\textrm{SS, }DK}$ and $\mathcal{A}_{\textrm{OS, }DK}$, which have the highest sensitivity to $\gamma$ are all compatible with zero at the $2\sigma$ level. The correlations between $\mathcal{R}_{\textrm{SS/OS}}$ ratio and the ratios $\mathcal{R}_{DK/D\pi\textrm{, SS}}$ and $\mathcal{R}_{DK/D\pi\textrm{, OS}}$ are $-16\,\%$ ($-13\,\%$) and $+16\,\%$ ($+16\,\%$), respectively, for the fit to the whole Dalitz plot ($K^{*}(892)^{\pm}$ region). The correlation between the $\mathcal{R}_{DK/D\pi\textrm{, SS}}$ and $\mathcal{R}_{DK/D\pi\textrm{, OS}}$ ratios is $+11\,\%$ ($+15\,\%$). Correlations between the asymmetry observables are all less than 1 % and are neglected. Table 1: Signal yields and their statistical uncertainties derived from the fit to the whole Dalitz plot region, and in the restricted region of phase space around the $K^{*}(892)^{\pm}$ resonance. | Whole Dalitz plot | $K^{*}(892)^{\pm}$ region ---|---|--- Mode | $DK^{\pm}$ | $D\pi^{\pm}$ | $DK^{\pm}$ | $D\pi^{\pm}$ SS | 145 $\pm$ | 15 | 1841 $\pm$ | 47 | 97 $\pm$ | 12 | 1365 $\pm$ | 38 OS | 71 $\pm$ | 10 | 1267 $\pm$ | 37 | 26 $\pm$ | 6 | 553 $\pm$ | 24 Table 2: Results for the observables measured in the whole Dalitz plot region, and in the restricted region of phase space around the $K^{*}(892)^{\pm}$ resonance. The first uncertainty is statistical and the second is systematic. The corrections for production and detection asymmetries are applied, as is the efficiency correction defined in Eq. (5). Observable | Whole Dalitz plot | $K^{*}(892)^{\pm}$ region ---|---|--- $\mathcal{R}_{\textrm{SS/OS}}$ | 1.528 $\pm$ | 0.058 $\pm$ | 0.025 | 2.57 $\pm$ | 0.13 $\pm$ | 0.06 $\mathcal{R}_{DK/D\pi\textrm{, SS}}$ | 0.092 $\pm$ | 0.009 $\pm$ | 0.004 | 0.084 $\pm$ | 0.011 $\pm$ | 0.003 $\mathcal{R}_{DK/D\pi\textrm{, OS}}$ | 0.066 $\pm$ | 0.009 $\pm$ | 0.002 | 0.056 $\pm$ | 0.013 $\pm$ | 0.002 $\mathcal{A}_{\textrm{SS, }DK}$ | 0.040 $\pm$ | 0.091 $\pm$ | 0.018 | 0.026 $\pm$ | 0.109 $\pm$ | 0.029 $\mathcal{A}_{\textrm{OS, }DK}$ | 0.233 $\pm$ | 0.129 $\pm$ | 0.024 | 0.336 $\pm$ | 0.208 $\pm$ | 0.026 $\mathcal{A}_{\textrm{SS, }D\pi}$ | $-0.025$ $\pm$ | 0.024 $\pm$ | 0.010 | $-0.012$ $\pm$ | 0.028 $\pm$ | 0.010 $\mathcal{A}_{\textrm{OS, }D\pi}$ | $-0.052$ $\pm$ | 0.029 $\pm$ | 0.017 | $-0.054$ $\pm$ | 0.043 $\pm$ | 0.017 ## 6 Systematic uncertainties The largest single source of systematic uncertainty is the knowledge of the efficiency correction factor that multiplies the $\mathcal{R}_{\textrm{SS/OS}}$ observable. This uncertainty has three sources: the uncertainties on the CLEO amplitude models, the granularity of the Dalitz divisions in which the acceptance is determined, and the limited size of the simulated sample available to determine the LHCb acceptance. Of these, it is the modelling uncertainty that is dominant. In addition, an uncertainty is assigned to account for the fact that interference is neglected in the computation of the efficiency correction factor, which is shared between the $D\pi^{\pm}$ and $DK^{\pm}$ systems. Uncertainties on the parameters that are fixed in the PDF are propagated to the observables by repeating the fit to data whilst varying each fixed parameter according to its uncertainty. An additional systematic uncertainty is calculated for the fit to the restricted $K^{*}(892)^{\pm}$ region, where the $D\pi^{\pm}$ combinatorial background slopes are fixed to the values determined in the fit to the whole Dalitz plot. Uncertainties are assigned to account for the errors on the $B^{\pm}$ production asymmetry and the $K^{\pm}$ and $\pi^{\pm}$ detection asymmetries. The effect of the detection asymmetry depends on the pion and kaon content of the final state, and the resulting systematic uncertainty is largest for the $\mathcal{A}_{\textrm{SS, }DK}$ and $\mathcal{A}_{\textrm{OS, }D\pi}$ observables. The absolute uncertainties on the particle identification efficiencies are small, typically around 0.3 % for kaon efficiencies and 0.03 % for pion efficiencies. Of the four main sources of systematic error, these result in the smallest uncertainties on the experimental observables. In Table 3, the sources of systematic uncertainty are given for each observable in the fit to the whole Dalitz plot. Similarly those for the fit in the restricted region are given in Table 4. Table 3: Absolute values of systematic uncertainties, in units of $10^{-2}$, for the fit to the whole Dalitz plot. Observable | Eff. correction | Fit PDFs | Prod. and det. asymms. | PID | Total ---|---|---|---|---|--- $\mathcal{R}_{\textrm{SS/OS}}$ | 2.40 | 0.50 | $-$ | 0.01 | 2.45 $\mathcal{R}_{DK/D\pi\textrm{, SS}}$ | 0.01 | 0.38 | $-$ | 0.02 | 0.38 $\mathcal{R}_{DK/D\pi\textrm{, OS}}$ | 0.01 | 0.19 | $-$ | 0.01 | 0.19 $\mathcal{A}_{\textrm{SS, }DK}$ | 0.14 | 0.44 | 1.71 | 0.01 | 1.78 $\mathcal{A}_{\textrm{OS, }DK}$ | 0.36 | 2.13 | 0.99 | 0.01 | 2.37 $\mathcal{A}_{\textrm{SS, }D\pi}$ | 0.02 | 0.05 | 0.99 | $<0.01$ | 0.99 $\mathcal{A}_{\textrm{OS, }D\pi}$ | 0.03 | 0.10 | 1.71 | $<0.01$ | 1.72 Table 4: Absolute values of systematic uncertainties, in units of $10^{-2}$, for the fit in the restricted region. Observable | Eff. correction | Fit PDFs | Prod. and det. asymms. | PID | Total ---|---|---|---|---|--- $\mathcal{R}_{\textrm{SS/OS}}$ | 6.08 | 0.53 | $-$ | 0.01 | 6.10 $\mathcal{R}_{DK/D\pi\textrm{, SS}}$ | 0.01 | 0.25 | $-$ | 0.02 | 0.25 $\mathcal{R}_{DK/D\pi\textrm{, OS}}$ | 0.01 | 0.21 | $-$ | 0.01 | 0.21 $\mathcal{A}_{\textrm{SS, }DK}$ | 0.13 | 2.27 | 1.71 | 0.01 | 2.85 $\mathcal{A}_{\textrm{OS, }DK}$ | 0.04 | 2.38 | 0.99 | 0.01 | 2.57 $\mathcal{A}_{\textrm{SS, }D\pi}$ | 0.04 | 0.17 | 0.99 | $<0.01$ | 1.00 $\mathcal{A}_{\textrm{OS, }D\pi}$ | 0.06 | 0.09 | 1.71 | $<0.01$ | 1.72 ## 7 Interpretation and conclusions The sensitivity of this result to the CKM angle $\gamma$ is investigated by employing a frequentist method to scan the $\gamma-r_{B}$ parameter space and calculate the $\chi^{2}$ probability at each point, given the measurements of the observables with their statistical and systematic uncertainties combined in quadrature, accounting for correlations between the statistical uncertainties. The effects of charm mixing are accounted for, but $C\\!P$ violation in the decays of $D$ mesons is neglected. Regions of $1\sigma$, $2\sigma$ and $3\sigma$ compatibility with the measurements made are indicated by the dark, medium and light blue regions, respectively, in Fig. 4. The small sample size in the current data set results in a bound on $\gamma$ that is only closed for the $1\sigma$ contour. Figure 4: Scans of the $\chi^{2}$ probabilities over the $\gamma-r_{B}$ parameter space for (a) the whole Dalitz fit and (b) the fit inside the $K^{*}$ region (b). The contours are the usual $n\sigma$ profile likelihood contours, where $\Delta\chi^{2}=n^{2}$ with $n=1\textrm{ (dark blue), }2\textrm{ (medium blue), and }3\textrm{ (light blue)}$. The $2\sigma$ contour encloses almost all of the parameter space shown, so a central value of $\gamma$ and relevant bounds are not extracted. The result is seen to be compatible with the current LHCb measurement of $\gamma$, indicated by the point at ($\gamma=72.0^{\circ}$ and $r_{B}=0.089$), at a level between 1 and $2\sigma$. Although it is not possible to measure $\gamma$ directly using these results alone, it is of interest to consider how this result relates to the previous LHCb $\gamma$ determination, obtained from other $B^{\pm}\rightarrow DK^{\pm}$ modes [8], since it will be included in future combinations. In order to aid this comparison, the scans of the $\gamma-r_{B}$ space plots are shown in Fig. 4(a) for the measurement made using the whole $D\rightarrow K^{0}_{\rm\scriptscriptstyle S}K\pi$ Dalitz plot and in Fig. 4(b) for that made in the restricted region. The current LHCb average, extracted from a combination of $B^{\pm}\rightarrow DK^{\pm}$ analyses [8], is shown as a point with error bars at $\gamma=72.0^{\circ}$ and $r_{B}=0.089$. The LHCb average lies within the $2\sigma$ region allowed by the measurements presented in this Letter. It is interesting to note that the bound determined in the $\gamma- r_{B}$ space indicates a more stringent constraint when using the restricted region, where the coherence is higher. This, and the fact that the measurements in this Letter are limited by their statistical precision, motivates the use of this region in future analyses of these decays in a larger data sample. Combination with analyses in other, more abundant channels with sensitivity to the same parameters will yield more stringent constraints upon $\gamma$. In summary, for the first time a measurement of charge asymmetries and associated observables is presented in the decay modes $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{\pm}\pi^{\mp}]_{D}h^{\pm}$ and $B^{\pm}\rightarrow[K^{0}_{\rm\scriptscriptstyle S}K^{\mp}\pi^{\pm}]_{D}h^{\pm}$, and no significant $C\\!P$ violation is observed. The results of the analysis are consistent with other measurements of observables in related $B^{\pm}\rightarrow DK^{\pm}$ modes, and will be valuable in future global fits of the CKM parameter $\gamma$. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); MEN/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. 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arxiv-papers
2014-02-12T21:00:31
2024-09-04T02:49:58.179935
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, B. Adeva, M. Adinolfi, A. Affolder, Z.\n Ajaltouni, J. Albrecht, F. Alessio, M. Alexander, S. Ali, G. Alkhazov, P.\n Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio, Y. Amhis, L. Anderlini,\n J. Anderson, R. Andreassen, M. Andreotti, J.E. Andrews, R.B. Appleby, O.\n Aquines Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G.\n Auriemma, M. Baalouch, S. Bachmann, J.J. Back, A. Badalov, V. Balagura, W.\n Baldini, R.J. Barlow, C. Barschel, S. Barsuk, W. Barter, V. Batozskaya, Th.\n Bauer, A. Bay, J. Beddow, F. Bedeschi, I. Bediaga, S. Belogurov, K. Belous,\n I. Belyaev, E. Ben-Haim, G. Bencivenni, S. Benson, J. Benton, A. Berezhnoy,\n R. Bernet, M.-O. Bettler, M. van Beuzekom, A. Bien, S. Bifani, T. Bird, A.\n Bizzeti, P.M. Bj{\\o}rnstad, T. Blake, F. Blanc, J. Blouw, S. Blusk, V. Bocci,\n A. Bondar, N. Bondar, W. Bonivento, S. Borghi, A. Borgia, M. Borsato, T.J.V.\n Bowcock, E. Bowen, C. Bozzi, T. Brambach, J. van den Brand, J. Bressieux, D.\n Brett, M. Britsch, T. Britton, N.H. Brook, H. Brown, A. Bursche, G. Busetto,\n J. Buytaert, S. Cadeddu, R. Calabrese, O. Callot, M. Calvi, M. Calvo Gomez,\n A. Camboni, P. Campana, D. Campora Perez, A. Carbone, G. Carboni, R.\n Cardinale, A. Cardini, H. Carranza-Mejia, L. Carson, K. Carvalho Akiba, G.\n Casse, L. Cassina, L. Castillo Garcia, M. Cattaneo, Ch. Cauet, R. Cenci, M.\n Charles, Ph. Charpentier, S.-F. Cheung, N. Chiapolini, M. Chrzaszcz, K. Ciba,\n X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, I.\n Counts, B. Couturier, G.A. Cowan, D.C. Craik, M. Cruz Torres, S. Cunliffe, R.\n Currie, C. D'Ambrosio, J. Dalseno, P. David, P.N.Y. David, A. Davis, I. De\n Bonis, K. De Bruyn, S. De Capua, M. De Cian, J.M. De Miranda, L. De Paula, W.\n De Silva, P. De Simone, D. Decamp, M. Deckenhoff, L. Del Buono, N.\n D\\'el\\'eage, D. Derkach, O. Deschamps, F. Dettori, A. Di Canto, H. Dijkstra,\n S. Donleavy, F. Dordei, M. Dorigo, P. Dorosz, A. Dosil Su\\'arez, D. Dossett,\n A. Dovbnya, F. Dupertuis, P. Durante, R. Dzhelyadin, A. Dziurda, A. Dzyuba,\n S. Easo, U. Egede, V. Egorychev, S. Eidelman, S. Eisenhardt, U. Eitschberger,\n R. Ekelhof, L. Eklund, I. El Rifai, Ch. Elsasser, S. Esen, A. Falabella, C.\n F\\\"arber, C. Farinelli, S. Farry, D. Ferguson, V. Fernandez Albor, F.\n Ferreira Rodrigues, M. Ferro-Luzzi, S. Filippov, M. Fiore, M. Fiorini, C.\n Fitzpatrick, M. Fontana, F. Fontanelli, R. Forty, O. Francisco, M. Frank, C.\n Frei, M. Frosini, J. Fu, E. Furfaro, A. Gallas Torreira, D. Galli, M.\n Gandelman, P. Gandini, Y. Gao, J. Garofoli, J. Garra Tico, L. Garrido, C.\n Gaspar, R. Gauld, L. Gavardi, E. Gersabeck, M. Gersabeck, T. Gershon, Ph.\n Ghez, A. Gianelle, S. Giani', V. Gibson, L. Giubega, V.V. Gligorov, C.\n G\\\"obel, D. Golubkov, A. Golutvin, A. Gomes, H. Gordon, M. Grabalosa\n G\\'andara, R. Graciani Diaz, L.A. Granado Cardoso, E. Graug\\'es, G. Graziani,\n A. Grecu, E. Greening, S. Gregson, P. Griffith, L. Grillo, O. Gr\\\"unberg, B.\n Gui, E. Gushchin, Yu. Guz, T. Gys, C. Hadjivasiliou, G. Haefeli, C. Haen,\n T.W. Hafkenscheid, S.C. Haines, S. Hall, B. Hamilton, T. Hampson, S.\n Hansmann-Menzemer, N. Harnew, S.T. Harnew, J. Harrison, T. Hartmann, J. He,\n T. Head, V. Heijne, K. Hennessy, P. Henrard, L. Henry, J.A. Hernando Morata,\n E. van Herwijnen, M. He\\ss, A. Hicheur, D. Hill, M. Hoballah, C. Hombach, W.\n Hulsbergen, P. Hunt, N. Hussain, D. Hutchcroft, D. Hynds, V. Iakovenko, M.\n Idzik, P. Ilten, R. Jacobsson, A. Jaeger, E. Jans, P. Jaton, A. Jawahery, F.\n Jing, M. John, D. Johnson, C.R. Jones, C. Joram, B. Jost, N. Jurik, M.\n Kaballo, S. Kandybei, W. Kanso, M. Karacson, T.M. Karbach, M. Kelsey, I.R.\n Kenyon, T. Ketel, B. Khanji, C. Khurewathanakul, S. Klaver, O. Kochebina, I.\n Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A. Kozlinskiy, L. Kravchuk,\n K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F. Kruse, M. Kucharczyk, V.\n Kudryavtsev, K. Kurek, T. Kvaratskheliya, V.N. La Thi, D. Lacarrere, G.\n Lafferty, A. Lai, D. Lambert, R.W. Lambert, E. Lanciotti, G. Lanfranchi, C.\n Langenbruch, T. Latham, C. Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees,\n R. Lef\\`evre, A. Leflat, J. Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B.\n Leverington, Y. Li, M. Liles, R. Lindner, C. Linn, F. Lionetto, B. Liu, G.\n Liu, S. Lohn, I. Longstaff, J.H. Lopes, N. Lopez-March, P. Lowdon, H. Lu, D.\n Lucchesi, J. Luisier, H. Luo, E. Luppi, O. Lupton, F. Machefert, I.V.\n Machikhiliyan, F. Maciuc, O. Maev, S. Malde, G. Manca, G. Mancinelli, M.\n Manzali, J. Maratas, U. Marconi, P. Marino, R. M\\\"arki, J. Marks, G.\n Martellotti, A. Martens, A. Mart\\'in S\\'anchez, M. Martinelli, D. Martinez\n Santos, F. Martinez Vidal, D. Martins Tostes, A. Massafferri, R. Matev, Z.\n Mathe, C. Matteuzzi, A. Mazurov, M. McCann, J. McCarthy, A. McNab, R.\n McNulty, B. McSkelly, B. Meadows, F. Meier, M. Meissner, M. Merk, D.A.\n Milanes, M.-N. Minard, J. Molina Rodriguez, S. Monteil, D. Moran, M.\n Morandin, P. Morawski, A. Mord\\`a, M.J. Morello, R. Mountain, F. Muheim, K.\n M\\\"uller, R. Muresan, B. Muryn, B. Muster, P. Naik, T. Nakada, R. Nandakumar,\n I. Nasteva, M. Needham, N. Neri, S. Neubert, N. Neufeld, A.D. Nguyen, T.D.\n Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R. Niet, N. Nikitin, T. Nikodem,\n A. Novoselov, A. Oblakowska-Mucha, V. Obraztsov, S. Oggero, S. Ogilvy, O.\n Okhrimenko, R. Oldeman, G. Onderwater, M. Orlandea, J.M. Otalora Goicochea,\n P. Owen, A. Oyanguren, B.K. Pal, A. Palano, F. Palombo, M. Palutan, J.\n Panman, A. Papanestis, M. Pappagallo, L. Pappalardo, C. Parkes, C.J.\n Parkinson, G. Passaleva, G.D. Patel, M. Patel, C. Patrignani, C.\n Pavel-Nicorescu, A. Pazos Alvarez, A. Pearce, A. Pellegrino, G. Penso, M.\n Pepe Altarelli, S. Perazzini, E. Perez Trigo, P. Perret, M. Perrin-Terrin, L.\n Pescatore, E. Pesen, G. Pessina, K. Petridis, A. Petrolini, E. Picatoste\n Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, A. Pistone, S. Playfer, M. Plo\n Casasus, F. Polci, G. Polok, A. Poluektov, E. Polycarpo, A. Popov, D. Popov,\n B. Popovici, C. Potterat, A. Powell, J. Prisciandaro, A. Pritchard, C.\n Prouve, V. Pugatch, A. Puig Navarro, G. Punzi, W. Qian, B. Rachwal, J.H.\n Rademacker, B. Rakotomiaramanana, M. Rama, M.S. Rangel, I. Raniuk, N.\n Rauschmayr, G. Raven, S. Redford, S. Reichert, M.M. Reid, A.C. dos Reis, S.\n Ricciardi, A. Richards, K. Rinnert, V. Rives Molina, D.A. Roa Romero, P.\n Robbe, D.A. Roberts, A.B. Rodrigues, E. Rodrigues, P. Rodriguez Perez, S.\n Roiser, V. Romanovsky, A. Romero Vidal, M. Rotondo, J. Rouvinet, T. Ruf, F.\n Ruffini, H. Ruiz, P. Ruiz Valls, G. Sabatino, J.J. Saborido Silva, N.\n Sagidova, P. Sail, B. Saitta, V. Salustino Guimaraes, B. Sanmartin Sedes, R.\n Santacesaria, C. Santamarina Rios, E. Santovetti, M. Sapunov, A. Sarti, C.\n Satriano, A. Satta, M. Savrie, D. Savrina, M. Schiller, H. Schindler, M.\n Schlupp, M. Schmelling, B. Schmidt, O. Schneider, A. Schopper, M.-H. Schune,\n R. Schwemmer, B. Sciascia, A. Sciubba, M. Seco, A. Semennikov, K.\n Senderowska, I. Sepp, N. Serra, J. Serrano, P. Seyfert, M. Shapkin, I.\n Shapoval, Y. Shcheglov, T. Shears, L. Shekhtman, O. Shevchenko, V.\n Shevchenko, A. Shires, R. Silva Coutinho, G. Simi, M. Sirendi, N. Skidmore,\n T. Skwarnicki, N.A. Smith, E. Smith, E. Smith, J. Smith, M. Smith, H. Snoek,\n M.D. Sokoloff, F.J.P. Soler, F. Soomro, D. Souza, B. Souza De Paula, B.\n Spaan, A. Sparkes, F. Spinella, P. Spradlin, F. Stagni, S. Stahl, O.\n Steinkamp, S. Stevenson, S. Stoica, S. Stone, B. Storaci, S. Stracka, M.\n Straticiuc, U. Straumann, R. Stroili, V.K. Subbiah, L. Sun, W. Sutcliffe, S.\n Swientek, V. Syropoulos, M. Szczekowski, P. Szczypka, D. Szilard, T. 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Wu,\n K. Wyllie, Y. Xie, Z. Xing, Z. Yang, X. Yuan, O. Yushchenko, M. Zangoli, M.\n Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y. Zhang, A. Zhelezov, A.\n Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Daniel Johnson", "url": "https://arxiv.org/abs/1402.2982" }
1402.3156
# Second main theorems for meromorphic mappings intersecting moving hyperplanes with truncated counting functions and unicity problem Si Duc Quang Department of Mathematics, Hanoi National University of Education 136-Xuan Thuy, Cau Giay, Hanoi, Vietnam Email: [email protected] ###### Abstract. In this article, we show some new second main theorems for the mappings and moving hyperplanes of ${\mathbf{P}}^{n}({\mathbf{C}})$ with truncated counting functions. Our results are improvements of recent previous second main theorems for moving hyperplanes with the truncated (to level $n$) counting functions. As their application, we prove a unicity theorem for meromorphic mappings sharing moving hyperplanes. ††footnotetext: 2010 Mathematics Subject Classification: Primary 32H30, 32A22; Secondary 30D35. Key words and phrases: Nevanlinna, second main theorem, meromorphic mapping, moving hyperplane. ## 1\. Introduction The theory of the Nevanlinna’s second main theorem for meromorphic mappings of ${\mathbf{C}}^{m}$ into the complex projective space ${\mathbf{P}}^{n}({\mathbf{C}})$ intersecting a finite set of fixed hyperplanes or moving hyperplanes in ${\mathbf{P}}^{n}({\mathbf{C}})$ was started about 70 years ago and has grown into a huge theory. For the case of fixed hyperplanes, maybe, the second main theorem given by Cartan-Nochka is the best possible. Unfortunately, so far there has been a few second main theorems with truncated counting functions for moving hyperplanes. Moreover, almost of them are not sharp. We state here some recent results on the second main theorems for moving hyperplanes with truncated counting functions. Let $\\{a_{i}\\}_{i=1}^{q}$ be meromorphic mappings of ${\mathbf{C}}^{m}$ into the dual space ${\mathbf{P}}^{n}({\mathbf{C}})^{*}$ in general position. For the case of nondegenerate meromorphic mappings, the second main theorem with truncated (to level $n$) counting functions states that. Theorem A (see [4, Theorem 2.3] and [6, Theorem 3.1]). Let $f:{\mathbf{C}}^{m}\to{\mathbf{P}}^{n}({\mathbf{C}})$ be a meromorphic mapping. Let $\\{a_{i}\\}_{i=1}^{q}\ (q\geq n+2)$ be meromorphic mappings of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})^{*}$ in general position such that $f$ is linearly nondegenerate over $\mathcal{R}(\\{a_{i}\\}_{i=1}^{q}).$ Then $||\ \dfrac{q}{n+2}T_{f}(r)\leq\sum_{i=1}^{q}N_{(f,a_{i})}^{[n]}(r)+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)).$ We note that, Theorem A is still the best second main theorem with truncated counting functions for nondegenerate meromorphic mappings and moving hyperplanes available at present. In the case of degenerate meromorphic mappings, the second main theorem for moving hyperplanes with counting function truncated to level $n$ was first given by M. Ru-J. Wang [5] in 2004. After that in 2008, D. D. Thai-S. D. Quang [7] improved the result of M. Ru-J. Wang by proved the following second main theorem. Theorem B (see [7, Corollary 1]). Let $f:{\mathbf{C}}^{m}\to{\mathbf{P}}^{n}({\mathbf{C}})$ be a meromorphic mapping. Let $\\{a_{i}\\}_{i=1}^{q}$ $(q\geq 2n+1)$ be $q$ meromorphic mappings of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})^{*}$ in general position such that $(f,a_{i})\not\equiv 0\ (1\leq i\leq{q}).$ Then $\bigl{|}\bigl{|}\quad\dfrac{q}{2n+1}\cdot T_{f}(r)\leq\sum_{i=1}^{q}N^{[n]}_{(f,a_{i})}(r)+O\bigl{(}\max_{1\leq i\leq{q}}T_{a_{i}}(r)\bigl{)}+O\bigl{(}\log^{+}T_{f}(r)\bigl{)}.$ These results play very essential roles in almost all researches on truncated multiplicity problems of meromorphic mappings with moving hyperplanes. Hovewer, in our opinion, the above mentioned results of these authors are still weak. Our main purpose of the present paper is to show a stronger second main theorem of meromorphic mappings from ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})$ for moving targets. Namely, we will prove the following. ###### Theorem 1.1. Let $f:{\mathbf{C}}^{m}\to{\mathbf{P}}^{n}({\mathbf{C}})$ be a meromorphic mapping. Let $\\{a_{i}\\}_{i=1}^{q}\ (q\geq 2n-k+2)$ be meromorphic mappings of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})^{*}$ in general position such that $(f,a_{i})\not\equiv 0\ (1\leq i\leq q),$ where $k+1=\mathrm{rank}_{\mathcal{R}\\{a_{i}\\}}(f)$. Then the following assertions hold: $\displaystyle\mathrm{(a)}\ ||\ \dfrac{q}{2n-k+2}T_{f}(r)\leq\sum_{i=1}^{q}N_{(f,a_{i})}^{[k]}(r)+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)),$ $\displaystyle\mathrm{(b)}\ ||\ \dfrac{q-n+2k-1}{n+k+1}T_{f}(r)\leq\sum_{i=1}^{q}N_{(f,a_{i})}^{[k]}(r)+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)).$ We may see that Theorem 1.1(a) is a generalization of Theorem A and also is an improvement of Theorem B. Theorem 1.1(b) is really stronger than Theorem B. Remark. 1) If $k\geq\dfrac{n+1}{2}$ then Theorem 1.1(a) is stronger than Theorem 1.1(b). Otherwise, if $k<\dfrac{n+1}{2}$ then Theorem 1.1(b) is stronger than Theorem 1.1(a). 2) If $k=0$ then $f$ is constant map, and hence $T_{f}(r)=0.$ 3) Setting $t=\frac{2n-k+2}{3n+3}$ and $\lambda=\frac{n+k+1}{3n+3},$ we have $t+\lambda=1$. Thus, for all $1\leq k\leq n$ we have $\displaystyle\max\biggl{\\{}\dfrac{q}{2n-k+2},\dfrac{q-n+2k-1}{n+k+1}\biggl{\\}}$ $\displaystyle\geq\dfrac{q}{2n-k+2}\cdot t+\dfrac{q-n+2k-1}{n+k+1}\cdot\lambda$ $\displaystyle=\dfrac{2q-n+2k-1}{3n+3}\geq\dfrac{2q-n+1}{3n+3}.$ 4) If $k\geq 1$, we have the following estimates: * • $\min_{\frac{n+1}{2}\leq k\leq n,(k\in\mathbf{Z})}\left(\dfrac{q}{2n-k+2}\right)\geq\dfrac{q}{2n-\frac{n+1}{2}+2}=\dfrac{2q}{3(n+1)}$. * • $\min_{1\leq k\leq\frac{n+1}{2},(k\in\mathbf{Z})}\left(\dfrac{q-n+2k-1}{n+k+1}\right)=\min_{1\leq k\leq\frac{n+1}{2},(k\in\mathbf{Z})}\left(\dfrac{q-3n-3}{n+k+1}+2\right)$ $\geq\begin{cases}\dfrac{2q}{3(n+1)}&\text{ if }q\geq 3n+3\\\ \dfrac{q-n+1}{n+2}&\text{ if }q<3n+3\end{cases}$ Thus $\min_{1\leq k\leq n}\biggl{\\{}\max\bigl{\\{}\dfrac{q}{2n-k+2},\dfrac{q-n+2k-1}{n+k+1}\bigl{\\}}\biggl{\\}}\geq\begin{cases}\dfrac{2q}{3(n+1)}&\text{ if }q\geq 3n+3\\\ \dfrac{q-n+1}{n+2}&\text{ if }q<3n+3.\end{cases}$ Therefore, from Theorem 1.1 and Remark (1-4) we have the following corollary. ###### Corollary 1.2. Let $f:{\mathbf{C}}^{m}\to{\mathbf{P}}^{n}({\mathbf{C}})$ be a meromorphic mapping. Let $\\{a_{i}\\}_{i=1}^{q}\ (q\geq 2n+1)$ be meromorphic mappings of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})^{*}$ in general position such that $(f,a_{i})\not\equiv 0\ (1\leq i\leq q).$ $\mathrm{(a)}$ Then we have $||\dfrac{2q-n+1}{3(n+1)}T_{f}(r)\leq\sum_{i=1}^{q}N_{(f,a_{i})}^{[n]}(r)+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)).$ $\mathrm{(b)}$ If $q\geq 3n+3$ then $||\dfrac{2q}{3(n+1)}T_{f}(r)\leq\sum_{i=1}^{q}N_{(f,a_{i})}^{[n]}(r)+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)).$ $\mathrm{(c)}$ If $q<3n+3$ then $||\dfrac{q-n+1}{n+2}T_{f}(r)\leq\sum_{i=1}^{q}N_{(f,a_{i})}^{[n]}(r)+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)).$ As applications of these second main theorems, in the last section we will prove a unicity theorem for meromorphic mappings sharing moving hyperplanes regardless of multiplicities. To state our main result, we give the following definition. Let $f:{\mathbf{C}}^{m}\to{\mathbf{P}}^{n}({\mathbf{C}})$ be a meromorphic mapping. Let $k$ be a positive integer or maybe $+\infty$. Let $\\{a_{i}\\}_{i=1}^{q}$ be “slowly” (with respect to $f$) moving hyperplanes in ${\mathbf{P}}^{n}({\mathbf{C}})$ in general position such that $\dim\ \\{z\in{\mathbf{C}}^{m}:(f,a_{i})(z)\cdot(f,a_{j})(z)=0\\}\leq m-2\quad(1\leq i<j\leq q).$ Consider the set $\mathcal{F}(f,\\{a_{i}\\}_{i=1}^{q},k)$ of all meromorphic maps $g:{\mathbf{C}}^{m}\to{\mathbf{P}}^{n}({\mathbf{C}})$ satisfying the following two conditions: (a) $\min\\{\nu_{(f,a_{i})}(z),k\\}=\min\\{\nu_{(g,a_{i})}(z),k\\}\quad(1\leq i\leq q),$ for all $z\in{\mathbf{C}}^{m}$, (b) $f(z)=g(z)$ for all $z\in\bigcup_{i=1}^{q}\mathrm{Zero}(f,a_{i})$. We wil prove the following ###### Theorem 1.3. Let $f:{\mathbf{C}}^{m}\to{\mathbf{P}}^{n}({\mathbf{C}})$ be a meromorphic mapping. Let $\\{a_{i}\\}_{i=1}^{q}$ be slowly (with respect to $f$) moving hyperplanes in ${\mathbf{P}}^{n}({\mathbf{C}})$ in general position such that $\dim\ \\{z\in{\mathbf{C}}^{m}:(f,a_{i})(z)\cdot(f,a_{j})(z)=0\\}\leq m-2\quad(1\leq i<j\leq q).$ Then the following assertions hold: a) If $q>\frac{9n^{2}+9n+4}{4}$ then $\sharp\ \mathcal{F}(f,\\{a_{i}\\}_{i=1}^{q},1)\leq 2,$ b) If $q>3n^{2}+n+2$ then $\sharp\ \mathcal{F}(f,\\{a_{i}\\}_{i=1}^{q},1)=1.$ Acknowledgements. This work was done during a stay of the author at Vietnam Institute for Advanced Study in Mathematics. He would like to thank the institute for their support. ## 2\. Basic notions and auxiliary results from Nevanlinna theory (a) Counting function of divisor. For $z=(z_{1},\dots,z_{m})\in{\mathbf{C}}^{m}$, we set $\|z\|=\Big{(}\sum\limits_{j=1}^{m}|z_{j}|^{2}\Big{)}^{1/2}$ and define $\displaystyle B(r)$ $\displaystyle=\\{z\in{\mathbf{C}}^{m};\|z\|<r\\},\quad S(r)=\\{z\in{\mathbf{C}}^{m};\|z\|=r\\},$ $\displaystyle d^{c}$ $\displaystyle=\dfrac{\sqrt{-1}}{4\pi}(\overline{\partial}-\partial),\quad\sigma=\big{(}dd^{c}\|z\|^{2}\big{)}^{m-1},$ $\displaystyle\eta$ $\displaystyle=d^{c}\text{log}\|z\|^{2}\land\big{(}dd^{c}\text{log}\|z\|\big{)}^{m-1}.$ Thoughout this paper, we denote by $\mathcal{M}$ the set of all meromorphic functions on ${\mathbf{C}}^{m}$. A divisor $E$ on ${\mathbf{C}}^{m}$ is given by a formal sum $E=\sum\mu_{\nu}X_{\nu}$, where $\\{X_{\nu}\\}$ is a locally family of distinct irreducible analytic hypersurfaces in ${\mathbf{C}}^{m}$ and $\mu_{\nu}\in\mathbf{Z}$. We define the support of the divisor $E$ by setting $\mathrm{Supp}\,(E)=\cup_{\nu\neq 0}X_{\nu}$. Sometimes, we identify the divisor $E$ with a function $E(z)$ from ${\mathbf{C}}^{m}$ into $\mathbf{Z}$ defined by $E(z):=\sum_{X_{\nu}\ni z}\mu_{\nu}$. Let $k$ be a positive integer or $+\infty$. We define the truncated divisor $E^{[k]}$ by $E^{[k]}:=\sum_{\nu}\min\\{\mu_{\nu},k\\}X_{\nu},$ and the truncated counting function to level $k$ of $E$ by $\displaystyle N^{[k]}(r,E):=\int\limits_{1}^{r}\frac{n^{[k]}(t,E)}{t^{2m-1}}dt\quad(1<r<+\infty),$ where $\displaystyle n^{[k]}(t,E):=\begin{cases}\int\limits_{\mathrm{Supp}\,(E)\cap B(t)}E^{[k]}\sigma&\text{ if }m\geq 2,\\\ \sum_{|z|\leq t}E^{[k]}(z)&\text{ if }m=1.\end{cases}$ We omit the character [k] if $k=+\infty$. For an analytic hypersurface $E$ of ${\mathbf{C}}^{m}$, we may consider it as a reduced divisor and denote by $N(r,E)$ its counting function. Let $\varphi$ be a nonzero meromorphic function on ${\mathbf{C}}^{m}$. We denote by $\nu^{0}_{\varphi}$ (resp. $\nu^{\infty}_{\varphi}$) the divisor of zeros (resp. divisor of poles) of $\varphi$. The divisor of $\varphi$ is defined by $\nu_{\varphi}=\nu^{0}_{\varphi}-\nu^{\infty}_{\varphi}.$ We have the following Jensen’s formula: $\displaystyle N(r,\nu^{0}_{\varphi})-N(r,\nu^{\infty}_{\varphi})=\int\limits_{S(r)}\text{log}|\varphi|\eta-\int\limits_{S(1)}\text{log}|\varphi|\eta.$ For convenience, we will write $N_{\varphi}(r)$ and $N^{[k]}_{\varphi}(r)$ for $N(r,\nu^{0}_{\varphi})$ and $N^{[k]}(r,\nu^{0}_{\varphi})$, respectively. (b) The first main theorem. Let $f$ be a meromorphic mapping of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})$. For arbitrary fixed homogeneous coordinates $(w_{0}:\cdots:w_{n})$ of ${\mathbf{P}}^{n}({\mathbf{C}})$, we take a reduced representation $f=(f_{0}:\cdots:f_{n})$, which means that each $f_{i}$ is holomorphic function on ${\mathbf{C}}^{m}$ and $f(z)=(f_{0}(z):\cdots:f_{n}(z))$ outside the analytic set $I(f):=\\{z;f_{0}(z)=\cdots=f_{n}(z)=0\\}$ of codimension at least $2$. Denote by $\Omega$ the Fubini Study form of ${\mathbf{P}}^{n}({\mathbf{C}})$. The characteristic function of $f$ (with respect to $\Omega$) is defined by $\displaystyle T_{f}(r):=\int_{1}^{r}\dfrac{dt}{t^{2m-1}}\int_{B(t)}f^{*}\Omega\wedge\sigma,\quad\quad 1<r<+\infty.$ By Jensen’s formula we have $\displaystyle T_{f}(r)=\int_{S(r)}\log||f||\eta+O(1),$ where $\|f\|=\max\\{|f_{0}|,\dots,|f_{n}|\\}$. Let $a$ be a meromorphic mapping of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})^{*}$ with reduced representation $a=(a_{0}:\dots:a_{n})$. We define $m_{f,a}(r)=\int\limits_{S(r)}\text{log}\dfrac{||f||\cdot||a||}{|(f,a)|}\eta-\int\limits_{S(1)}\text{log}\dfrac{||f||\cdot||a||}{|(f,a)|}\eta,$ where $\|a\|=\big{(}|a_{0}|^{2}+\dots+|a_{n}|^{2}\big{)}^{1/2}$ and $(f,a)=\sum_{i=0}^{n}f_{i}\cdot a_{i}.$ Let $f$ and $a$ be as above. If $(f,a)\not\equiv 0$, then the first main theorem for moving hyperplaness in value distribution theory states $T_{f}(r)+T_{a}(r)=m_{f,a}(r)+N_{(f,a)}(r)+O(1)\ (r>1).$ For a meromorphic function $\varphi$ on ${\mathbf{C}}^{m}$, the proximity function $m(r,\varphi)$ is defined by $m(r,\varphi)=\int\limits_{S(r)}\log^{+}|\varphi|\eta,$ where $\log^{+}x=\max\big{\\{}\log x,0\big{\\}}$ for $x\geqslant 0$. The Nevanlinna’s characteristic function is defined by $T(r,\varphi)=N(r,\nu^{\infty}_{\varphi})+m(r,\varphi).$ We regard $\varphi$ as a meromorphic mapping of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{1}({\mathbf{C}})^{*}$, there is a fact that $T_{\varphi}(r)=T(r,\varphi)+O(1).$ (c) Lemma on logarithmic derivative. As usual, by the notation $``||\ P"$ we mean the assertion $P$ holds for all $r\in[0,\infty)$ excluding a Borel subset $E$ of the interval $[0,\infty)$ with $\int_{E}dr<\infty$. Denote by $\mathbf{Z}_{+}$ the set of all nonnegative integers. The lemma on logarithmic derivative in Nevanlinna theorey is stated as follows. ###### Lemma 2.1 (see [8, Lemma 3.11]). Let $f$ be a nonzero meromorphic function on ${\mathbf{C}}^{m}.$ Then $\biggl{|}\biggl{|}\quad m\biggl{(}r,\dfrac{\mathcal{D}^{\alpha}(f)}{f}\biggl{)}=O(\log^{+}T_{f}(r))\ (\alpha\in\mathbf{Z}^{m}_{+}).$ (d) Family of moving hyperplanes. We assume that thoughout this paper, the homogeneous coordinates of ${\mathbf{P}}^{n}({\mathbf{C}})$ is chosen so that for each given meromorphic mapping $a=(a_{0}:\cdots:a_{n})$ of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})^{*}$ then $a_{0}\not\equiv 0$. We set $\tilde{a}_{i}=\dfrac{a_{i}}{a_{0}}\text{ and }\tilde{a}=(\tilde{a}_{0}:\tilde{a}_{1}:\cdots:\tilde{a}_{n}).$ Let $f:{\mathbf{C}}^{m}\rightarrow{\mathbf{P}}^{n}({\mathbf{C}})$ be a meromorphic mapping with the reduced representation $f=(f_{0}:\cdots:f_{n}).$ We put $(f,a):=\sum_{i=0}^{n}f_{i}a_{i}$ and $(f,\tilde{a}):=\sum_{i=0}^{n}f_{i}\tilde{a}_{i}.$ Let $\\{a_{i}\\}_{i=1}^{q}$ be $q$ meromorphic mappings of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})^{*}$ with reduced representations $a_{i}=(a_{i0}:\cdots:a_{in})\ (1\leq i\leq q).$ We denote by $\mathcal{R}(\\{a_{i}\\})$ (for brevity we will write $\mathcal{R}$ if there is no confusion) the smallest subfield of $\mathcal{M}$ which contains ${\mathbf{C}}$ and all ${a_{i_{j}}}/{a_{i_{k}}}$ with $a_{i_{k}}\not\equiv 0.$ ###### Definition 2.2. The family $\\{a_{i}\\}_{i=1}^{q}$ is said to be in general position if $\dim(\\{a_{i_{0}},\ldots,a_{i_{n}}\\})_{\mathcal{M}}=n+1$ for any $1\leq i_{0}\leq\cdots\leq i_{n}\leq q$, where $(\\{a_{i_{0}},\ldots,a_{i_{n}}\\})_{\mathcal{M}}$ is the linear span of $\\{a_{i_{0}},\ldots,a_{i_{N}}\\}$ over the field $\mathcal{M}.$ ###### Definition 2.3. A subset $\mathcal{L}$ of $\mathcal{M}$ (or $\mathcal{M}^{n+1}$) is said to be minimal over the field $\mathcal{R}$ if it is linearly dependent over $\mathcal{R}$ and each proper subset of $\mathcal{L}$ is linearly independent over $\mathcal{R}.$ Repeating the argument in ([1, Proposition 4.5]), we have the following: ###### Proposition 2.4 (see [1, Proposition 4.5]). Let $\Phi_{0},\ldots,\Phi_{k}$ be meromorphic functions on ${\mathbf{C}}^{m}$ such that $\\{\Phi_{0},\ldots,\Phi_{k}\\}$ are linearly independent over ${\mathbf{C}}.$ Then there exists an admissible set $\\{\alpha_{i}=(\alpha_{i1},\ldots,\alpha_{im})\\}_{i=0}^{k}\subset\mathbf{Z}^{m}_{+}$ with $|\alpha_{i}|=\sum_{j=1}^{n}|\alpha_{ij}|\leq k\ (0\leq i\leq k)$ such that the following are satisfied: (i) $\\{{\mathcal{D}}^{\alpha_{i}}\Phi_{0},\ldots,{\mathcal{D}}^{\alpha_{i}}\Phi_{k}\\}_{i=0}^{k}$ is linearly independent over $\mathcal{M},$ i.e, $\det{({\mathcal{D}}^{\alpha_{i}}\Phi_{j})}\not\equiv 0.$ (ii) $\det\bigl{(}{\mathcal{D}}^{\alpha_{i}}(h\Phi_{j})\bigl{)}=h^{k+1}\det\bigl{(}{\mathcal{D}}^{\alpha_{i}}\Phi_{j}\bigl{)}$ for any nonzero meromorphic function $h$ on ${\mathbf{C}}^{m}.$ ## 3\. Proof of Theorem 1.1 In order to prove Theorem 1.1 we need the following. ###### Lemma 3.1. Let $f:{\mathbf{C}}^{m}\rightarrow{\mathbf{P}}^{n}({\mathbf{C}})$ be a meromorphic mapping. Let $\\{a_{i}\\}_{i=1}^{q}$ $(q\geq n+1)$ be $q$ meromorphic mappings of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})^{*}$ in general position. Assume that there exists a partition $\\{1,\ldots,q\\}=I_{1}\cup I_{2}\cdots\cup I_{l}$ satisfying: $\mathrm{(i)}$ $\\{(f,\tilde{a}_{i})\\}_{i\in I_{1}}$ is minimal over $\mathcal{R}$, and $\\{(f,\tilde{a}_{i})\\}_{i\in I_{t}}$ is linearly independent over $\mathcal{R}\ (2\leq t\leq l),$ $\mathrm{(ii)}$ For any $2\leq t\leq l,i\in I_{t},$ there exist meromorphic functions $c_{i}\in\mathcal{R}\setminus\\{0\\}$ such that $\sum_{i\in I_{t}}c_{i}(f,\tilde{a}_{i})\in\biggl{(}\bigcup_{j=1}^{t-1}\bigcup_{i\in I_{j}}(f,\tilde{a}_{i})\biggl{)}_{\mathcal{R}}.$ Then we have $T_{f}(r)\leq\sum_{i=1}^{q}N^{[k]}_{(f,a_{i})}+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)),$ where $k+1=\mathrm{rank}_{\mathcal{R}}(f)$. Proof. Let $f=(f_{0}:\cdots:f_{n})$ be a reduced representation of $f$. By changing the homogeneous coordinate system of ${\mathbf{P}}^{n}({\mathbf{C}})$ if necessary, we may assume that $f_{0}\not\equiv 0.$ Without loss of generality, we may assume that $I_{1}=\\{1,\ldots.,k_{1}\\}$ and $I_{t}=\\{k_{t-1}+1,\ldots,k_{t}\\}\ (2\leq t\leq l),\text{ where }1=k_{0}<\cdots<k_{l}=q.$ Since $\\{(f,\tilde{a}_{i})\\}_{i\in I_{1}}$ is minimal over $\mathcal{R}$, there exist $c_{1i}\in\mathcal{R}\setminus\\{0\\}$ such that $\sum_{i=1}^{k_{1}}c_{1i}\cdot(f,\tilde{a}_{i})=0.$ Define $c_{1i}=0$ for all $i>k_{1}.$ Then $\sum_{i=1}^{k_{l}}c_{1i}\cdot(f,\tilde{a}_{i})=0.$ Because ${\\{c_{1i}(f,\tilde{a}_{i})\\}}_{i=k_{0}+1}^{k_{1}}$ is linearly independent over $\mathcal{R},$ Lemma 2.4 yields that there exists an admissible set $\\{\alpha_{1(k_{0}+1)},\ldots,\alpha_{1k_{1}}\\}\subset\mathbf{Z}^{m}_{+}$ $(|\alpha_{1i}|\leq k_{1}-k_{0}-1\leq\mathrm{rank}_{\mathcal{R}}f-1=k)$ such that the matrix $\ A_{1}=\left(\mathcal{D}^{\alpha_{1i}}(c_{1j}(f,\tilde{a}_{j}));k_{0}+1\leq i,j\leq k_{1}\right)$ has nonzero determinant. Now consider $t\geq 2.$ By constructing the set $I_{t}$, there exist meromorphic mappings $c_{ti}\not\equiv 0\ (k_{t-1}+1\leq i\leq k_{t})$ such that $\sum_{i=k_{t-1}+1}^{k_{t}}c_{ti}\cdot(f,\tilde{a}_{i})\in\biggl{(}\bigcup_{j=1}^{t-1}\bigcup_{i\in I_{t}}{(f,\tilde{a}_{i})}\biggl{)}_{\mathcal{R}}.$ Therefore, there exist meromorphic mappings $c_{ti}\in\mathcal{R}\ (1\leq i\leq k_{t-1})$ such that $\sum_{i=1}^{k_{t}}c_{ti}\cdot(f,\tilde{a}_{i})=0.$ Define $c_{ti}=0$ for all $i>k_{t}.$ Then $\sum_{i=1}^{k_{l}}c_{ti}\cdot(f,\tilde{a}_{i})=0.$ Since $\\{c_{ti}(f,\tilde{a}_{i})\\}_{i=k_{t-1}+1}^{k_{t}}$ is $\mathcal{R}$-linearly independent, by again Lemma 2.4 there exists an admissible set $\\{\alpha_{t(k_{t-1}+1)},\ldots,\alpha_{tk_{t}}\\}\subset\mathbf{Z}^{m}_{+}$ $(|\alpha_{ti}|\leq k_{t}-k_{t-1}-1\leq\mathrm{rank}_{\mathcal{R}}f-1=k)$ such that the matrix $\ A_{t}=\left(\mathcal{D}^{\alpha_{ti}}(c_{1j}(f,\tilde{a}_{j}));k_{t-1}+1\leq i,j\leq k_{t}\right)$ has nonzero determinant. Consider the following $(k_{l}-1)\times k_{l}$ matrix $\displaystyle T$ $\displaystyle=\left(\mathcal{D}^{\alpha_{ti}}(c_{1j}(f,\tilde{a}_{j}));k_{0}+1\leq i\leq k_{t},1\leq j\leq k_{t}\right)$ $\displaystyle=\left[\begin{array}[]{cccc}\mathcal{D}^{\alpha_{12}}(c_{11}(f,\tilde{a}_{1}))&\cdots&\mathcal{D}^{\alpha_{12}}(c_{1k_{l}}(f,\tilde{a}_{k_{l}}))\\\ \mathcal{D}^{\alpha_{13}}(c_{11}(f,\tilde{a}_{1}))&\cdots&\mathcal{D}^{\alpha_{13}}(c_{1k_{l}}(f,\tilde{a}_{k_{l}}))\\\ \vdots&\vdots&\vdots\\\ \mathcal{D}^{\alpha_{1k_{1}}}(c_{11}(f,\tilde{a}_{1}))&\cdots&\mathcal{D}^{\alpha_{1k_{1}}}(c_{1k_{l}}(f,\tilde{a}_{k_{l}}))\\\ \mathcal{D}^{\alpha_{2k_{1}+1}}(c_{21}(f,\tilde{a}_{1}))&\cdots&\mathcal{D}^{\alpha_{2k_{1}+1}}(c_{2k_{l}}(f,\tilde{a}_{k_{l}}))\\\ \mathcal{D}^{\alpha_{2k_{1}+2}}(c_{21}(f,\tilde{a}_{1}))&\cdots&\mathcal{D}^{\alpha_{2k_{1}+2}}(c_{2k_{l}}(f,\tilde{a}_{k_{l}}))\\\ \vdots&\vdots&\vdots\\\ \mathcal{D}^{\alpha_{2k_{2}}}(c_{21}(f,\tilde{a}_{1}))&\cdots&\mathcal{D}^{\alpha_{2k_{2}}}(c_{2k_{t}}(f,\tilde{a}_{k_{l}}))\\\ \vdots&\vdots&\vdots\\\ \mathcal{D}^{\alpha_{lk_{l-1}+1}}(c_{l1}(f,\tilde{a}_{1}))&\cdots&\mathcal{D}^{\alpha_{lk_{l-1}+1}}(c_{lk_{l}}(f,\tilde{a}_{k_{l}}))\\\ \mathcal{D}^{\alpha_{lk_{l-1}+2}}(c_{l1}(f,\tilde{a}_{1}))&\cdots&\mathcal{D}^{\alpha_{lk_{l-1}+2}}(c_{lk_{l}}(f,\tilde{a}_{k_{l}}))\\\ \vdots&\vdots&\vdots\\\ \mathcal{D}^{\alpha_{lk_{l}}}(c_{lk}(f,\tilde{a}_{1}))&\cdots&\mathcal{D}^{\alpha_{lk_{l}}}(c_{lk_{l}}(f,\tilde{a}_{k_{l}}))\\\ \end{array}\right].$ Denote by $D_{i}$ the subsquare matrix obtained by deleting the $(i+1)$-th column of the minor matrix $T$. Since the sum of each row of $T$ is zero, we have $\det D_{i}={(-1)}^{i-1}\det D_{1}={(-1)}^{i-1}\prod_{j=1}^{l}\det A_{j}.$ Since $\\{a_{i}\\}_{i=1}^{q}$ is in general position, we have $\det(\tilde{a}_{ij},\ 1\leq i\leq n+1,0\leq j\leq n)\not\equiv 0.$ By solving the linear equation system $(f,\tilde{a}_{i})=\tilde{a}_{i0}\cdot f_{0}+\ldots+\tilde{a}_{in}\cdot f_{n}\ (1\leq i\leq n+1),$ we obtain (3.2) $\displaystyle f_{v}=\sum_{i=1}^{n+1}A_{vi}(f,\tilde{a}_{i})\ (A_{vi}\in\mathcal{R})\text{ for each }0\leq v\leq n.$ Put $\Psi(z)=\sum_{i=1}^{n+1}\sum_{v=0}^{n}|A_{vi}(z)|\ (z\in{\mathbf{C}}^{m}).$ Then $\ \ ||f(z)||\leq\Psi(z)\cdot\max_{1\leq i\leq n+1}\bigl{(}|(f,\tilde{a}_{i})(z)|\bigl{)}\leq\Psi(z)\cdot\max_{1\leq i\leq q}\bigl{(}|(f,\tilde{a}_{i})(z)|\bigl{)}\ (z\in{\mathbf{C}}^{m}),$ and $\displaystyle\int\limits_{S(r)}\log^{+}\Psi(z)\eta$ $\displaystyle\leq\sum_{i=1}^{n+1}\sum_{v=0}^{n}\int\limits_{S(r)}\log^{+}|A_{vi}(z)|\eta+O(1)$ $\displaystyle\leq\sum_{i=1}^{n+1}\sum_{v=0}^{n}T(r,A_{vi})+O(1)$ $\displaystyle=O(\max_{1\leq i\leq q}T_{a_{i}}(r))+O(1).$ Fix $z_{0}\in{\mathbf{C}}^{m}\setminus\bigcup_{j=1}^{q}\biggl{(}\mathrm{Supp}\,(\nu^{0}_{(f,\tilde{a}_{j})})\cup\mathrm{Supp}\,(\nu^{\infty}_{(f,\tilde{a}_{j})})\biggl{)}.$ Take $i\ (1\leq i\leq q)$ such that $|(f,\tilde{a}_{i})(z_{0})|=\max_{1\leq j\leq q}(|f,\tilde{a}_{j})(z_{0})|.$ Then $\displaystyle\dfrac{|\det D_{1}(z_{0})|\cdot||f(z_{0})||}{\prod_{j=1}^{q}|(f,\tilde{a}_{i})(z_{0})|}$ $\displaystyle=\dfrac{|\det D_{i}(z_{0})|}{\prod_{{\mathrel{\mathop{{j=0}}\limits_{{j\neq i}}}}}^{q}|(f,\tilde{a}_{j})(z_{0})|}\cdot\biggl{(}\dfrac{||f(z_{0})||}{|(f,\tilde{a}_{i})(z_{0})|}\biggl{)}$ $\displaystyle\leq\Psi(z_{0})\cdot\dfrac{|\det D_{i}(z_{0})|}{\prod_{{\mathrel{\mathop{{j=1}}\limits_{{j\neq i}}}}}^{q}|(f,\tilde{a}_{j})(z_{0})|}.$ This implies that $\displaystyle\log\dfrac{|\det D_{1}(z_{0})|.||f(z_{0})||}{\prod_{j=1}^{q}|(f,\tilde{a}_{j})(z_{0})|}$ $\displaystyle\leq\log^{+}\biggl{(}\Psi(z_{0})\cdot\biggl{(}\dfrac{|\det D_{i}(z_{0})|}{\prod_{j=1,j\neq i}^{q}|(f,\tilde{a}_{j})(z_{0})|}\biggl{)}\biggl{)}$ $\displaystyle\leq\log^{+}\biggl{(}\dfrac{|\det D_{i}(z_{0})|}{\prod_{j=1,j\neq i}^{q}|(f,\tilde{a}_{j})(z_{0})|}\biggl{)}+\log^{+}\Psi(z_{0}).$ Thus, for each $z\in{\mathbf{C}}^{m}\setminus\bigcup_{j=1}^{q}\biggl{(}\mathrm{Supp}\,(\nu^{0}_{(f,\tilde{a}_{j})})\cup\mathrm{Supp}\,(\nu^{\infty}_{(f,\tilde{a}_{j})})\biggl{)},$ we have $\displaystyle\log\dfrac{|\det D_{1}(z)|.||f(z)||}{\prod_{i=1}^{q}|(f,\tilde{a}_{i})(z)|}\leq\sum_{i=1}^{q}\log^{+}\biggl{(}\dfrac{|\det D_{i}(z)|}{\prod_{j=1,j\neq i}^{q}|(f,\tilde{a}_{j})(z)|}\biggl{)}+\log^{+}\Psi(z)$ Hence (3.3) $\displaystyle\log||f(z)||+\log\dfrac{|\det D_{1}(z)|}{\prod_{i=1}^{q}|(f,\tilde{a}_{i})(z)|}\leq\sum_{i=1}^{q}\log^{+}\biggl{(}\dfrac{|\det D_{i}(z)|}{\prod_{j=1,j\neq i}^{q}|(f,\tilde{a}_{j})(z)|}\biggl{)}+\log^{+}\Psi(z).$ Note that $\displaystyle\dfrac{\det D_{i}}{\prod_{j=1,j\neq i}^{q}(f,\tilde{a}_{j})}$ $\displaystyle=\dfrac{\det D_{i}/f_{0}^{q-1}}{\prod_{j=1,j\neq i}^{q}\biggl{(}(f,\tilde{a}_{j})/f_{0}\biggl{)}}$ $\displaystyle=\left[\begin{array}[]{cccc}\dfrac{\mathcal{D}^{\alpha_{12}}\biggl{(}\dfrac{c_{11}(f,\tilde{a}_{1})}{f_{0}}\biggl{)}}{\dfrac{(f,\tilde{a}_{1})}{f_{0}}}&\cdots&\dfrac{\mathcal{D}^{\alpha_{12}}\biggl{(}\dfrac{c_{1k_{l}}(f,\tilde{a}_{k_{l}})}{f_{0}}\biggl{)}}{\dfrac{(f,\tilde{a}_{k_{l}})}{f_{0}}}\\\ \vdots&\vdots&\vdots\\\ \dfrac{\mathcal{D}^{\alpha_{lk_{l}}}\biggl{(}\dfrac{c_{l1}(f,\tilde{a}_{1})}{f_{0}}\biggl{)}}{\dfrac{(f,\tilde{a}_{1})}{f_{0}}}&\cdots&\dfrac{\mathcal{D}^{\alpha_{lk_{l}}}\biggl{(}\dfrac{c_{lk_{l}}(f,\tilde{a}_{k_{l}})}{f_{0}}\biggl{)}}{\dfrac{(f,\tilde{a}_{k_{l}})}{f_{0}}}\end{array}\right]$ (The determinant is counted after deleting the $i$-th column in the above matrix). Each element of the above matrix has a form $\dfrac{\mathcal{D}^{\alpha}\biggl{(}\dfrac{c(f,\tilde{a}_{j})}{f_{0}}\biggl{)}}{\dfrac{(f,\tilde{a}_{j})}{f_{0}}}=\dfrac{\mathcal{D}^{\alpha}\biggl{(}\dfrac{c(f,\tilde{a}_{j})}{f_{0}}\biggl{)}}{\dfrac{c(f,\tilde{a}_{j})}{f_{0}}}\cdot c\ (c\in\mathcal{R}).$ By lemma on logarithmic derivative lemma, we have $\displaystyle\biggl{|}\biggl{|}\quad\quad m\biggl{(}r,\dfrac{\mathcal{D}^{\alpha}\biggl{(}\dfrac{c(f,\tilde{a}_{j})}{f_{0}}\biggl{)}}{\dfrac{(f,\tilde{a}_{j})}{f_{0}}}\biggl{)}$ $\displaystyle\leq m\biggl{(}r,\dfrac{\mathcal{D}^{\alpha}\biggl{(}\dfrac{c(f,\tilde{a}_{j})}{f_{0}}\biggl{)}}{\dfrac{c(f,\tilde{a}_{j})}{f_{0}}}\biggl{)}+m(r,c)$ $\displaystyle=O\biggl{(}\log^{+}T\biggl{(}r,\dfrac{c(f,\tilde{a}_{j})}{f_{0}}\biggl{)}\biggl{)}+O(\max_{1\leq i\leq q}T(r,a_{i}))$ $\displaystyle=O(\log^{+}T_{f}(r))+O(\max_{1\leq i\leq q}T(r,a_{i})).$ This yields that $\biggl{|}\biggl{|}\quad m\left(r,\dfrac{\det D_{i}}{\prod_{j=1,j\neq i}^{q}(f,\tilde{a}_{j})}\right)=O(\log^{+}T_{f}(r))+O(\max_{1\leq j\leq q}T_{a_{j}}(r))\ (1\leq i\leq q).$ Hence $\biggl{|}\biggl{|}\quad\quad\sum_{i=1}^{q}m\left(r,\dfrac{\det D_{i}}{\prod_{j=1,j\neq i}^{q}(f,\tilde{a}_{j})}\right)=O(\log^{+}T_{f}(r))+O(\max_{1\leq j\leq q}T_{a_{j}}(r)).$ Integrating both sides of the inequality (3.3), we have $\displaystyle\biggl{|}\biggl{|}\ \int_{S(r)}\log||f||\eta$ $\displaystyle+\int_{S(r)}\log\biggl{(}\dfrac{|\det{D}_{0}|}{\prod_{i=1}^{q}|(f,\tilde{a}_{i})|}\biggl{)}\eta$ $\displaystyle\leq\sum_{i=1}^{q}\int_{S(r)}\log^{+}\biggl{(}\dfrac{|\det D_{i}|}{\prod_{j=1,j\neq i}^{q}|(f,\tilde{a}_{j})|}\biggl{)}\eta+\int_{S(r)}\log^{+}\Psi(z)\eta$ $\displaystyle=\sum_{i=1}^{q}m\biggl{(}r,\dfrac{\det D_{i}}{\prod_{j=1,j\neq i}^{q}(f,\tilde{a}_{j})}\biggl{)}+O(\max_{1\leq i\leq q}T_{a_{i}}(r))$ $\displaystyle=O(\log^{+}T_{f}(r))+O(\max_{0\leq i\leq q-1}T_{a_{i}}(r)).$ Hence $||\ \ T_{f}(r)+\int\limits_{S(r)}\text{log}\dfrac{|\det D_{1}|}{\prod_{i=1}^{q}|(f,\tilde{a}_{i})|}\eta=O(\log^{+}T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)),\ \text{i.e, }$ $\displaystyle||\ T_{f}(r)$ $\displaystyle=\int\limits_{S(r)}\text{log}\dfrac{\prod_{i=1}^{q}|(f,\tilde{a}_{i})|}{|\det D_{1}|}\eta+O(\log^{+}T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r))$ $\displaystyle=\int\limits_{S(r)}\text{log}\prod_{i=1}^{q}|(f,\tilde{a}_{i})|\eta-\int\limits_{S(r)}\text{log}|\det D_{1}|\eta+O(\log^{+}T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r))$ (3.4) $\displaystyle\leq N_{\prod_{i=1}^{q}(f,\tilde{a}_{i})}(r)-N(r,\nu_{\det D_{1}})+O(\log^{+}T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)).$ ###### Claim 3.5. $||\ N_{\prod_{i=1}^{q}(f,\tilde{a}_{i})}(r)-N(r,\nu_{\det D_{1}})\leq\sum_{i=1}^{q}N^{[k]}_{(f,a_{i})}(r)+O(\max_{1\leq i\leq q}T_{a_{i}}(r)).$ Indeed, fix $z\in{\mathbf{C}}^{m}\setminus I(f)$, where $I(f)=\\{f_{0}=\cdots f_{n}=0\\}$. We call $i_{0}$ the index satisfying $\nu^{0}_{(f,\tilde{a}_{i_{0}})}(z)=\min_{1\leq i\leq n+1}\nu^{0}_{(f,\tilde{a}_{i})}(z).$ For each $i\neq i_{0},i\in I_{s}$, we have $\displaystyle\nu^{0}_{\mathcal{D}^{\alpha_{sk_{s-1}+j}}(c_{si}(f,\tilde{a}_{i}))}(z)$ $\displaystyle\geq\min_{\beta\in\mathbf{Z}_{+}^{m}\text{ with }\alpha_{sk_{s-1}+j}-\beta\in\mathbf{Z}_{+}^{m}}\\{\nu^{0}_{\mathcal{D}^{\beta}c_{si}\mathcal{D}^{\alpha_{st_{s-1}+j}-\beta}(f,\tilde{a}_{i})}(z)\\}$ $\displaystyle\geq\min_{\beta\in\mathbf{Z}_{+}^{n}\text{ with }\alpha_{sk_{s-1}+j}-\beta\in\mathbf{Z}_{+}^{n}}\bigl{\\{}\max\\{0,\nu^{0}_{(f,\tilde{a}_{i})}(z)-|\alpha_{sk_{s-1}+j}-\beta|\\}$ $\displaystyle\hskip 90.0pt-(\beta+1)\nu^{\infty}_{c_{si}}(z)\bigl{\\}}$ $\displaystyle\geq\max\\{0,\nu_{(f\tilde{a}_{i})}^{0}(z)-k\\}-(k+1)\nu_{c_{si}}^{\infty}(z)$ On the other hand, we also have $\displaystyle\nu^{\infty}_{\mathcal{D}^{\alpha_{sk_{s-1}+j}}(c_{si}(f,\tilde{a}_{i}))}(z)\leq(|\alpha_{sk_{s-1}+j}|+1)\nu^{\infty}_{c_{si}(f,\tilde{a}_{i})}(z)\leq(k+1)(\nu^{\infty}_{c_{si}}(z)+\nu^{0}_{a_{i0}}(z)).$ Thus $\nu_{\mathcal{D}^{\alpha_{sk_{s-1}+j}}(c_{si}(f,\tilde{a}_{i}))}(z)\geq\max\\{0,\nu_{(f\tilde{a}_{i})}^{0}(z)-k\\}-(k+1)\bigl{(}2\nu_{c_{si}}^{\infty}(z)+\nu^{0}_{a_{i0}}(z)\bigl{)}$ Since each element of the matrix $D_{i_{0}}$ has a form $\mathcal{D}^{\alpha_{sk_{s-1}+j}}(c_{si}(f,\tilde{a}_{i}))\ (i\neq i_{0})$, one estimates (3.6) $\displaystyle\nu_{D_{1}}(z)=\nu_{D_{i_{0}}}(z)\geq\sum_{i\neq i_{0}}\left(\max\\{0,\nu_{(f\tilde{a}_{i})}^{0}(z)-k\\}-(k+1)\bigl{(}2\nu_{c_{si}}^{\infty}(z)+\nu^{0}_{a_{i0}}(z)\bigl{)}\right).$ We see that there exists $v_{0}\in\\{0,\ldots,n\\}$ with $f_{v_{0}}(z)\neq 0$. Then by (3.2), there exists $i_{1}\in\\{1,\ldots,n+1\\}$ such that $A_{v_{0}i_{1}}(z)\cdot(f,\tilde{a}_{i_{1}})(z)\neq 0$. Thus (3.7) $\displaystyle\nu^{0}_{(f,\tilde{a}_{i_{0}})}(z)\leq\nu^{0}_{(f,\tilde{a}_{i_{1}})}(z)\leq\nu^{\infty}_{A_{v_{0}i_{1}}}(z)\leq\sum_{A_{vi}\not\equiv 0}\nu^{\infty}_{A_{vi}}(z).$ Combining the inequalities (3.6) and (3.7), we have $\displaystyle\nu^{0}_{\prod_{i=1}^{q}(f,\tilde{a}_{i})}(z)$ $\displaystyle-\nu_{\det D_{1}}(z)$ $\displaystyle\leq\sum_{i\neq i_{0}}\left(\min\\{\nu_{(f,\tilde{a}_{i})}^{0}(z),k\\}+(k+1)\bigl{(}2\nu_{c_{si}}^{\infty}(z)+\nu^{0}_{a_{i0}}(z)\bigl{)}\right)+\sum_{A_{vi}\not\equiv 0}\nu^{\infty}_{A_{vi}}(z)$ $\displaystyle\leq\sum_{i=1}^{q}\left(\min\\{\nu_{(f,\tilde{a}_{i})}^{0}(z),k\\}+(k+1)\bigl{(}2\nu_{c_{si}}^{\infty}(z)+\nu^{0}_{a_{i0}}(z)\bigl{)}\right)+\sum_{A_{vi}\not\equiv 0}\nu^{\infty}_{A_{vi}}(z),$ where the index $s$ of $c_{si}$ is taken so that $i\in I_{s}$. Integrating both sides of this inequality, we obtain $\displaystyle||\ \ N_{\prod_{i=1}^{q}(f,\tilde{a}_{i})}(r)$ $\displaystyle-N(r,\nu_{\det D_{1}})$ $\displaystyle\leq\sum_{i=1}^{q}\left(N^{[k]}_{(f,\tilde{a}_{i})}(r)+(k+1)\biggl{(}2N_{\frac{1}{c_{si}}}(r)+N_{a_{i0}}(r)\biggl{)}\right)+\sum_{A_{vi}\not\equiv 0}N_{{1}/{A_{vi}}}(r)$ (3.8) $\displaystyle=\sum_{i=1}^{q}N^{[k]}_{(f,a_{i})}(r)+O(\max_{1\leq i\leq q}T_{a_{i}}(r)).$ The claim is proved. From the inequalities (3.4) and the claim, we get $||\ \ T_{f}(r)\leq\sum_{i=1}^{q}N^{[k]}_{(f,a_{i})}(r)+O(\log^{+}T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)).$ The lemma is proved. $\square$ Proof of Theorem 1.1. (a). We denote by $\mathcal{I}$ the set of all permutations of $q-$tuple $(1,\ldots,q)$. For each element $I=(i_{1},\ldots,i_{q})\in\mathcal{I}$, we set $N_{I}=\\{r\in{\mathbf{R}}^{+};N^{[k]}_{(f,a_{i_{1}})}(r)\leq\cdots\leq N^{[k]}_{(f,a_{i_{q}})}(r)\\}.$ We now consider an element $I=(i_{1},\ldots,i_{q})$ of $\mathcal{I}$. We will construct subsets $I_{t}$ of the set $A_{1}=\\{1,\ldots,{2n-k+2}\\}$ as follows. We choose a subset $I_{1}$ of $A$ which is the minimal subset of $A$ satisfying that $\\{(f,\tilde{a}_{i_{j}})\\}_{j\in I_{1}}$ is minimal over $\mathcal{R}$. If $\sharp I_{1}\geq n+1$ then we stop the process. Otherwise, set $A_{2}=A_{1}\setminus I_{1}$. We consider the following two cases: * • Case 1. Suppose that $\sharp A_{2}\geq n+1$. Since $\\{\tilde{a}_{i_{j}}\\}_{j\in A_{2}}$ is in general position, we have $\left((f,\tilde{a}_{i_{j}});j\in A_{2}\right)_{\mathcal{R}}=\left(f_{0},\ldots,f_{n}\right)_{\mathcal{R}}\supset\left((f,\tilde{a}_{i_{j}});j\in I_{1}\right)_{\mathcal{R}}\not\equiv 0.$ * • Case 2. Suppose that $\sharp A_{2}<n+1$. Then we have the following: $\displaystyle\dim_{\mathcal{R}}\left((f,\tilde{a}_{i_{j}});j\in I_{1}\right)_{\mathcal{R}}\geq k+1-(n+1-\sharp I_{1})=k-n+\sharp I_{1},$ $\displaystyle\dim_{\mathcal{R}}\left((f,\tilde{a}_{i_{j}});j\in A_{2}\right)_{\mathcal{R}}\geq k+1-(n+1-\sharp A_{2})=k-n+\sharp A_{2}.$ We note that $\sharp I_{1}+\sharp A_{2}=2n-k+2$. Hence the above inequalities imply that $\displaystyle\dim_{\mathcal{R}}$ $\displaystyle\biggl{(}\bigl{(}(f,\tilde{a}_{i_{j}});j\in I_{1}\bigl{)}_{\mathcal{R}}\cap\bigl{(}(f,\tilde{a}_{i_{j}});j\in A_{2}\bigl{)}_{\mathcal{R}}\biggl{)}$ $\displaystyle\geq\dim_{\mathcal{R}}\left((f,\tilde{a}_{i_{j}});j\in I_{1}\right)_{\mathcal{R}}+\dim_{\mathcal{R}}\left((f,\tilde{a}_{i_{j}});j\in A_{2}\right)_{\mathcal{R}}-(k+1)$ $\displaystyle=k-n+\sharp I_{1}+k-n+\sharp A_{2}-(k+1)=1.$ Therefore, from the above two case, we see that $\bigl{(}(f,\tilde{a}_{i_{j}});j\in I_{1}\bigl{)}_{\mathcal{R}}\cap\bigl{(}(f,\tilde{a}_{i_{j}});j\in A_{2}\bigl{)}_{\mathcal{R}}\neq\\{0\\}.$ Therefore, we may chose a subset $I_{2}\subset A_{2}$ which is the minimal subset of $A_{2}$ satisfying that there exist nonzero meromorphic functions $c_{i}\in\mathcal{R}\ (i\in I_{2})$, $\sum_{i\in I_{2}}c_{i}(f,\tilde{a}_{i})\in\biggl{(}\bigcup_{i\in I_{1}}(f,\tilde{a}_{i})\biggl{)}_{\mathcal{R}}.$ By the minimality of the set $I_{2}$, the family $\\{(f,\tilde{a}_{i_{j}})\\}_{j\in I_{2}}$ is linearly independent over $\mathcal{R}$, and hence $\sharp I_{2}\leq k+1$ and $\sharp(I_{2}\cup I_{2})\leq\min\\{2n-k+2,n+k+1\\}.$ If $\sharp(I_{2}\cup I_{2})\geq n+1$ then we stop the process. Otherwise, by repeating the above argument, we have a subset $I_{3}$ of $A_{3}=A_{1}\setminus(I_{1}\cup I_{2})$, which satisfies the following: * • there exist nonzero meromorphic functions $c_{i}\in\mathcal{R}\ (i\in I_{3})$ so that $\sum_{i\in I_{3}}c_{i}(f,\tilde{a}_{i})\in\biggl{(}\bigcup_{i\in I_{1}\cup I_{2}}(f,\tilde{a}_{i})\biggl{)}_{\mathcal{R}},$ * • $\\{(f,\tilde{a}_{i_{j}})\\}_{j\in I_{3}}$ is linearly independent over $\mathcal{R}$, * • $\sharp I_{3}\leq k+1$ and $\sharp(I_{1}\cup\cdots\cup I_{3})\leq\min\\{2n-k+2,n+k+1\\}$. Continuing this process, we get the subsets $I_{1},\ldots,I_{l}$, which satisfy: * • $\\{(f,\tilde{a}_{i_{j}})\\}_{j\in I_{1}}$ is minimal over $\mathcal{R}$, $\\{(f,\tilde{a}_{i_{j}})\\}_{j\in I_{t}}$ is linearly independent over $\mathcal{R}\ (2\leq t\leq l),$ * • for any $2\leq t\leq l,j\in I_{t},$ there exist meromorphic functions $c_{j}\in\mathcal{R}\setminus\\{0\\}$ such that $\sum_{j\in I_{t}}c_{j}(f,\tilde{a}_{i_{j}})\in\biggl{(}\bigcup_{s=1}^{t-1}\bigcup_{j\in I_{s}}(f,\tilde{a}_{i_{j}})\biggl{)}_{\mathcal{R}},$ * • $n+1\leq\sharp(I_{1}\cup\cdots\cup I_{l})\leq\min\\{2n-k+2,n+k+1\\}$. Then the family of subsets $I_{1},\ldots,I_{t}$ satisfies the assumptions of the Lemma 3.1. Therefore, we have $\displaystyle||\ T_{f}(r)\leq\sum_{j\in J}N^{[k]}_{(f,a_{i_{j}})}+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)),$ where $J=I_{1}\cup\cdots\cup I_{l}$. Then for all $r\in N_{I}$ (may be outside a finite Borel measure subset of ${\mathbf{R}}^{+}$) we have $\displaystyle||\ T_{f}(r)$ $\displaystyle\leq\dfrac{\sharp J}{q-(2n-k+2)+\sharp J}\biggl{(}\sum_{j\in J}N^{[k]}_{(f,a_{i_{j}})}(r)+\sum_{j=2n-k+3}^{q}N^{[k]}_{(f,a_{i_{j}})}(r)\biggl{)}$ (3.9) $\displaystyle+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)).$ Since $\sharp J\leq 2n-k+2$, the above inequality implies that (3.10) $\displaystyle||\ T_{f}(r)\leq\dfrac{2n-k+2}{q}\sum_{i=1}^{q}N^{[k]}_{(f,a_{i})}(r)+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)),\quad r\in N_{I}.$ We see that $\bigcup_{I\in\mathcal{I}}N_{I}={\mathbf{R}}^{+}$ and the inequality (3.10) holds for every $r\in N_{I},I\in\mathcal{I}$. This yields that $T_{f}(r)\leq\dfrac{2n-k+2}{q}\sum_{i=1}^{q}N^{[k]}_{(f,a_{i})}(r)+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r))$ for all $r$ outside a finite Borel measure subset of ${\mathbf{R}}^{+}$. Thus $||\ \dfrac{q}{2n-k+2}T_{f}(r)\leq\sum_{i=1}^{q}N^{[k]}_{(f,a_{i})}(r)+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r)).$ The assertion (a) is proved. (b) We repeat the same argument as in the proof of the assertion (a). If $n+k+1>2n-k+1$ then the assertion (b) is a consequence of the assertion (a). Then we now only consider the case where $n+k+1\leq 2n-k+1$. From (3.9) with a note that $\sharp J\leq n+k+2$, we have $\displaystyle||\ T_{f}(r)$ $\displaystyle\leq\dfrac{n+k+1}{q-(2n-k+2)+n+k+1)}\sum_{i=1}^{q}N^{[k]}_{(f,a_{i})}(r)+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r))$ $\displaystyle=\dfrac{n+k+1}{q-n+2k-1}\sum_{i=1}^{q}N^{[k]}_{(f,a_{i})}(r)+o(T_{f}(r))+O(\max_{1\leq i\leq q}T_{a_{i}}(r))\ r\in N_{I}.$ Repeating again the argument in the proof of assertion (a), we see that the above inequality holds for all $r\in{\mathbf{R}}^{+}$ outside a finite Borel measure set. Then the assertion (b) is proved. $\square$ ## 4\. Proof of Theorem 1.3 In order to prove Theorem 1.3, we need the following. 4.1. Let $f:{\mathbf{C}}^{m}\to{\mathbf{P}}^{n}({\mathbf{C}})$ be a meromorphic mapping with a reduced representation $f=(f_{0}:\ldots:f_{n})$. Let $\\{a_{i}\\}_{i=1}^{q}$ be “slowly” (with respect to $f$) moving hyperplanes of ${\mathbf{P}}^{n}({\mathbf{C}})$ in general position such that $\dim\\{z\in{\mathbf{C}}^{m}:(f,a_{i})(z)=(f,a_{j})(z)=0\\}\leq m-2\quad(1\leq i<j\leq q).$ For $M+1$ elements $f^{0},\ldots,f^{M}\in\mathcal{F}(f,\\{a_{j}\\}_{j=1}^{q},1)$, we put $T(r)=\sum_{k=0}^{M}T(r,f^{k}).$ Assume that $a_{i}$ has a reduced representation $a_{i}=(a_{i0}:\cdots:a_{in}).$ By changing the homogeneous coordinate system of ${\mathbf{P}}^{n}({\mathbf{C}}),$ we may assume that $a_{i0}\not\equiv 0\ (1\leq i\leq q).$ We set $\ F^{jk}_{i}:=\dfrac{(f^{k},a_{j})}{(f^{k},a_{i})}\quad(1\leq i,j\leq q,\ 0\leq k\leq M).$ ###### Lemma 4.1. Suppose that $q\geq 2n+1$. Then $||\ T_{g}(r)=O(T_{f}(r))\text{ for each }g\in\mathcal{F}(f,\\{a_{i}\\}_{i=1}^{q},1).$ Proof. By Corollary 1.2(a), we have $\displaystyle\parallel\ \dfrac{2q-n+1}{3(n+1)}T_{g}(r)$ $\displaystyle\leq\sum_{i=1}^{q}N_{(g,a_{i})}^{[n]}(r)+o(T_{g}(r)+T_{f}(r))$ $\displaystyle\leq n\sum_{i=1}^{q}N_{(g,a_{i})}^{[1]}(r)+o(T_{g}(r)+T_{f}(r))$ $\displaystyle=\sum_{i=1}^{q}nN_{(f,a_{i})}^{[1]}(r)+o(T_{g}(r)+T_{f}(r))$ $\displaystyle\leq qnT_{f}(r)+o(T_{g}(r)+T_{f}(r)).$ Hence $||\quad T_{g}(r)=O(T_{f}(r)).$ $\square$ ###### Definition 4.2 (see [2, p. 138]). Let $F_{0},\ldots,F_{M}$ be nonzero meromorphic functions on ${\mathbf{C}}^{m}$, where $M\geq 1$. Take a set $\alpha:=(\alpha^{0},\ldots,\alpha^{M-1})$ whose components $\alpha^{k}$ are composed of $m$ nonnegative integers, and set $|\alpha|=|\alpha^{0}|+\ldots+|\alpha^{M-1}|.$ We define Cartan’s auxiliary function by $\Phi^{\alpha}\equiv\Phi^{\alpha}(F_{0},\ldots,F_{M}):=F_{0}F_{1}\cdots F_{M}\left|\begin{array}[]{cccc}1&1&\cdots&1\\\ \mathcal{D}^{\alpha^{0}}(\frac{1}{F_{0}})&\mathcal{D}^{\alpha^{0}}(\frac{1}{F_{1}})&\cdots&\mathcal{D}^{\alpha^{0}}(\frac{1}{F_{M}})\\\ \vdots&\vdots&\vdots&\vdots\\\ \mathcal{D}^{\alpha^{M-1}}(\frac{1}{F_{0}})&\mathcal{D}^{\alpha^{M-1}}(\frac{1}{F_{1}})&\cdots&\mathcal{D}^{\alpha^{M-1}}(\frac{1}{F_{M}})\\\ \end{array}\right|$ ###### Lemma 4.3 (see [2, Proposition 3.4]). If $\Phi^{\alpha}(F,G,H)=0$ and $\Phi^{\alpha}(\frac{1}{F},\frac{1}{G},\frac{1}{H})=0$ for all $\alpha$ with $|\alpha|\leq 1$, then one of the following assertions holds : (i) $F=G,G=H$ or $H=F$ (ii) $\frac{F}{G},\frac{G}{H}$ and $\frac{H}{F}$ are all constant. ###### Lemma 4.4 (see [6, Lemma 4.7]). Suppose that there exists $\Phi^{\alpha}=\Phi^{\alpha}(F_{i_{0}}^{j_{0}0},\ldots,F_{i_{0}}^{j_{0}M})\not\equiv 0$ with $1\leq i_{0},j_{0}\leq q,\ |\alpha|\leq\dfrac{M(M-1)}{2},\ d\geq|\alpha|.$ Assume that $\alpha$ is a minimal element such that $\Phi^{\alpha}(F_{i_{0}}^{j_{0}0},\ldots,F_{i_{0}}^{j_{0}M})\not\equiv 0$. Then, for each $0\leq k\leq M$, the following holds: $\parallel N_{(f^{k},a_{j_{0}})}^{[d-|\alpha|]}(r)+M\sum_{j\neq{j_{0},i_{0}}}N_{(f^{k},a_{j})}^{[1]}(r)\leq N_{\Phi^{\alpha}}(r)\leq T(r)-M\cdot N^{[1]}_{(f^{k},a_{i_{0}})}(r)+o(T(r)).$ And hence $||\quad N_{(f^{k},a_{j_{0}})}^{[d-|\alpha|]}(r)+M\sum_{j\neq{j_{0}}}N_{(f^{k},a_{j})}^{[1]}(r)\leq T(r)+o(T(r)).$ 4.2. Proof of Theorem 1.3 a) Assume that $q>\frac{9n^{2}+9n+2}{2}$. Suppose that there exist three distinct elements $f^{0},f^{1},f^{2}\in\mathcal{F}(f,\\{a_{j}\\}_{j=1}^{q},1).$ Suppose that there exist two indices $i,j\in\\{1,\ldots,q\\}$ and $\alpha=(\alpha_{0},\alpha_{1})\in(\mathbf{Z}_{+}^{n})^{2}$ with $|\alpha|\leq 1$ such that $\Phi^{\alpha}(F_{j}^{i0},F_{j}^{i1},F_{j}^{i2})\not\equiv 0$. By Lemma 4.4, we have $2\sum_{t\neq i}N_{(f^{0},a_{t})}^{[1]}(r)\leq T(r)+o(T_{f}(r)).$ Hence, by Corollary 1.2(b) we have $\displaystyle\parallel T(r)$ $\displaystyle\geq\dfrac{2}{3}\sum_{k=1}^{3}\sum_{t\neq i}N_{(f^{k},a_{t})}^{[1]}(r)+o(T_{f}(r))\geq\dfrac{2}{3n}\sum_{k=1}^{3}\sum_{t\neq i}N_{(f^{k},a_{t})}^{[n]}(r)+o(T_{f}(r))$ $\displaystyle\geq\dfrac{4(q-1)}{9n(n+1)}T(r)+o(T_{f}(r)).$ Letting $r\longrightarrow+\infty$, we get $1\geq\frac{4(q-1)}{9n(n+1)}$, i.e., $q\leq\frac{9n^{2}+9n+4}{4}$. This is a contradiction. Then for two indices $i,j$ $(1\leq i<j\leq q)$, we have $\Phi^{\alpha}(F_{j}^{i0},F_{j}^{i1},F_{j}^{i2})\equiv 0\text{ and }\Phi^{\alpha}(F_{i}^{j0},F_{i}^{j1},F_{i}^{j2})\equiv 0$ for all $\alpha=(\alpha_{0},\alpha_{1})\ \text{ with }|\alpha|\leq 1.$ By Lemma 4.3, there exists a constant $\lambda$ such that $F_{j}^{i0}=\lambda F_{j}^{i1},F_{j}^{i1}=\lambda F_{j}^{i2},\text{ or }F_{j}^{i2}=\lambda F_{j}^{i0}.$ For instance, we assume that $F_{j}^{i0}=\lambda F_{j}^{i1}$. We will show that $\lambda=1.$ Indeed, assume that $\lambda\neq 1$. Since $F_{j}^{i0}=F_{j}^{i1}$ on the set $\bigcup_{k\neq j}\\{z:(f,a_{k})(z)=0\\},$ we have that $F_{j}^{i0}=F_{j}^{i1}=0$ on the set $\bigcup_{k\neq j}\\{z:(f,a_{k})(z)=0\\}.$ Hence $\bigcup_{k\neq j}\\{z:(f,a_{k})(z)=0\\}\subset\\{z:(f,a_{i})(z)=0\\}.$ It follows that $\\{z:(f,a_{k})(z)=0\\}=\emptyset\ (k\neq i,j).$ We obtain that $\parallel\dfrac{2(q-2)}{3(n+1)}T_{f}(r)\leq\sum_{k\neq i,k\neq j}N_{(f,a_{k})}^{[n]}(r)+o(T_{f}(r))=o(T_{f}(r)).$ This is a contradiction. Thus $\lambda=1\ (1\leq i<j\leq q).$ Define $I_{1}=\\{i\in\\{1,\ldots,q-1\\}:F_{q}^{i0}=F_{q}^{i1}\\},$ $I_{2}=\\{i\in\\{1,\ldots,q-1\\}:F_{q}^{i1}=F_{q}^{i2}\\},$ $I_{3}=\\{i\in\\{1,\ldots,q-1\\}:F_{q}^{i2}=F_{q}^{i0}\\}.$ Since $\sharp(I_{1}\cup I_{2}\cup I_{3})=\sharp\\{1,\ldots,q-1\\}=q-1\geq 3n-2$, there exists $1\leq k\leq 3$ such that $\sharp\ I_{k}\geq n$. Without loss of generality, we may assume that $\sharp\ I_{1}\geq n$. This implies that $f^{0}=f^{1}$. This is a contradiction. Thus, we have $\sharp\ \mathcal{F}(f,\\{a_{i}\\}_{i=1}^{q},1)\leq 2.$ b) Assume that $q>3n^{2}+n+2$. Take $g\in\mathcal{F}(f,\\{a_{i}\\}_{i=1}^{q},1).$ Suppose that $f\neq g.$ By changing indices if necessary, we may assume that $\underbrace{\dfrac{(f,a_{1})}{(g,a_{1})}\equiv\dfrac{(f,a_{2})}{(g,a_{2})}\equiv\cdots\equiv\dfrac{(f,a_{k_{1}})}{(g,a_{k_{1}})}}_{\text{ group }1}\not\equiv\underbrace{\dfrac{(f,a_{k_{1}+1})}{(g,a_{k_{1}+1})}\equiv\cdots\equiv\dfrac{(f,a_{k_{2}})}{(g,a_{k_{2}})}}_{\text{ group }2}$ $\not\equiv\underbrace{\dfrac{(f,a_{k_{2}+1})}{(g,a_{k_{2}+1})}\equiv\cdots\equiv\dfrac{(f,a_{k_{3}})}{(g,a_{k_{3}})}}_{\text{ group }3}\not\equiv\cdots\not\equiv\underbrace{\dfrac{(f,a_{k_{s-1}+1})}{(g,a_{k_{s-1}+1})}\equiv\cdots\equiv\dfrac{(f,a_{k_{s}})}{(g,a_{k_{s}})}}_{\text{ group }s},$ where $k_{s}=q.$ For each $1\leq i\leq q,$ we set $\sigma(i)=\begin{cases}i+n&\text{ if $i+n\leq q$},\\\ i+n-q&\text{ if $i+n>q$}\end{cases}$ and $P_{i}=(f,a_{i})(g,a_{\sigma(i)})-(g,a_{i})(f,a_{\sigma(i)}).$ By supposition that $f\neq g$, the number of elements of each group is at most $n$. Hence $\dfrac{(f,a_{i})}{(g,a_{i})}$ and $\dfrac{(f,a_{\sigma(i)})}{(g,a_{\sigma(i)})}$ belong to distinct groups. This means that $P_{i}\not\equiv 0\ (1\leq i\leq q)$. Fix an index $i$ with $1\leq i\leq q.$ It is easy to see that $\displaystyle\nu_{P_{i}}(z)\geq\min\\{\nu_{(f,a_{i})},\nu_{(g,a_{i})}\\}+\min\\{\nu_{(f,a_{\sigma(i)})},\nu_{(g,a_{\sigma(i)})}\\}+\sum_{{\mathrel{\mathop{{v=1}}\limits_{{v\neq i,\sigma(i)}}}}}^{q}\nu_{(f,a_{v})}^{[1]}(z)$ outside a finite union of analytic sets of dimension $\leq m-2.$ Since $\min\\{a,b\\}+n\geq\min\\{a,n\\}+\min\\{b,n\\}$ for all positive integers $a$ and $b$, the above inequality implies that $\displaystyle N_{P_{i}}(r)\geq\sum_{v=i,\sigma(i)}\left(N^{[n]}_{(f,a_{v})}(r)+N^{[n]}_{(g,a_{v})}(r)-nN^{[1]}_{(f,a_{v})}(r)\right)+\sum_{{\mathrel{\mathop{{v=1}}\limits_{{v\neq i,\sigma(i)}}}}}^{q}N^{[1]}_{(f,a_{v})}(r).$ On the other hand, by the Jensen formula, we have $\displaystyle N_{P_{i}}(r)=$ $\displaystyle\int_{S(r)}\log|P_{i}|\eta+O(1)$ $\displaystyle\leq$ $\displaystyle\int_{S(r)}\log(|(f,a_{i})|^{2}+|(f,a_{\sigma(i)}|^{2})^{\frac{1}{2}}\eta+\int_{S(r)}\log(|(g,a_{i})|^{2}+|(g,a_{\sigma(i)}|^{2})^{\frac{1}{2}}\eta+O(1)$ $\displaystyle\leq$ $\displaystyle T_{f}(r)+T_{g}(r)+o(T_{f}(r)).$ This implies that $\displaystyle T_{f}(r)+T_{g}(r)\geq$ $\displaystyle\sum_{v=i,\sigma(i)}\left(N^{[n]}_{(f,a_{v})}(r)+N^{[n]}_{(g,a_{v})}(r)-nN^{[1]}_{(f,a_{v})}(r)\right)$ $\displaystyle+$ $\displaystyle\sum_{{\mathrel{\mathop{{v=1}}\limits_{{v\neq i,\sigma(i)}}}}}^{q}N^{[1]}_{(f,a_{v})}(r)+o(T_{f}(r)).$ Summing-up both sides of the above inequality over $i=1,\ldots,q$ and by Corollary 1.2(b), we have $\displaystyle q(T_{f}(r)+T_{g}(r))\geq$ $\displaystyle 2\sum_{v=i}^{q}\left(N^{[n]}_{(f,a_{v})}(r)+N^{[n]}_{(g,a_{v})}(r)\right)$ $\displaystyle+(q-2n-2)\sum_{v=1}^{q}N^{[1]}_{(f,a_{v})}(r)+o(T_{f}(r))$ $\displaystyle\geq$ $\displaystyle(2+\frac{q-2n-2}{2n})\sum_{v=i}^{q}\left(N^{[n]}_{(f,a_{v})}(r)+N^{[n]}_{(g,a_{v})}(r)\right)+o(T_{f}(r))$ $\displaystyle\geq$ $\displaystyle(2+\frac{q-2n+2}{2n})\dfrac{2q}{3(n+1)}(T_{f}(r)+T_{g}(r))+o(T_{f}(r)).$ Letting $r\to\infty$, we get $q\geq(2+\frac{q-2n-2}{2n})\dfrac{2q}{3(n+1)}\Leftrightarrow q\leq 3n^{2}+n+2.$ This is a contradiction. Then $f=g$. This implies that $\sharp\mathcal{F}(f,\\{a_{i}\\}_{i=1}^{q},1)=1$. The theorem is proved. $\square$ ## References * [1] H. Fujimoto, Non-integrated defect relation for meromorphic maps of complete Kähler manifolds into ${\mathbf{P}}^{N_{1}}({\mathbf{C}})\times\ldots\times{\mathbf{P}}^{N_{k}}({\mathbf{C}}),$ Japanese J. Math. 11 (1985), 233-264. * [2] H. Fujimoto, Uniqueness problem with truncated multiplicities in value distribution theory, Nagoya Math. J. 152 (1998), 131-152. * [3] J. Noguchi and T. Ochiai, Introduction to Geometric Function Theory in Several Complex Variables, Trans. Math. Monogr. 80, Amer. Math. Soc., Providence, Rhode Island, 1990. * [4] M. Ru, A uniqueness theorem with moving targets without counting multiplicity, Proc. Amer. Math. Soc. 129 (2001), 2701-2707. * [5] M. Ru and J. T-Y. Wang, Truncated second main theorem with moving targets, Trans. Amer. Math. Soc. 356 (2004), 557-571. * [6] D. D. Thai and S. D. Quang, Uniqueness problem with truncated multiplicities of meromorphic mappings in several complex variables for moving targets, Internat. J. Math., 16 (2005), 903-939. * [7] D. D. Thai and S. D. Quang, Second main theorem with truncated counting function in several complex variables for moving targets, Forum Mathematicum 20 (2008), 145-179. * [8] B. Shiffman, Introduction to the Carlson - Griffiths equidistribution theory, Lecture Notes in Math. 981 (1983), 44-89.
arxiv-papers
2014-02-13T14:49:02
2024-09-04T02:49:58.198233
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Si Duc Quang", "submitter": "Duc Quang Si", "url": "https://arxiv.org/abs/1402.3156" }
1402.3218
# . , . , . , . . . . , . . , . . . Annotation. The paper explores connection between the order and the type of an entire function and the speed of the best polynomial approximation in the unit disk. The relations which define the order and the type of an entire function through the sequence of its best approximations, have been found. The results were obtained by generalization previous results of Reddy, I.I. Ibragimov and N. I. Shyhaliev, S. B. Vakarchyk, R. Mamadov. 2000 MSC. 41 10, 41 25, 41 58. . , , , . ## 1 $X$, $\mathbb{D}$ , $\|\cdot\|$ . , $\|\cdot\|$ $i)\quad\,\|f(\cdot e^{it})\|\,\equiv\|f(\cdot)\|\,$ (1) $t\in\mathbb{R}$ $f\in X;$ $ii)\quad\,\|f(\cdot)\|\,<\infty\,$ (2) ( . . $X$ ); $iii)\quad\,\|\frac{1}{2\pi}\int\limits_{0}^{2\pi}f(ze^{it})g(t)\,dt\|\leq\,\frac{1}{2\pi}\int\limits_{0}^{2\pi}|g(t)|\,dt\,\,\|f(\cdot)\|$ (3) $f\in X$ $g\in L[0;2\pi]$ ( , $f\in X$ $g\in L[0;2\pi]$ $\|f\ast g\|\leq\|f\|\,\|g\|_{L[0;2\pi]}$). , ( , i), ii) iii) ). . 1) $B$ , $\mathbb{D}$ $\overline{\mathbb{D}}$ $\|f\|=\max\limits_{z\in\overline{\mathbb{D}}}|f(z)|<\infty\,.$ 2) $H_{p}$ ($p\geq 1$) , $\mathbb{D}$ $\|f\|=\sup\limits_{0<r<1}M_{p}\,(f,r),\quad M_{p}\,(f,r):=\left(\frac{1}{2\pi}\int\limits_{0}^{2\pi}|f(re^{it})|^{p}\,dt\right)^{\frac{1}{p}}\;,\quad p\in[1;\infty);$ $\|f\|=\sup\limits_{z\in\mathbb{D}}|f(z)|\,,\,\quad p=\infty.$ 3) $H_{p}^{\prime}$ , $\mathbb{D}$ $p\in[1;\infty)$ $\|f\|=\left(\frac{1}{\pi}\int\limits_{\;\;z\in D}\int|f(x+iy)|^{p}\;dxdy\right)^{\frac{1}{p}}\;,$ ( ) $H_{p,\,\rho}^{\prime}$ , $\mathbb{D}$ $p\in[1;\infty)$ $\|f\|=\left(\frac{1}{\pi}\int\limits_{\;\;z\in D}\int|f(x+iy)|^{p}\;\rho(|z|)dxdy\right)^{\frac{1}{p}}\;$ $\rho(|z|)$. 4) $A_{p},\quad p\in(0;1)\;$ , $\mathbb{D}$ $\|f\|=\int\limits_{0}^{1}(1-r)^{\frac{1}{p}-2}M_{1}\,(f,r)\,dr\,,$ [1] , [2]. 5) $\mathcal{B}_{p,\,q,\,\lambda}\,,\quad 0<p<q\leq\infty,\quad\lambda>0,\;$ , $\mathbb{D}$ $\|f\|=\left\\{\int\limits_{0}^{1}(1-r)^{\lambda\,p\;q\,(q-p)^{-1}}M_{q}^{\lambda}(f,r)\,dr\right\\}^{\frac{1}{\lambda}},\,\quad\lambda<\infty,$ $\|f\|=\sup\limits_{0<r<1}\left\\{(1-r)^{\,p\;q\,(q-p)^{-1}}M_{q}\,(f,r)\right\\}\,,\quad\lambda=\infty,$ [1] ( . [3]). 6) $H^{p,\,q,\,\alpha},\,(p,q\geq 1,\quad\,\alpha>0),$ , $\mathbb{D}$ $\|f\|=\left\\{\int\limits_{0}^{1}(1-r)^{q\alpha-1}M_{p}^{q}(f,r)\,dr\right\\}^{\frac{1}{q}}\,,\quad q<\infty,$ $\|f\|=\sup\limits_{0<r<1}\left\\{(1-r)^{\alpha}M_{p}\,(f,r)\right\\}\,,\quad q=\infty,$ [1]. , $H^{p,\,q,\,\alpha}$ $\mathcal{B}_{p,\,q,\,\lambda}\,$ . 7) $\quad BMOA$ [4], $f\in H_{1}$ $\|f\|=\sup\limits_{I}\int\limits_{I}|f(\zeta)-f_{I}|d\sigma(\zeta)\,,$ $f(\zeta)$ \- $f(z)$ , $f_{I}$ \- $f(\zeta)$ $I$. 8) $\mathcal{B}_{\alpha}\,$, $\alpha\in(0,\infty)$, , $D$ $\|f\|=|f(0)|+\sup\limits_{z\in D}(1-|z|^{2})^{\alpha}|f^{\prime}(z)|\,.$ $\mathcal{B}_{\alpha}\,$ [5], $\alpha=1$ $\mathcal{B}_{\alpha}$ $\mathcal{B}$. 9) . . [6] $\mathcal{A}_{p,q}^{s}(\mathbb{D})\,$ , . . $\mathcal{B}_{p,q}^{s}[-1;\;1]\,$. $f\in H_{p}$, $p\in[1;\infty]$ $\|f\|=\left\\{\int\limits_{0}^{1}\left(\frac{\omega_{m}(f,\,t)_{p}}{t^{s}}\right)^{q}\frac{dt}{t}\right\\}^{\frac{1}{q}}\,+\sup\limits_{0<r<1}M_{p}\,(f,r).$ $q\in[1;\infty],\,s>0,\,m>s$ \- , $\omega_{m}(f,\,t)_{p}$ \- $m$\- $L_{p}\,$ $f(e^{i\cdot})$, $f$. $q=\infty$ . 10) $\mathcal{D}_{p}(\alpha)\,$ , $\mathbb{D}$, $\|f(z)\|=\left(\sum\limits_{k=0}^{\infty}|c_{k}|^{p}\,\alpha_{k}\right)^{1/p}\,,$ $c_{k}=c_{k}(f)$ \- $f$, $p\geq 1$, ${\alpha}=\\{\alpha_{k}\\}$ - $\limsup\limits_{k\rightarrow\infty}\left(\alpha_{k}\right)^{\frac{1}{k}}<\infty,\quad\liminf\limits_{k\rightarrow\infty}\left(\alpha_{k}\right)^{\frac{1}{k}}\geq 1.$ , i), ii) iii) . $E_{n}(f)\equiv E_{n}(f,\,L_{n})\;$ $f\in X$ $L_{n}$: $E_{n}(f):=\inf\limits_{p\in L_{n}}\|f-p\,\|\;.$ $L_{n}$ $\mathcal{P}_{n}$ $(n-1)$, $p^{*}_{n}$ \- $(n-1)$ $f$, . . , $E_{n}(f)=\|f-p^{*}_{n}\|$. [7] , $E_{n}(f)$ $X=H_{2}^{\prime}$. 1976 . . . . . $X=H_{p}^{\prime}$ $p\geq 1$. [8] ( . [9]). ###### 1.1. , $f(z)\in H_{p}^{\prime}$, ($p\geq 1$, ) , , $\lim_{n{\rightarrow}\infty}(E_{n}(f))^{\frac{1}{n}}=0.$ (4) ###### 1.2. , $f(z)\in H_{p}^{\prime}$, ($p\geq 1$, ) $\rho$, , $\limsup\limits_{n\rightarrow\infty}\,\frac{n\ln n}{-\ln E_{n}(f)}=\rho.$ (5) ###### 1.3. , $f(z)\in H_{p}^{\prime}$, ($p\geq 1$, ) $\rho$ $\sigma$, , $\limsup\limits_{n\rightarrow\infty}\,n(E_{n}(f))^{\frac{\rho}{n}}=\sigma e\rho.$ (6) 1990 . [10, 11] . . $\mathcal{B}_{p,\,q,\,\lambda}$. . ( , 2009 ., [12]) $\rho(|z|)$. , , 1) $-$ 10). , . $X$ $p_{n}(z)$ ( , ; $(n-1)$ ${\mathcal{P}}_{n}[\mathbb{Z}]$ ). 5\. , . ## 2 . . ###### 2.1. $f\in X$. $\lim\limits_{n\rightarrow\infty}(E_{n}(f))^{\frac{1}{n}}=0$ (7) , $f$ . ###### 2.2. , $f\in X$ $\rho\in(0;\infty)$ , $\limsup\limits_{n\rightarrow\infty}\,\frac{n\ln n}{\ln\frac{\|z^{n}\|}{E_{n}(f)}}=\rho.$ (8) ###### 2.3. $\lim\limits_{n\rightarrow\propto}(\|z^{n}\|)^{\frac{1}{n}}=\mu$. , $f\in X$ $\rho\in(0;\infty)$ $\sigma\in(0;\infty)$ , $\limsup\limits_{n\rightarrow\infty}\,\frac{n}{e\rho}\left(\frac{E_{n}(f)}{\|z^{n}\|}\right)^{\frac{\rho}{n}}=\sigma.$ (9) ## 3 . i) ii) . , iii). ###### 3.1. iii) $B$; $H_{p}$ ($p\geq 1$); $H_{p,\,\rho}^{\prime}$ ($p\geq 1$); $A_{p},\quad(p\in(0;1))$; $H^{p,\,q,\,\alpha}\,,\quad(p,q\geq 1,\quad\alpha>0)$; $\quad BMOA$; $\mathcal{B}_{\alpha},\quad(\alpha\in(0;\infty))$; $\mathcal{A}_{p,q}^{s}(\mathbb{D})\,\,(p,q\in[1;\infty],\,s>0)$; $\mathcal{D}_{p}(\alpha)\,$ ($p\geq 1$). ###### Proof. $B$ $A_{p}$ iii) ; $H_{p}$, $H_{p,\,\rho}^{\prime}$ $p\geq 1$ iii) $L_{p}$. $\quad BMOA$ $\|\frac{1}{2\pi}\int\limits_{0}^{2\pi}f(ze^{it})g(t)\,dt\|=$ $=\sup\limits_{I}\int\limits_{I}\left|\frac{1}{2\pi}\int\limits_{0}^{2\pi}f(e^{i(t+\varphi)})g(t)dt-\frac{1}{|I|}\int\limits_{I}\left(\frac{1}{2\pi}\int\limits_{0}^{2\pi}f(e^{i(t+u)})g(t)dt\right)du\right|d\varphi=$ $=\sup\limits_{I}\int\limits_{I}\left|\frac{1}{2\pi}\int\limits_{0}^{2\pi}f(e^{i(t+\varphi)})g(t)\,dt-\frac{1}{2\pi}\int\limits_{0}^{2\pi}\left(\frac{1}{|I|}\int\limits_{I}f(e^{i(t+u)})g(t)du\right)dt\right|\,d\varphi=$ $=\sup\limits_{I}\int\limits_{I}\left|\frac{1}{2\pi}\int\limits_{0}^{2\pi}g(t)\left(f(e^{i(t+\varphi)})-\frac{1}{|I|}\int\limits_{I}f(e^{i(t+u)})du\right)dt\right|\,d\varphi\leq\frac{1}{2\pi}\int\limits_{0}^{2\pi}|g(t)|\,dt\,\,\|f(\cdot)\|$ i) $X.$ iii) $\mathcal{B}_{\alpha}$. $\|f\ast g\|=\left|\frac{1}{2\pi}\int\limits_{0}^{2\pi}f(0)g(t)\,dt\right|+\sup\limits_{z\in D}(1-|z|^{2})^{\alpha}\,\left|\frac{1}{2\pi}\int\limits_{0}^{2\pi}f^{\prime}(ze^{it})g(t)e^{it}\,dt\right|\,\leq$ $\leq|f(0)|\,\|g(t)\|_{L}\,+\sup\limits_{z\in D}\,\frac{1}{2\pi}\int\limits_{0}^{2\pi}(1-|z|^{2})^{\alpha}\,|f^{\prime}(ze^{it})g(t)e^{it}|\,dt\,\leq$ $\leq\|g(t)\|_{L}(|f(0)|+\sup\limits_{z\in D}\,(1-|z|^{2})^{\alpha}\,|f^{\prime}(ze^{it})|)=\|f\|\,\|g(t)\|_{L}.$ $f\in H^{p,\,q,\,\alpha}$, $g\in L_{[0;\;2\pi]},\quad z=re^{i\varphi}$. $H^{p,\,q,\,\alpha}$ $\|f\ast g\|=\left\\{\int\limits_{0}^{1}(1-r)^{q\alpha-1}\left(\frac{1}{2\pi}\int\limits_{0}^{2\pi}|\frac{1}{2\pi}\int\limits_{0}^{2\pi}f(re^{i(\varphi+t)})g(t)\,dt|^{p}d\varphi\right)^{\frac{q}{p}}\right\\}^{\frac{1}{q}}\leq$ $\leq\left\\{\int\limits_{0}^{1}(1-r)^{q\alpha-1}\left(\frac{1}{2\pi}\int\limits_{0}^{2\pi}\,dt\left(\frac{1}{2\pi}\int\limits_{0}^{2\pi}|f(re^{i(\varphi+t)})g(t)|^{p}d\varphi\right)^{\frac{1}{p}}\right)^{q}\right\\}^{\frac{1}{q}}=\|f\|\,\|g\|_{L}.$ , iii) $\mathcal{A}_{p,q}^{s}(\mathbb{D})\,$. $f\ast g\,\,\,(e^{i\varphi})=\frac{1}{2\pi}\int\limits_{0}^{2\pi}f(e^{i(\varphi+t)})g(t)\,dt,$ $m$\- $\Delta^{h}_{m}(\cdot,\,\varphi)$ $\Delta^{h}_{m}(f\ast g,\varphi)=\frac{1}{2\pi}\int\limits_{0}^{2\pi}\Delta^{h}_{m}(f(e^{i(\cdot\,\,+t)}),\varphi)\,g(t)\,dt$ , , $\omega_{m}(f\ast g,\,h)_{p}\leq\omega_{m}(f,\,h)_{p}\,\|g\|_{L}.$ iii) $H_{p}\,$ iii) $\mathcal{A}_{p,q}^{s}(\mathbb{D})\,$. iii) $\mathcal{D}_{p}(\alpha)\,$. $c_{k}$ \- $f\in\mathcal{D}_{p}(\alpha)$, $b_{k}$ \- $g$, $z\in\mathbb{D}$. $f\ast g(z)=\frac{1}{2\pi}\int\limits_{0}^{2\pi}f(ze^{it})g(t)\,dt=\sum\limits_{k=0}^{\infty}c_{k}b_{-k}z^{k}$ $\|f\ast g\|=\left(\sum\limits_{k=0}^{\infty}|c_{k}b_{-k}|^{p}\,\alpha_{k}\right)^{1/p}\,\leq\sup\limits_{k}|b_{k}|\left(\sum\limits_{k=0}^{\infty}|c_{k}|^{p}\,\alpha_{k}\right)^{1/p}\leq\|f\|\,\|g\|_{L}.$ ∎ , 2.3 $\|z^{n}\|$. , $\lim\limits_{n\rightarrow\infty}(\|z^{n}\|)^{\frac{1}{n}}=1$. $B$ $H_{p}$, ($p\geq 1$) $n\geq 0\quad$ $\|z^{n}\|=1$ , , 2.3 . $H_{p}^{\prime}\,$, ($p\geq 1$) $n\geq 0\quad$ $\|z^{n}\|=(np+2)^{\frac{-1}{p}}$ 2.3 , 2.1 \- 2.3 [8]. $\mathcal{B}_{p}$ $\,\,p\in(0;1)\;$ $\|z^{n}\|=(2\pi B(\frac{1}{p}-1,\,np+1))^{\frac{1}{p}}$, $B(\cdot,\,\cdot)$ \- \- . - , $\lim\limits_{n\rightarrow\infty}(\|z^{n}\|)^{\frac{1}{n}}=1$ $\mathcal{B}_{p}$ 2.3 . $\mathcal{B}_{p,\,q,\,\lambda}\,$ $\lambda<\infty\quad$ $\|z^{n}\|=B(\lambda n+1,\,\frac{\lambda pq}{q-p}+1)$ , , $\lim\limits_{n\rightarrow\infty}(\|z^{n}\|)^{\frac{1}{n}}=1$. $\lambda=\infty\quad$ $\|z^{n}\|=\sup\limits_{0<r<1}\,r^{n}(1-r)^{\frac{pq}{q-p}}$. $(1-\frac{1}{n})^{n}n^{\frac{pq}{p-q}}\leq\|z^{n}\|<1$, $\lim\limits_{n\rightarrow\infty}(\|z^{n}\|)^{\frac{1}{n}}=1$ 2.3 $\mathcal{B}_{p,\,q,\,\lambda}$. 2.1 - 2.3 . . [10]. $H_{p,\rho}^{\prime}$ $\|z^{n}\|=\left(2\int\limits_{0}^{1}\;t^{pn+1}\;\rho(t)dt\right)^{\frac{1}{p}}\;\leq\left(2\int\limits_{0}^{1}\;t\;\rho(t)dt\right)^{\frac{1}{p}}\;$ $\limsup\limits_{n\rightarrow\infty}\,(\|z^{n}\|)^{\frac{1}{n}}\leq 1$ , $t\rho(t)$ [0; 1]. , $\varepsilon\in(0;1)$ $\|z^{n}\|\geq\left(2\int\limits_{1-\varepsilon}^{1}\;t^{pn+1}\;\rho(t)dt\right)^{\frac{1}{p}}\;\geq(1-\varepsilon)^{n}\;\left(2\int\limits_{1-\varepsilon}^{1}\;t\;\rho(t)dt\right)^{\frac{1}{p}}\;$ $\liminf\limits_{n\rightarrow\infty}\,(\|z^{n}\|)^{\frac{1}{n}}\geq(1-\varepsilon)$, $\rho(t)$ , $\int\limits_{1-\varepsilon}^{1}\;t\;\rho(t)dt>0$ $\varepsilon\in(0;1)$. $\varepsilon\in(0;1)$ $\limsup\limits_{n\rightarrow\infty}\,(\|z^{n}\|)^{\frac{1}{n}}\leq 1$ $\lim\limits_{n\rightarrow\infty}(\|z^{n}\|)^{\frac{1}{n}}=1$. , 2.3 $H_{p,\rho}^{\prime}$. . ( . [12]). , 2.3 $\mathcal{A}_{p,q}^{s}(\mathbb{D})\,$. $|\Delta^{h}_{m}(e^{in\cdot})|=|(1-e^{inh})^{m}|=(2\sin\frac{nh}{2})^{m}$, $\|z^{n}\|=\left\\{\int\limits_{0}^{\frac{\pi}{n}}\left(\frac{(2\sin\frac{nt}{2})^{m}}{t^{s}}\right)^{q}\frac{dt}{t}+\int\limits_{\frac{\pi}{n}}^{1}2^{mq}t^{-sq-1}dt\right\\}^{\frac{1}{q}}\,+1\leq$ $\leq\left\\{\int\limits_{0}^{\frac{\pi}{n}}n^{mq}t^{(m-s)q-1}dt+\int\limits_{\frac{\pi}{n}}^{1}2^{mq}t^{-sq-1}dt\right\\}^{\frac{1}{q}}\,+1\leq C\,n^{q},$ C - , $m,s,q$. , $\mathcal{A}_{p,q}^{s}(\mathbb{D})\,$ $\lim\limits_{n\rightarrow\infty}(\|z^{n}\|)^{\frac{1}{n}}=1$. $\quad BMOA$. $f=z^{n}$, $f_{I}$ $\|z^{n}\|$ $\quad BMOA$. $I$ $e^{it_{1}}$ $e^{it_{2}},\quad t_{2}>t_{1},\quad x=\frac{t_{1}+t_{2}}{2},\quad h=\frac{t_{2}-t_{1}}{2}$. $f_{I}=\frac{1}{t_{2}-t_{1}}\,\int\limits_{t_{1}}^{t_{2}}e^{int}dt=\frac{\sin nh}{nh}\,e^{inx}$ $A=\frac{1}{t_{2}-t_{1}}\,\int\limits_{t_{1}}^{t_{2}}|e^{int}-\frac{\sin nh}{nh}\,e^{inx}|\,dt=\frac{1}{2h}\,\int\limits_{-h}^{h}|e^{int}-\frac{\sin nh}{nh}\,|\,dt.$ $A\leq 2$, $\|z^{n}\|=\sup\limits_{h\in[0;\,\pi]}A\leq 2$. $\|z^{n}\|$ . $\|z^{n}\|\geq\sup\limits_{h=\frac{\pi}{2n}}A=\sup\limits_{n}\frac{n}{\pi}\,\int\limits_{\frac{-\pi}{2n}}^{\frac{\pi}{2n}}\left(1-\frac{2}{\pi}\,\cos nt+\frac{4}{\pi^{2}}\right)^{\frac{1}{2}}\,dt\geq\sup\limits_{n}\frac{2n}{\pi}\,\int\limits_{0}^{\frac{\pi}{2n}}\left(\frac{2}{\pi}\,\right)^{\frac{1}{2}}\,dt=\left(\frac{2}{\pi}\,\right)^{\frac{1}{2}}.$ $\,\|z^{n}\|\,$ , $\,BMOA\,\,\lim\limits_{n\rightarrow\infty}(\|z^{n}\|)^{\frac{1}{n}}=1$. $\mathcal{B}_{\alpha}$ $n\geq 1$ $\|z^{n}\|=\sup\limits_{z\in D}|z^{n}|(1-|z|^{2})^{\alpha}\,=\left(\frac{n}{n+\alpha}\right)^{\frac{n}{2}}\,\left(\frac{2\alpha}{n+2\alpha}\right)^{\alpha},$ , $\lim\limits_{n\rightarrow\infty}(\|z^{n}\|)^{\frac{1}{n}}=1$. $\mathcal{D}_{p}(\alpha)\,$ $\|z^{n}\|=(\alpha_{n})^{\frac{1}{p}}$ e 2.3 , $\lim\limits_{n\rightarrow\infty}(\alpha_{n})^{\frac{1}{n}}=1$. , 2.1-2.3 . $BMOA,\,\mathcal{B}_{\alpha},\,\mathcal{D}_{p}(\alpha),\,\mathcal{A}_{p,q}^{s}(\mathbb{D})$ 2.1-2.3 . ## 4 . . . ###### 4.1. $f\in X\quad$ $\quad f(z)=\sum\limits_{k=0}^{\infty}c_{k}z^{k}\quad$ $\quad\mathbb{D}.\quad$ $|c_{n}|\,\|z^{n}\|\leq E_{n}(f)\leq\|f\|.$ ###### Proof. $c_{n}z^{n}=\frac{1}{2\pi i}\int\limits_{|\zeta|=1}\frac{f(z\zeta)-P_{n}(z\zeta)}{\zeta^{n+1}}d\zeta\quad,$ $P_{n}$ \- $f(z)$ $(n-1)$. $\quad|c_{n}|\|z^{n}\|\leq E_{n}(f)\leq\|f(z)\|\quad$ iii) i) $X.$ ∎ ###### 4.2. $f\in X\quad$ $\,\mu_{1}:=\liminf\limits_{n\rightarrow\infty}\,(\|z^{n}\|)^{\frac{1}{n}}$, $\mu_{2}:=\limsup\limits_{n\rightarrow\infty}\,(\|z^{n}\|)^{\frac{1}{n}}$. $\mu_{1}\geq 1,\,\mu_{2}<\infty$. ###### Proof. $\,\beta_{n}=(\|z^{n}\|)^{\frac{1}{n}}$. , $\,\mu_{2}<\infty$. , $\,\beta_{n_{k}}$ , $\lim\limits_{k\rightarrow\infty}\,\beta_{n_{k}}=\infty$. $f_{0}$, $f_{0}(z)=\sum\limits_{k=0}^{\infty}\,(\beta_{n_{k}})^{\frac{-n_{k}}{2}}z^{n_{k}}.\,$ $X$. 4.1 $k\quad(\beta_{n_{k}})^{\frac{-n_{k}}{2}}\|z^{n_{k}}\|\leq\|f_{0}\|<\infty\,$, . , $\mu_{1}\geq 1,\,$ , . . $\mu_{1}<1$. $\varrho\in(\mu_{1};\,1)$ , $\quad f_{0}(z)=\sum\limits_{k=0}^{\infty}\varrho^{-n_{k}}z^{n_{k}},$ (10) ${n_{k}}$ , $\liminf\limits_{n\rightarrow\infty}\,\beta_{n}=\lim\limits_{k\rightarrow\infty}\,\beta_{n_{k}}=\mu_{1}.$ $f_{0}$ $|z|<\rho,$ $\,\mathbb{D}$. , $S_{n,f_{0}}(z)$ (10) $X$ , , $f_{1}\in X$. , $f_{0}$ $f_{1}$ . $k\in\mathbb{N}\bigcup\\{0\\},\,n>k$ $c_{k}(f_{1})=c_{k}(S_{n,f_{0}})+c_{k}(f_{1}-S_{n,f_{0}})=c_{k}(f_{0})+c_{k}(f_{1}-S_{n,f_{0}}).$ $n\rightarrow\infty$ 2.1 $c_{k}(f_{1})=c_{k}(f_{0})$. , $f_{1}\in X$, $\mathbb{D}$, $X$. , , $\mu_{1}<1$ . ∎ ###### 4.3. $f\in X$, $\,K$\- , $\,K\subset\mathbb{D}$. $\,z\in K$ $|f(z)|\leq C\,\|f\|,$ $C$ \- , $f$ $z$. ###### Proof. $\quad d:=\sup\\{|z|:\quad z\in K\\},\,d<1$. $f$ , 4.1 , $\,z\in K$. $\quad f(z)=\sum\limits_{k=0}^{\infty}c_{k}z^{k},$ $|f(z)|\leq\sum\limits_{k=0}^{\infty}|c_{k}|\,|z^{k}|\,\leq\,\|f(z)\|\sum\limits_{k=0}^{\infty}\frac{d^{k}}{\|z^{k}\|}\,\leq C\,\|f\|$ , 4.2. ∎ ###### 1. 4.3 , $\,z\in K$ $X$ $K\subset\mathbb{D}$. , $n$ $\,z\in K$ $f^{(n)}(z)$ $X$. 2.1. ###### Proof. . $f(z)=\sum\limits_{k=0}^{\propto}c_{k}z^{k}$ $z\in\mathbb{D}$. 4.1 $\quad|c_{n}|\,\|z^{n}\|\leq E_{n}(f)$. $|c_{n}|\leq\frac{E_{n}(f)}{\|z^{n}\|}\quad\mbox{ }\quad\lim\limits_{n\rightarrow\infty}|c_{n}|^{\frac{1}{n}}\leq\lim\limits_{n\rightarrow\infty}\left(\frac{E_{n}(f)}{\|z^{n}\|}\right)^{\frac{1}{n}}=0\,,\quad\mbox{ . . }\,f\mbox{- .}$ . $f\in X$ $f_{\zeta}(z):=f(z\zeta)$. $f$ \- , $f_{R}\in X$ $R>1$ , 2 2 [13] ( . [14], . 2.3), $E_{n}(f)\leq R^{-n}E_{n}(f_{R})\leq R^{-n}\|f_{R}\|.$ 4.2 $0\leq\lim\limits_{n\rightarrow\infty}\left(\frac{E_{n}(f)}{\|z^{n}\|}\right)^{\frac{1}{n}}\leq\frac{1}{R}\,\limsup\limits_{n\rightarrow\infty}\left(\frac{1}{\|z^{n}\|}\right)^{\frac{1}{n}}\leq\frac{1}{R}.$ 4.2 $R>1$ , $\lim\limits_{n\rightarrow\infty}\left(E_{n}(f)\right)^{\frac{1}{n}}=0.$ ∎ ###### 2. [13] [14] iii), , , . iii) 2 2 [13] . 2.2. ###### Proof. . (8) , 2.1 , , $f$ \- . $\alpha$ . $\alpha=\limsup\limits_{n\rightarrow\infty}\,\frac{n\ln n}{-\ln|c_{n}|}\leq\limsup\limits_{n\rightarrow\infty}\,\frac{n\ln n}{\ln\frac{\|z^{n}\|}{E_{n}(f)}}=\rho$ (11) 4.1. , $\alpha>0$. , . . $\limsup\limits_{n\rightarrow\infty}\,\frac{n\ln n}{-\ln|c_{n}|}=0.$ $\varepsilon\in(0,\,1)$ $N_{\varepsilon}$ , $n>N_{\varepsilon}$ $n\ln n<-\varepsilon\ln{|c_{n}|}$ $|c_{n}|<n^{\frac{-n}{\varepsilon}}.$ $E_{n}(f)$ $n>N_{\varepsilon}$. $N_{\varepsilon}$ , $\|z^{n}\|\leq(\mu_{2}+\varepsilon)^{n}$ $\|z^{n}\|\geq(1-\varepsilon)^{n}$ $n\geq N_{\varepsilon}$. $E_{n}(f)\leq\|\sum\limits_{k=n}^{\infty}c_{k}z^{k}\|\leq\sum\limits_{k=n}^{\infty}k^{\frac{-k}{\varepsilon}}\,(\mu_{2}+\varepsilon)^{k}\leq\sum\limits_{k=n}^{\infty}n^{\frac{-k}{\varepsilon}}\,\left(\mu_{2}+\varepsilon\right)^{k}=$ $=n^{\frac{-n}{\varepsilon}}(\mu_{2}+\varepsilon)^{n}(1-\frac{\mu_{2}+\varepsilon}{n^{\frac{1}{\varepsilon}}})^{-1}$ (12) $n>(\mu_{2}+\varepsilon)^{\varepsilon}.$ (10) $\frac{\|z^{n}\|}{E_{n}(f)}\geq\left(\frac{1-\varepsilon}{\mu_{2}+\varepsilon}\right)^{n}\,n^{\frac{n}{\varepsilon}}\left(1-\frac{\mu_{2}+\varepsilon}{n^{\frac{1}{\varepsilon}}}\right),$ $\ln\left(\frac{\|z^{n}\|}{E_{n}(f)}\right)^{\frac{1}{n}}\geq\ln\frac{1-\varepsilon}{\mu_{2}+\varepsilon}+\,\frac{1}{\varepsilon}\ln n+\frac{1}{n}\ln\left(1-\frac{\mu_{2}+\varepsilon}{n^{\frac{1}{\varepsilon}}}\right).$ $\liminf\limits_{n\rightarrow\infty}\,\frac{\ln\left(\frac{\|z^{n}\|}{E_{n}(f)}\right)^{\frac{1}{n}}}{\ln n}\geq\frac{1}{\varepsilon},$ $\rho=\limsup\limits_{n\rightarrow\infty}\,\,\frac{n\ln n}{\ln\frac{\|z^{n}\|}{E_{n}(f)}}\leq\varepsilon,$ . $\varepsilon\in(0;\frac{1}{2})\cap(0;\alpha)$. , $\alpha=\limsup\limits_{n\rightarrow\infty}\,\frac{n\ln n}{-\ln|c_{n}|}$ , $N_{\varepsilon}\in\mathbb{N}$, $\varepsilon$ , $|c_{n}|\leq n^{-\frac{n}{\alpha+\varepsilon}}$ $n\geq N_{\varepsilon}$. $N_{\varepsilon}$ , $\|z^{n}\|\leq(\mu_{2}+\varepsilon)^{n}$ $\|z^{n}\|\geq(1-\varepsilon)^{n}$ $n\geq N_{\varepsilon}$. $n>N_{\varepsilon}$ $E_{n}(f)\leq\|\sum\limits_{k=n}^{\propto}c_{k}z^{k}\|\leq\sum\limits_{k=n}^{\propto}|c_{k}|\,\|z^{k}\|\leq\sum\limits_{k=n}^{\propto}k^{\frac{-k}{\alpha+\varepsilon}}\,\|z^{k}\|\leq$ $\leq\sum\limits_{k=n}^{\propto}n^{\frac{-k}{\alpha+\varepsilon}}(\mu_{2}+\varepsilon)^{k}=\frac{(\mu_{2}+\varepsilon)^{n}}{n^{\frac{n}{\alpha+\varepsilon}}}\cdot\left(1-\frac{\mu_{2}+\varepsilon}{n^{\frac{1}{\alpha+\varepsilon}}}\right)^{-1}.$ (13) , $\frac{\|z^{n}\|}{E_{n}(f)}\geq\frac{\|z^{n}\|}{(\mu_{2}+\varepsilon)^{n}}\cdot n^{\frac{n}{\alpha+\varepsilon}}\left(1-\frac{\mu_{2}+\varepsilon}{n^{\frac{1}{\alpha+\varepsilon}}}\right),$ $\alpha+\varepsilon\geq\frac{n\ln n}{\ln\frac{\|z^{n}\|}{E_{n}(f)}}\cdot\left(1+\frac{\alpha+\varepsilon}{n\ln n}\ln\left(1-\frac{\mu_{2}+\varepsilon}{n^{\frac{1}{\alpha+\varepsilon}}}\right)+\frac{\alpha+\varepsilon}{n\ln n}\ln\frac{\|z^{n}\|}{(\mu_{2}+\varepsilon)^{n}}\right).$ (14) ( 14) $n\rightarrow\infty$, $\alpha+\varepsilon\geq\rho$, $\varepsilon>0$ , $\alpha\geq\rho$. , $\alpha=\rho$ . . $f\in X$ \- $\rho$, . . $\limsup\limits_{n\rightarrow\infty}\,\frac{n\ln n}{-\ln|c_{n}|}=\rho.$ (15) $\alpha=\limsup\limits_{n\rightarrow\infty}\,\frac{n\ln n}{\ln\frac{\|z^{n}\|}{E_{n}(f)}}$ ($\alpha$ $\rho$ ) , $\alpha=\rho$. 4.1 (11) , $\alpha\geq\rho$. , $\varepsilon$, $0<\varepsilon<1$ $N_{\varepsilon}$ , $|c_{n}|\leq n^{-\frac{n}{\rho+\varepsilon}}$ $(1-\varepsilon)^{n}\leq\|z^{n}\|\leq(\mu_{2}+\varepsilon)^{n}$ $n>N_{\varepsilon}$. ( 13) ( 14) ( $\alpha$ $\rho$ ) $\rho+\varepsilon\geq\frac{n\ln n}{\ln\frac{\|z^{n}\|}{E_{n}(f)}}\cdot\left(1+\frac{\rho+\varepsilon}{n\ln n}\ln\left(1-\frac{\mu_{2}+\varepsilon}{n^{\frac{1}{\rho+\varepsilon}}}\right)+\frac{\rho+\varepsilon}{n\ln n}\ln\frac{\|z^{n}\|}{(\mu_{2}+\varepsilon)^{n}}\right),$ $\rho+\varepsilon\geq\alpha$ , , $\rho\geq\alpha$. . ∎ 2.3. ###### Proof. . $f\in X$ 2.3 $\rho$ $\sigma$. (9) (8) 2.2, $f$ \- $\rho$. $f$ $\alpha$. , $\alpha=\sigma$. $\alpha=\limsup\limits_{n\rightarrow\infty}\,\frac{n}{e\rho}|c_{n}|^{\frac{\rho}{n}}$ (16) 4.1 $\alpha\leq\sigma$. . (16) , $\varepsilon>0$ $N_{\varepsilon}\in\mathbb{N}$ , $n>N_{\varepsilon}$ $|c_{n}|<\left(\frac{\rho e(\alpha+\varepsilon)}{n}\right)^{\frac{n}{\rho}}.$ (17) (17) (13), (14) $E_{n}(f)\leq\sum\limits_{k=n}^{\infty}\left(\frac{\rho e(\alpha+\varepsilon)}{k}\right)^{\frac{k}{\rho}}\|z^{k}\|\leq\left(\frac{\rho e(\alpha+\varepsilon)}{n}\right)^{\frac{n}{\rho}}(\mu+\varepsilon)^{n}\times$ $\times\left(1-\frac{C}{n^{\frac{1}{\rho}}}\right)^{-1}\quad,$ (18) $C=(\mu+\varepsilon)(\rho e(\alpha+\varepsilon))^{\frac{1}{\rho}}$. (18) $\alpha+\varepsilon\geq\frac{n}{e\rho}\left(\frac{E_{n}(f)}{\|z^{n}\|}\right)^{\frac{\rho}{n}}\frac{\|z^{n\|^{\frac{\rho}{n}}}}{(\mu+\varepsilon)^{\rho}}\left(1-\frac{c}{n^{\frac{1}{\rho}}}\right)^{\frac{\rho}{n}}.$ (19) (19), $\alpha+\varepsilon\geq\sigma\left(\frac{\mu}{\mu+\varepsilon}\right)^{\rho},$ (20) , $\varepsilon$ , $\alpha\geq\sigma$ , . . $f\in X$ \- , . $\rho$ ( 2.2 (8)) $\alpha$ . , $\alpha=\sigma$. (16) 4.1 $\alpha\leq\sigma$. $\alpha\geq\sigma$ . ∎ 2.1 - 2.3 , $f\in X$ . , . , $X$ \- , $\mathbb{D}$, i), ii) iii) ( $f\in X$ $\mathbb{D}$), 2.1 - 2.3. ###### 4.1. $f\in X$ $\liminf\limits_{n\rightarrow\infty}\,(\|z^{n}\|)^{\frac{1}{n}}=\mu_{1}>0$. $f$ \- , $\lim\limits_{n\rightarrow\infty}\,\left\\{\frac{E_{n}(f)}{\|z^{n}\|}\right\\}^{\frac{1}{n}}=0.$ (21) , (21), $\\{p^{*}_{n}\\}$ $f$ $X$ $|z|<r,\,r\in(0;\mu_{1})$ . ###### Proof. 2.1. . $f\in X$ (21). , $\,E_{n}(f)\rightarrow 0$ $\,n\rightarrow\infty.$ , $m$ $n,\,m\geq n$ $\\{P^{*}_{n}(z)\\}$ $\|P^{*}_{n}(z)-P^{*}_{m}(z)\|\leq 2E_{n}(f)$. 4.3 , $sup$ \- $|z|\leq r$ $r\in(0;\mu_{1})$ $|P^{*}_{n}(z)-P^{*}_{m}(z)|\leq 2CE_{n}(f)$ $C$, $r$ $\mu_{1}$. $\\{P^{*}_{n}(z)\\}$ $|z|<\mu_{1}$ $g(z)$, $|z|<\mu_{1}$, $|P^{*}_{n}(z)-g(z)|\leq 2CE_{n}(f)$ $|z|\leq r$. $\gamma_{n}$ $g(z)$ $|\gamma_{n}|\leq 2CE_{n}r^{-n}(f)$. $g(z)$ \- . ∎ 2.2 2.3 . ###### 4.2. $\liminf\limits_{n\rightarrow\infty}\,(\|z^{n}\|)^{\frac{1}{n}}=\mu_{1}>0\,,\quad\limsup\limits_{n\rightarrow\infty}\,(\|z^{n}\|)^{\frac{1}{n}}=\mu_{2}<\infty$, $f\in X$. $f$ \- $\rho\in(0;\infty)$, $\limsup\limits_{n\rightarrow\infty}\,\frac{n\ln n}{\ln\frac{\|z^{n}\|}{E_{n}(f)}}=\rho.$ (22) , (22), $\\{p^{*}_{n}\\}$ $f$ $X$ $|z|<r,\,r\in(0;\mu_{1})$ $\rho\in(0;\infty)$, (22). ###### 4.3. $\lim\limits_{n\rightarrow\infty}(\|z^{n}\|)^{\frac{1}{n}}=\mu>0$, $f\in X$. $f$ \- $\rho\in(0;\infty)$ $\sigma\in(0;\infty)$, $\limsup\limits_{n\rightarrow\infty}\,\frac{n}{e\rho}\left(\frac{E_{n}(f)}{\|z^{n}\|}\right)^{\frac{\rho}{n}}=\sigma.$ (23) , (23), $\\{p^{*}_{n}\\}$ $f$ $X$ $|z|<r,\,r\in(0;\mu_{1})$ $\rho\in(0;\infty)$ $\sigma\in(0;\infty)$ ( $\sigma,\rho$ (23)). ###### 3. $\mu_{1}>0$, $\mu_{2}<\infty$ 4.1-4.2 ( , , ). $\lim\limits_{n\rightarrow\infty}(\|z^{n}\|)^{\frac{1}{n}}=\mu>0$ 4.3? . ## 5 $f\in X$ ${\mathcal{P}}_{n}[\mathbb{Z}]$ , $\mathbb{C}$ . . . [15] ( . [16]). , $z=0$ , , . ${\mathcal{P}}_{n}[\mathbb{Z}]$ . $X$. , , 4.1 - 4.4, $X$ , $\mathbb{D}$. ###### 5.1. $f\in X$ $\inf\limits_{n\in\mathbb{N}}\,\|z^{n}\|>0$. $p_{n}\in{\mathcal{P}}_{n}[\mathbb{Z}]$ , $\lim\limits_{n\rightarrow\infty}\,\|f-p_{n}\|=0,$ $f$ . $B$ $H_{p}$ [17]. 5.1. ###### Proof. $\|p_{n+1}-p_{n}\|\leq\|p_{n+1}-f\|+\|f-p_{n}\|\rightarrow 0$ $n\rightarrow\infty$. , $p_{n+1}\neq p_{n}$ , $p_{n+1}-p_{n}$ 4.1 $\|p_{n+1}-p_{n}\|\geq\inf\limits_{n\in\mathbb{N}}\,\|z^{n}\|,$ . . $\|p_{n+1}-p_{n}\|$ . , $n\quad p_{n+1}\equiv p_{n}\equiv f$. ∎ $B$ ( . , [17]). ###### 5.2. $f\in X$. $p_{n}\in{\mathcal{P}}_{n}[\mathbb{Z}]$ , $\lim\limits_{n\rightarrow\infty}\,\|f-p_{n}\|=0,$ $c_{k}:=\frac{f^{k}(0)}{k!}$ \- . ###### Proof. $p_{n}$ $p_{n}(z)=\sum\limits_{k=0}^{n}a_{k,n}z^{k},$ $a_{k,n}$ . 4.1 $|c_{k}-a_{k,n}|\,\|z^{k}\|\leq\|f(z)-p_{n}(z)\|\rightarrow 0,\quad n\rightarrow\infty.$ , $c_{k}=\lim\limits_{n\rightarrow\infty}\,a_{k,n}\in\mathbb{Z}.$ ∎ ###### 1. 5.2 , $\,z$ , , . ###### 5.3. $f\in X\quad$, $\quad f(z)=\sum\limits_{k=0}^{\infty}c_{k}z^{k}\quad$ $\quad\mathbb{D}\quad$ $\lim\limits_{n\rightarrow\infty}\,\|f(z)-S_{n}(f,z)\|=0,$ $S_{n}(f,z)$ \- $f$ $n$. $p_{n}\in{\mathcal{P}}_{n}[\mathbb{Z}]$ , $\lim\limits_{n\rightarrow\infty}\,\|f(z)-p_{n}(z)\|=0,$ , $c_{k}$ . ###### Proof. 5.2, - , $S_{n}(f,z)$ . ∎ $H_{p}$ $H^{\prime}_{p},\quad p\in(1,\infty)$, . [17] ( $H^{\prime}_{p},\quad p\in(1,\infty)$ ${\mathcal{P}}_{n}[\mathbb{Z}]$, $H_{p}$ \- ). ###### 5.4. $f\in X,\quad$ , $p_{n}\in{\mathcal{P}}_{n}[\mathbb{Z}]$ , $\lim\limits_{n\rightarrow\infty}\,\|f(z)-p_{n}(z)\|=0.$ $\liminf\limits_{n\rightarrow\infty}\,\|z^{n}\|=0.$ ###### Proof. $p_{n}$ $z^{m_{n}}$, $m_{n}$ , $m_{n}>deg\,p_{n}$, $c_{m_{n}}$ $m_{n}$ ( , ; ). 5.2 $c_{m_{n}}$ , $\|z^{m_{n}}\|\leq|c_{m_{n}}|\,\|z^{m_{n}}\|\leq\|f(z)-p_{n}(z)\|\rightarrow 0$ $n\rightarrow\infty$. ∎ $\liminf\limits_{n\rightarrow\infty}\,\|z^{n}\|=0$ 5.4 , . ###### 5.5. , $X$ $f$, $p_{n}\in{\mathcal{P}}_{n}[\mathbb{Z}]$, , $X$ $\liminf\limits_{n\rightarrow\infty}\,\|z^{n}\|=0.$ ###### Proof. . . $\liminf\limits_{n\rightarrow\infty}\,\|z^{n}\|=0$ , $n_{k}$ , $\|z^{n_{k}}\|\leq 2^{-k}$ $k=1,2,3,...\,$. $f(z)=\sum\limits_{k=0}^{\infty}z^{n_{k}}\quad.$ , $f$ , $f\in X\,$ $f$ ( $S_{n}(f,z)$ ). ∎ ###### 4. , , iii) $iii^{\prime})\quad\,\|\frac{1}{2\pi}\int\limits_{0}^{2\pi}f(ze^{it})g(t)\,dt\|\leq\,C\,\frac{1}{2\pi}\int\limits_{0}^{2\pi}|g(t)|\,dt\,\,\|f(\cdot)\|,$ (24) $C$ $f\in X$ $g\in L_{[0;\,2\pi]}$. ## References * [1] Hardy G.H., Littlewood J.E. _Some properties of fractional integrals II_ Math. Z., 1931, 34, N 3, 403–439. * [2] Duren P.L., Romberg B.W., Shields A.L. _Linear functionals in $H_{p}$ spaces with $0<p<1$_ // J. reine und angew. Math. - 1969. - 238, s. 4–60. * [3] . . _._ . // - 1977. 21, N 2, . 141–150. * [4] . . _._ // . . . , , - 1985. 23 - . 3–124. * [5] K. Zhu _Bloch type spaces of analytic functions_ // Rocky mountain J. Math. - 1993. - 23, N 3, p. 1143–1177. * [6] . . _. . . . ._ // . - - 1981. - 155, . 41–76. * [7] Reddy A.R. _A Constribution to best approximation in the $L^{2}$ norm._ // J. Approxim. Theory. 1974. - 11, N 11, p. 110–117. * [8] . ., . . _._ // . - 1976. - 227, N 2, . 280–283. * [9] . ., . . _ $A_{p}(|z|<1).$ _ // . .- : -1977. N 1, . 84–96. * [10] . . _ $\mathcal{B}_{p,\,q,\,\lambda}.$_ // , . .- . . . - 1989. - N 8, . 6–9. * [11] . . _._ // . -1990. - 42, N 6, . 838–843. * [12] . _._ \- , . 01.01.01 - . - , 2009. - 14 . * [13] . ., . . _._ // . - , . - 1983, . 63–73. * [14] . . _,_ // . . . - 2006\. - 3, N 3, . 315–330. * [15] . . _._ // . , . . - 1964. - 28, N 5 - . 1173–1186. * [16] . . _._ // . - , . - 1971, . 267–333. * [17] Igor E. Pritsker _An areal analog of Mahler’s measure._ // Illinois J. Math. - 2008. - 52, N 2 - p. 347-363. : , . , 83055 . , 24 -mail: [email protected] . +38(062)-2972953, +380667075599
arxiv-papers
2014-02-13T17:03:00
2024-09-04T02:49:58.208634
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "M. Dveyrin", "submitter": "Mykhaylo Dveyrin Z", "url": "https://arxiv.org/abs/1402.3218" }
1402.3275
# Automorphism groups of simplicial complexes of infinite type surfaces Jesús Hernández Hernández Aix-Marseille Université, 39 rue F. Joliot Curie, 13453 Marseille Cedex 13, France _e-mail:_ [email protected] José Ferrán Valdez Lorenzo Centro de Ciencias Matemáticas, UNAM, Campus Morelia 58190, Morelia, Michoacán, México _e-mail:_ [email protected] ###### Abstract Let $S$ be any orientable surface of infinite genus with a finite number of boundary components. In this work we consider the curve complex $\mathcal{C}(S)$, the nonseparating curve complex $\mathcal{N}(S)$ and the Schmutz graph $\mathcal{G}(S)$ of $S$. When all the topological ends of $S$ carry genus, we show that all elements in the automorphism groups $\mathrm{Aut}(\mathcal{C}(S))$, $\mathrm{Aut}(\mathcal{N}(S))$ and $\mathrm{Aut}(\mathcal{G}(S))$ are _geometric_ , _i.e._ these groups are naturally isomorphic to the _extended_ mapping class group $\mathrm{MCG}^{*}(S)$ of the infinite surface $S$. Finally, we study rigidity phenomena within $\mathrm{Aut}(\mathcal{C}(S))$ and $\mathrm{Aut}(\mathcal{N}(S))$. ## 1 Introduction The mapping class group and the extended mapping class group of a given surface $S$, that we will denote by $\mathrm{MCG}(S)$ and $\mathrm{MCG}^{*}(S)$ respectively, have been studied mostly when $S$ has _finite topological type_ , that is, when its fundamental group is finitely generated. The main purpose of this article is the study of the natural (simplicial) action of the group $\mathrm{MCG}^{*}(S)$ on two abstract simplicial complexes and one simplicial graph associated to $S$ when the surface $S$ has infinite genus. These complexes and graph are: 1. 1. The _curve complex_ $\mathcal{C}(S)$. This is the abstract simplicial complex whose vertices are the (isotopy classes of) essential curves in $S$, and whose simplexes are multicurves of finite cardinality. It was introduced by Harvey in 1978. 2. 2. The _nonseparating curve complex_ $\mathcal{N}(S)$. This is the simplicial subcomplex of $\mathcal{C}(S)$ formed by all nonseparating curves, that is, all the (isotopy classes of) essential curves $\alpha$ such that $S\setminus\alpha$ is connected. This was first introduced by Schmutz in [Sch]. 3. 3. The _Schmutz graph_ $\mathcal{G}(S)$. Introduced by Paul Schmutz Schaller in [Sch], this is the simplicial graph whose vertex set is the same as the vertex set of $\mathcal{N}(S)$, and two vertices span an edge whenever their geometric intersection number is 1. It is also known as _a modified complex of nonseparating curves_ (see [Farb]), for it can be thought as a 1-dimensional simplicial complex. Recall that any _orientable_ surface of infinite topological type is completely determined, up to homeomorphism, by its genus $g(S)\in\mathbb{N}\cup\\{\infty\\}$, and a nested pair of topological spaces $\mathrm{Ends}^{*}(S)\subset\mathrm{Ends}(S)$. Roughly speaking, $\mathrm{Ends}(S)$ are the _topological ends_ of $S$ and $\mathrm{Ends}^{*}(S)$ is formed by those that carry (infinite) genus. We will focus our attention on infinite genus surfaces $S$ for which the boundary $\partial S$ has finitely many connected components (possibly none) and $\mathrm{Ends}^{*}(S)=\mathrm{Ends}(S)$. To each of the aforementioned simplicial complexes one can associate its automorphism group. We denote these groups by $\mathrm{Aut}(\mathcal{C}(S))$, $\mathrm{Aut}(\mathcal{N}(S))$ and $\mathrm{Aut}(\mathcal{G}(S))$ respectively. For surfaces of finite topological type of positive genus (with the exception of the two-holed torus), every element in $\mathrm{Aut}(\mathcal{C}(S))$, $\mathrm{Aut}(\mathcal{N}(S))$ and $\mathrm{Aut}(\mathcal{G}(S))$ is _geometric_. That is, if $X=\mathcal{C}(S),\mathcal{N}(S)$ or $\mathcal{G}(S)$, then the natural map: $\Psi_{X}:$ | $\mathrm{MCG}^{*}(S)$ | $\longrightarrow$ | $\mathrm{Aut}(X)$ ---|---|---|--- | $[h]$ | $\mapsto$ | $h_{*}$ (1) where $h_{*}$ is given by $h_{*}([\alpha])=[h(\alpha)]$ is an isomorphism. This result is due to Ivanov [Ivanov] for $X=\mathcal{C}(S)$, to Irmak and Schmutz [Irmak], [Sch] for $X=\mathcal{N}(S)$ and to Schmutz [Sch] when $X=\mathcal{G}(S)$. The main purpose of this article is to extend this result for surfaces of infinite genus: ###### Theorem 1. Let $S$ be an infinite genus surface with finitely many boundary components such that $\mathrm{Ends}^{*}(S)=\mathrm{Ends}(S)$. Then the natural map $\Psi_{X}:\mathrm{MCG}^{*}(S)\longrightarrow\mathrm{Aut}(X)$ is an isomorphism for $X=\mathcal{C}(S),\mathcal{N}(S)$ or $\mathcal{G}(S)$. The techniques that we use to prove this result rely heavily on the hypothesis $\mathrm{Ends}^{*}(S)=\mathrm{Ends}(S)$. However, we suspect that this theorem remains valid for surfaces with arbitrarily many planar ends. In addition to the study of the action of $\mathrm{MCG}^{*}(S)$ on simplicial complexes, we study rigidity phenomena within the curve complex and the nonseparating curve complex. More precisely: ###### Theorem 2. Let $S_{1}$ and $S_{2}$ be infinite genus surfaces with finitely many boundary components, such that $\mathrm{Ends}(S_{i})=\mathrm{Ends}^{*}(S_{i})$ for $i=1,2$ and let $\phi:\mathcal{C}(S_{1})\rightarrow\mathcal{C}(S_{2})$ be an isomorphism. Then $S_{1}$ is homeomorphic to $S_{2}$. As we will see in section §4.2 this result is not valid if we allow the infinite genus surface $S$ to have planar ends. In §4.2 we will also see that the tools used in the proof of this theorem work for nonseparating curves. Hence, we have the following: ###### Corollary 1. Let $S_{1}$ and $S_{2}$ be infinite genus surfaces with finitely many boundary components, such that $\mathrm{Ends}(S_{i})=\mathrm{Ends}^{*}(S_{i})$ for $i=1,2$ and let $\phi:\mathcal{N}(S_{1})\rightarrow\mathcal{N}(S_{2})$ be an isomorphism. Then $S_{1}$ is homeomorphic to $S_{2}$. As we will see in section §5, contrary to the compact case, this kind of rigidity results cannot be extended to injective simplicial maps when $S$ is an infinite genus surface. We must remark that while the results of this article are highly inspired by those of the compact case, many proofs have been either modified or outright rewritten to accommodate for the infinite type surfaces. We have also stablished new results and techniques on which the main results of this article rely. Among these we underline the relation between $\mathrm{Ends}(S)$ and the space of ends of the adjacency graph of a pants decomposition of $S$ (see §3, theorem 4) and a variant of the Alexander method for infinite type surfaces (see §5, theorem 4). We refer the reader to [Fou1], [Fou2] and [Fuji] for previous work on groups formed by mapping classes of infinite type surfaces. We want to stress, however, that the cited authors focus their work on several subgroups of what we here call the mapping class group (_e.g._ those with assymptotic qualities for a specific surface or quasiconformal automorphisms of a Riemann surface) and on their action on the Teichmüller space. _Acknowledgements_. We want to thank Camilo Ramírez Maluendas for the question that lead to the creation of this article. We are greateful to Hamish Short and Javier Aramayona for carefully reading preliminary versions of this text. The first author would like to thanks Daniel Juan Pineda for his support during the realization of this project. The second author was generously supported by LAISLA, CONACYT CB-2009-01 127991 and PAPIIT projects IN103411 & IB100212 during the realization of this project. ## 2 Preliminaries ### 2.1 Topological invariants for infinite type surfaces Let $X$ be a locally compact, locally connected, connected Hausdorff space. ###### Definition 2.1. [F] Let $U_{1}\supseteq U_{2}\supseteq\ldots$ be an infinite sequence of non- empty connected open subsets of $X$ such that for each $i\in\mathbb{N}$ the boundary $\partial U_{i}$ is compact and $\bigcap\limits_{i\in\mathbb{N}}\overline{U_{i}}=\emptyset$. Two such sequences $U_{1}\supseteq U_{2}\supseteq\ldots$ and $U^{\prime}_{1}\supseteq U^{\prime}_{2}\supseteq\ldots$ are said to be equivalent if for every $i\in\mathbb{N}$ there exist $j,k$ such that $U_{i}\supseteq U^{\prime}_{j}$ and $U^{\prime}_{i}\supseteq U_{k}$. The corresponding equivalence class is called a topological end of $X$. The set of ends ${\rm Ends}(X)$ of $X$ can be endowed with a topology in the following way. For any set $U$ in $X$ whose boundary is compact, we define $U^{*}$ to be the set of all ends $[U_{1}\supseteq U_{2}\supseteq\ldots]$ for which there is a representative such that $U_{n}\subset U$ for $n$ sufficiently large. With respect to this topology, ${\rm Ends}(X)$ is a compact, closed, totally disconnected space without interior points (see for example Theorem 1.5, [Ray]). The genus of a surface is the maximum of the genera of its compact subsurfaces. A surface is said to be planar if all of its compact subsurfaces are of genus zero. We define $\mathrm{Ends}^{*}(S)\subset{\rm Ends}(S)$ as the set of all ends which are not planar. As stated in the following theorem, any orientable surface is determined, up to homeomorphism, by its genus, boundary and space of ends. Henceforth all surfaces in this text are connected. ###### Theorem 3. Let $S$ and $S^{\prime}$ be two orientable surfaces of the same genus. Then $S$ and $S^{\prime}$ are homeomorphic if and only if they have the same number of boundary components, and $\mathrm{Ends}^{*}(S)\subset{\rm Ends}(S)$ and $\mathrm{Ends}^{*}(S^{\prime})\subset{\rm Ends}(S^{\prime})$ are homeomorphic as nested topological spaces. The proof of this theorem for the case when $S$ and $S^{\prime}$ have no boundary can be found in [R]. The case for surfaces with boundary was proven in [PM]. ### 2.2 Complexes and graphs of curves There are several curve complexes that one can associate to a surface of finite genus, with finitely many boundary components and punctures. In this section we extend the definitions of these complexes to noncompact surfaces of infinite topological type and explore some of their basic properties. Abusing language and notation, we will call curve, a topological embedding $S^{1}\hookrightarrow S$, the isotopy class of this embedding and its image on $S$. A curve is said to be _essential_ if it is neither homotopic to a point nor to a boundary component. Hereafter all curves are considered essential unless otherwise stated. An essential curve is said to be _separating_ if the surface obtained by cutting $S$ along its image is disconnected. It is said to be nonseparating otherwise. A separating curve $\alpha$ is said to be an _outer separating_ curve if by cutting $S$ along $\alpha$ one of the resulting connected components is a pair of pants (_i.e._ a genus 0 surface with three boundary components). A non-outer separating curve is a separating curve which is not an outer separating curve. Two curves are _disjoint_ if they are distinct and their (geometric) intersection number is $0$. ###### Definition 2.2 (Multicurves). A multicurve is either a set of just one curve, or a pairwise disjoint and locally finite set of curves of $S$. We allow multicurves to consist of an infinite set of curves. If $M$ is a multicurve of $S$, the surface obtained by cutting $S$ along pairwise disjoint representatives of the elements of $M$ will be denoted by $S_{M}$. Infinite _countable_ multicurves arise in surfaces with nonfinitely generated fundamental group. Take for example the Loch Ness Monster, that is, a surface with infinite genus and one end. If $S$ is a compact surface of genus $g$ with $n$ boundary components, the _complexity_ of $S$, denoted by $\kappa(S)$, is equal to $3g-3+n$. This is the cardinality of a maximal multicurve in $S$. ###### Definition 2.3 (The Curve Complex). The Curve complex of $S$, $\mathcal{C}(S)$, is the abstract simplicial complex whose vertices are the isotopy classes of essential curves in $S$, and whose simplexes are multicurves of finite cardinality. We denote the set of vertices of $\mathcal{C}(S)$ by $\mathcal{V}(\mathcal{C}(S))$. The $1$-skeleton of $\mathcal{C}(S)$ will be denoted by $\mathcal{C}^{1}(S)$. Since every automorphism of $\mathcal{C}(S)$ is determined uniquely by a function of its vertices, and the same statement is true for automorphisms of $\mathcal{C}^{1}(S)$, then the groups $\mathrm{Aut}(\mathcal{C}(S))$ and $\mathrm{Aut}(\mathcal{C}^{1}(S))$ are isomorphic. ###### Definition 2.4 (The Nonseparating Curve Complex). The Nonseparating curve complex of $S$, $\mathcal{N}(S)$, is the subcomplex of $\mathcal{C}(S)$ whose vertices are the isotopy classes of essential _nonseparating_ curves in $S$. We denote the set of vertices of $\mathcal{N}(S)$ by $\mathcal{V}(\mathcal{N}(S))$. ###### Definition 2.5 (The Schmutz graph). The Schmutz graph of $S$, $\mathcal{G}(S)$, is the simplicial graph whose vertices are the isotopy classes of essential nonseparating curves in $S$, and two vertices span an edge if their geometric intersection number is $1$. ###### Proposition 2.6. Let $S$ be a surface of infinite genus. Then $\mathcal{C}(S)$, $\mathcal{N}(S)$ and $\mathcal{G}(S)$ are connected. In particular $\mathcal{C}^{1}(S)$ and $\mathcal{N}^{1}(S)$ have diameter 2 while $\mathcal{G}(S)$ has diameter 4. ###### Proof. Given any two distinct curves $\alpha$ and $\beta$ (either in $\mathcal{V}(\mathcal{C}(S))$ or in $\mathcal{V}(\mathcal{N}(S))$), we can always find a compact (finite genus) subsurface $S^{\prime}$ such that contains $\alpha$ and $\beta$. Hence we can take an essential nonseparating curve $\gamma$ on $S$ contained in $S\backslash S^{\prime}$ and not isotopic to $\alpha$ and $\beta$. Therefore $\mathcal{C}^{1}(S)$ and $\mathcal{N}^{1}(S)$ are connected, $\mathrm{diam}(\mathcal{C}^{1}(S))=\mathrm{diam}(\mathcal{N}^{1}(S))=2$. If $\alpha$ and $\beta$ are two distinct nonseparating curves, as in the paragraph above, we can always find a curve $\gamma$ such that $i(\alpha,\gamma)=i(\gamma,\beta)=0$; then we can always find curves $\delta_{1}$ and $\delta_{2}$ such that $i(\alpha,\delta_{1})=i(\delta_{1},\gamma)=i(\gamma,\delta_{2})=i(\delta_{2},\beta)=1$. Hence $\mathcal{G}(S)$ is connected, $\mathrm{diam}(\mathcal{G}(S))\leq 4$. ∎ ###### Remark 1. Number 2 as diameter for $\mathcal{C}^{1}(S)$ and $\mathcal{N}^{1}(S)$ is optimal, but 4 as diameter for $\mathcal{G}(S)$ is not necessarily optimal. ### 2.3 Mapping Class Group Through this article, we will be working with the mapping class group of a surface $S$. When $S$ is compact, this group has different (equivalent) definitions, see for example [Farb], §2.1. In this paper we will be working with the following definition. ###### Definition 2.7 (Mapping Class Group). Let $S$ be a surface. Then $\mathrm{Homeo}^{+}(S,\partial S)$ is the group of orientation-preserving homeomorphisms of $S$ that restrict to the identity on the boundary, and $\mathrm{Homeo}(S)$ is the group of _all_ homeomorphisms of $S$. The mapping class group of $S$, $\mathrm{MCG}(S)$ is the group $\mathrm{Homeo}^{+}(S)/\thicksim$, where $\thicksim$ represents the isotopy relation relative to the boundary. The extended mapping class group of $S$ is the group $\mathrm{MCG}^{*}(S)\coloneqq\mathrm{Homeo}(S)/\thicksim$, where $\thicksim$ represents the isotopy relation. The group $\mathrm{MCG}^{*}(S)$ is incredibly big. As evidence for this we have the following lemma and corollaries. ###### Lemma 2.8. Let $S$ be an infinite genus surface and $F$ a subsurface of $S$ such that $S\backslash F$ has genus at least $1$ and the boundary components of $F$ are either boundary components of $S$ or essential curves of $S$. Then there exists a subgroup of $\mathrm{MCG}^{*}(S)$ isomorphic to $\mathrm{MCG}(F)$, with infinite index in $\mathrm{MCG}^{*}(S)$. ###### Proof. The subgroup of $\mathrm{MCG}^{*}(S)$ formed by those orientation-preserving elements $[h]\in\mathrm{MCG}^{*}(S)$ that have a representative $h$ with support on $F$, is isomorphic to $\mathrm{MCG}(F)$. This subgroup will have index greater or equal to the number of different elements in $\mathrm{MCG}^{*}(S)$ that have its support in the interior of the complement of $F$, thus it will have infinite index. ∎ ###### Corollary 2. Let $S$ be an infinite genus surface and $S_{g,n}$ be a compact surface of genus $g$ and $n$ boundary components. Then $\mathrm{MCG}^{*}(S_{g,n})<\mathrm{MCG}^{*}(S)$. ###### Corollary 3. Let $S$ be an infinite genus surface, $\\{(g_{i},n_{i})\\}_{i\in\mathbb{N}}\subset(\mathbb{N}\times\mathbb{Z}^{+})\backslash\\{(0,1)\\}$ be a sequence and $S_{i}$ be a compact orientable surface of genus $g_{i}$ and $n_{i}$ boundary components. Then $\mathrm{MCG}^{*}(S)$ contains a subgroup isomorphic to $\prod_{i\in\mathbb{N}}\mathrm{MCG}^{*}(S_{i})$. ## 3 Ends of adjacency graphs and surfaces In this section we prove that, under the hypotheses $\mathrm{Ends}(S)=\mathrm{Ends}^{*}(S)$, one can determine topologically $\mathrm{Ends}(S)$ using the adjacency graph of a pants decomposition of $S$. ###### Definition 3.1 (Pants decomposition and the adjacency graph). A _pants decomposition_ is a multicurve $P$ of maximal cardinality. We say $\alpha,\beta\in P$ are adjacent with respect to $P$ if they bound the same pair of pants in $S_{P}$. The adjacency graph of $P$, $\mathcal{A}(P)$, is the simplicial graph whose vertex set is $P$ and two vertices span an edge if and only if they are adjacent with respect to $P$. We say two nonseparating curves form a _peripheral pair_ if they bound, along with a boundary component of $S$, a pair of pants. If $P$ is a pants decomposition, $S_{P}$ is the disjoint union of surfaces homeomorphic to a pair of pants, for otherwise we contradict maximality. As an abstract graph, $\mathcal{A}(P)$ is a subgraph of $\mathcal{C}^{1}(S)$, but we have to keep in mind that adjacency of vertices in $\mathcal{A}(P)$ and $\mathcal{C}^{1}(S)$ means different things for the corresponding curves in $S$. ###### Remark 2. It can be easily checked that the only cut points of an adjacency graph $\mathcal{A}(P)$ are non-outer separating curves, and non-outer separating curves are always cut points of any adjacency graph in which they are vertices. Also, we can easily check outer separating curves always have degree less or equal to two. ###### Theorem 4. Let $S$ be an infinite genus surface such that $\mathrm{Ends}(S)=\mathrm{Ends}^{*}(S)$ and $P$ be a pants decomposition of $S$. Then $\mathrm{Ends}(\mathcal{A}(P))$ is homeomorphic to $\mathrm{Ends}(S)$. ###### Proof. For every pants decomposition there is a natural, but not canonical, topological embedding: $f:\mathcal{A}(P)\hookrightarrow S$ (2) This embedding is illustrated in figure 1. Let $\Gamma$ be a subgraph of $\mathcal{A}(P)$ whose boundary $\partial\Gamma$ is compact. We define $S(\Gamma)$ as the subsurface of $S$ formed by all pants in $S$ (defined by the multicurve $P$) that intersect $f(\Gamma)$, _deprived of its boundary_. By definition $S(\Gamma)$ is an open subsurface of $S$ whose boundary is formed by a finite collection of curves $\\{C_{1},\ldots,C_{n}\\}\subset P$. Remark that if the graph $\Gamma$ is connected, so is $S(\Gamma)$. Moreover if $\Gamma\supset\Gamma^{\prime}$ are two connected subgraphs of $\mathcal{A}(P)$ with compact boundaries we have that $S(\Gamma)\supset S(\Gamma^{\prime})$. For every $[\Gamma_{1}\supseteq\Gamma_{2}\supseteq\ldots]$ in $\mathrm{Ends}(\mathcal{A}(P))$ we define: $f_{*}[\Gamma_{1}\supseteq\Gamma_{2}\supseteq\ldots]=[S(\Gamma_{1})\supseteq S(\Gamma_{2})\supseteq\ldots]\in\mathrm{Ends}(S)$ (3) Figure 1: A natural embedding of $\mathcal{A}(P)$ into $S$. It follows directly from definition 2.1 that $f_{*}$ is well defined. We claim that $f_{*}:\mathrm{Ends}(\mathcal{A}(P))\to\mathrm{Ends}(S)$ is an homeomorphism. The injectivity of $f_{*}$ follows from the following general lemma: ###### Lemma 3.2. [F] Let $[U_{1}\supseteq U_{2}\supseteq\ldots]$ and $[U^{\prime}_{1}\supseteq U^{\prime}_{2}\supseteq\ldots]$ be two different points in $\mathrm{Ends}(X)$. Then there exists $i\in\mathbb{N}$ such that $U_{i}\cap U^{\prime}_{i}=\emptyset$. Indeed, let us suppose that $[\Gamma_{1}\supseteq\Gamma_{2}\supseteq\ldots]\neq[\Gamma^{\prime}_{1}\supseteq\Gamma^{\prime}_{2}\supseteq\ldots]$. Then there exists an $i\in\mathbb{N}$ such that $\Gamma_{i}\cap\Gamma^{\prime}_{i}=\emptyset$. Let us suppose that $[S(\Gamma_{1})\supseteq S(\Gamma_{2})\supseteq\ldots]=[S(\Gamma^{\prime}_{1})\supseteq S(\Gamma^{\prime}_{2})\supseteq\ldots]$. Hence, for the previous $i\in\mathbb{N}$ there exist $l,k\in\mathbb{N}$ such that $S(\Gamma_{i})\supseteq S(\Gamma^{\prime}_{l})$ and $S(\Gamma^{\prime}_{i})\supseteq S(\Gamma_{k})$. Without loss of generality suppose that $S(\Gamma^{\prime}_{l})\supseteq S(\Gamma^{\prime}_{i})$, hence $S(\Gamma_{i})\cap S(\Gamma^{\prime}_{i})=S(\Gamma^{\prime}_{i})$ and, since both $\partial\Gamma_{i}$ and $\partial\Gamma^{\prime}_{i}$ have compact boundary we conclude that $\Gamma_{i}\cap\Gamma^{\prime}_{i}\neq\emptyset$. This contradicts our initial assumption. The case where $S(\Gamma^{\prime}_{i})\supseteq S(\Gamma^{\prime}_{l})$ is analogous. We address now surjectivity. Let $[S_{1}\supseteq S_{2}\supseteq\ldots]\in\mathrm{Ends}(S)$. Since there are no planar ends, that is $\mathrm{Ends}(S)=\mathrm{Ends}^{*}(S)$, we can consider, for each $S_{i}$ the surface $\mathfrak{S}_{i}$ formed by all pants in the pants in the decomposition defined by $P$ that intersect $S_{i}$. Since $S_{i}$ is connected, then $\mathfrak{S}_{i}$ must be connected. Also, since $\partial S_{i}$ is compact, so is $\partial\mathfrak{S}_{i}$. Moreover, by definition, if $i\leq j$ then $\mathfrak{S}_{i}\supseteq\mathfrak{S}_{j}$. Hence we have a well defined end $[\mathfrak{S}_{1}\supseteq\mathfrak{S}_{2}\supseteq\ldots]\in\mathrm{Ends}(S)$. By construction, for every $i\in\mathbb{N}$ we have that $S_{i}\subset\mathfrak{S}_{i}$. On the other hand, given $i\in\mathbb{N}$ we can find $S_{j}$ such that $S_{i}\setminus S_{j}$ contains (properly) a connected surface formed by pants in the pant decomposition defined by $P$. This implies that there exists $k\in\mathbb{N}$ such that $S_{j}\subset\mathfrak{S_{k}}$. Therefore $[\mathfrak{S}_{1}\supseteq\mathfrak{S}_{2}\supseteq\ldots]=[S_{1}\supseteq S_{2}\supseteq\ldots]$. Now define $\Gamma_{i}$ as the maximal subgraph of $S$ such that $f(\Gamma_{i})\subset\mathfrak{S}_{i}$. The graph $\Gamma_{i}$ has compact boundary for $\mathfrak{S}_{i}$ has compact boundary and by definition $f_{*}[\Gamma_{1}\supset\Gamma_{2}\supset\ldots]=[S_{1}\supseteq S_{2}\supseteq\ldots]$. This proves that $f_{*}$ is a bijection. Now we prove that $f_{*}$ is an homeomorphism. Let $\Gamma$ be a subgraph of $\mathcal{A}(P)$ with compact boundary as before. We define $\Gamma^{*}\coloneqq\\{[\Gamma_{1}\supseteq\Gamma_{2}\supseteq\ldots]\hskip 2.84526pt|\hskip 2.84526pt\Gamma\supseteq\Gamma_{i}\hskip 2.84526pt\text{for i sufficiently big}\\}$ (4) The collection of all $\Gamma^{*}$’s generates the topology of $\mathrm{Ends}(\mathcal{A}(P))$. On the other hand we know from [R] that the topology of $\mathrm{Ends}(S)$ is generated by $U^{*}:=\\{[\hat{S}_{1}\supseteq\hat{S}_{2}\supseteq\ldots]\hskip 2.84526pt|\hskip 2.84526ptU\supseteq\hat{S}_{i}\hskip 2.84526pt\text{for i sufficiently big}\\},$ (5) where $U\subset S$ is an open subset with compact boundary. Clearly $f_{*}\Gamma_{*}=S(\Gamma)^{*}$ , hence $f_{*}$ is open. From [Ray] we know that both $\mathrm{Ends}(\mathcal{A}(P))$ and $\mathrm{Ends}(S)$ are compact Hausdorff topological spaces. Hence $f_{*}$ is an homeomorphism. ∎ ###### Remark 3. We can think of punctures on a surface as planar ends, and hence the preceding result is not true if we allow the surface $S$ to have them. ## 4 Proof of main results. ### 4.1 Injectivity. In this section we will prove the following result: ###### Theorem 5. Let $S$ be an infinite genus surface such that $\mathrm{Ends}(S)=\mathrm{Ends}^{*}(S)$. The natural map: $\Psi_{\mathcal{C}(S)}:{\rm MCG}^{*}(S)\to{\rm Aut}(\mathcal{C}(S))$ (6) is injective. Most of the proof of this theorem will rely in the following lemma and a variant of the Alexander method (see [Farb] for details on this method). ###### Lemma 4.1. Let $S$ be an infinite genus surface possibly with marked points and possibly a finite number of boundary components. Let $\gamma_{1},\ldots,\gamma_{n}$ be a collection of simple closed curves and simple proper arcs in $S$ such that satisfy the three following properties: 1. 1. The $\gamma_{i}$ are in pairwise minimal position. That is, for $i\neq j$, the (geometric) intersection of $\gamma_{i}$ with $\gamma_{j}$ is minimal within their homotopy classes. 2. 2. The $\gamma_{i}$ are pairwise nonisotopic. 3. 3. For distinct $i,j,k$, at least one of $\gamma_{i}\cap\gamma_{j}$, $\gamma_{i}\cap\gamma_{k}$, or $\gamma_{j}\cap\gamma_{k}$ is empty. If $\gamma_{1}^{\prime},\ldots,\gamma_{n}^{\prime}$ is another such collection so that $\gamma_{i}$ is isotopic to $\gamma_{i}^{\prime}$ for each $i$, then there is an isotopy of $S$ that takes $\gamma_{i}^{\prime}$ to $\gamma_{i}$ for all $i$ simultaneously, and hence takes $\cup\gamma_{i}$ to $\cup\gamma_{i}^{\prime}$. A collection of curves $\gamma_{1},\ldots,\gamma_{n}$ satisfying (1)-(3) in the preceding lemma will be called an _Alexander system_ in S. The proof of this lemma is exactly the same as the proof of lemma 2.9 in [Farb]. Proof theorem 5. Let $h:S\rightarrow S$ be an homeomorphism such that $h(\alpha)$ is isotopic to $\alpha$ for all $\alpha\in\mathcal{V}(\mathcal{C}(S))$. For every infinite genus surface such that $\mathrm{Ends}(S)=\mathrm{Ends}^{*}(S)$ we can find a family of compact subsurfaces $\\{K_{i}\\}_{i\in\mathbf{N}}$ such that: * • $S=\bigcup_{i\in\mathbf{N}}K_{i}$, * • $K_{i}\subset K_{j}$ if $i<j$. * • $K_{i}$ has genus at least $3$ for all $i\in\mathbf{N}$. * • $K_{j}\setminus K_{i}$ admits at least one curve nonisotopic to any boundary curve of $K_{j}$ for $i<j$. * • Every boundary component of $K_{i}$ that is not a boundary component of $S$ is an essential separating curve of $S$. For each $i\in\mathbf{N}$ let us write $\partial K_{i}$ for the boundary of $K_{i}$, $\partial_{S}K_{i}$ for all curves in $\partial K_{i}$ that are part of the boundary of $S$ and $\partial_{i}K_{i}$ for $\partial K_{i}\setminus\partial_{S}K_{i}$. Given such a family $\\{K_{i}\\}_{i\in\mathbb{N}}$ of compact subsurfaces we can find $\\{\Gamma_{i}\\}_{i\in\mathbb{N}}$ a collection of finite subsets of $\mathcal{V}(\mathcal{C}(S))$ such that: * • Every boundary component of $K_{i}$ that is not a boundary component of $S$, is in $\Gamma_{j}$ for $i<j$ and is disjoint from every other curve in $\cup_{i\in\mathbf{N}}\Gamma_{i}$. * • $\Gamma_{0}$ fills $K_{0}$ and $\Gamma_{j}\setminus\Gamma_{j-1}$ fills $K_{j}\setminus K_{j-1}$ for all $j>0$. In addition $\Gamma_{i}\subset\Gamma_{j}$ for $i<j$. * • If we cut $K_{j}\setminus K_{i}$ along $\Gamma_{j}\setminus\Gamma_{i}$ we obtain either discs or annuli with one boundary component in $\partial K_{k}$, for $i<j$ and some $k$ with $i\leq k\leq j$. * • For all $\gamma\in(\Gamma_{j}\backslash\Gamma_{i})$ and $\gamma^{\prime}\in\Gamma_{i}$, we have that $i(\gamma,\gamma^{\prime})=0$. Moreover, if we define for each $i\in\mathbf{N}$ $\Gamma_{i}^{\prime}=\Gamma_{i}\cup\partial_{i}K_{i}$ (7) then, for all $\gamma\in(\Gamma_{j}\backslash\Gamma_{i}^{\prime})$ and $\gamma^{\prime}\in\Gamma_{i}^{\prime}$ we have $i(\gamma,\gamma^{\prime})=0$. * • Both $\Gamma_{i}$ and $\Gamma_{i}^{\prime}$ are Alexander systems in $S$. Figure 2 shows an example of $\\{K_{i}\\}_{i\in\mathbf{N}}$ and its corresponding $\\{\Gamma_{j}\\}_{j\in\mathbf{N}}$. $K_{0}$$K_{1}$ Figure 2: Example for $K_{0},K_{1},\ldots$ and $\Gamma_{0},\Gamma_{1},\ldots$. ###### Lemma 4.2. There exist homotopies $H_{i}:S\times[0,1]\rightarrow S$ such that: 1. 1. $H_{i}|_{S\times\\{0\\}}$ is the identity for $i\in\mathbf{N}$. 2. 2. $H_{i}|_{K_{i}\times\\{1\\}}=h|_{K_{i}}$ for $i\in\mathbf{N}$. 3. 3. $H_{i}|_{K_{i}\times[0,1]}=H_{j}|_{K_{i}\times[0,1]}$ for $i<j$. The proof of this lemma is rather technical, the main difficulty being to prove that $H_{i}|_{K_{i}\times[0,1]}=H_{j}|_{K_{i}\times[0,1]}$ for $i<j$. We leave it for later. We will use the lemma to finish the proof of theorem 5. For every $x\in S$ there exist $i\in\mathbf{N}$ such that $x\in K_{i}$ and $x\notin\partial_{i}K_{i}$. Define $H:S\times[0,1]\rightarrow S$ as $H(x,t)=H_{i}(x,t)$. From (3) in the preceding lemma we deduce that $H$ is well-defined. The function $H$ is clearly continuous, $H|_{S\times\\{0\\}}$ is the identity and $H|_{S\times\\{1\\}}=h$. Thus $H$ is an homotopy from the identity to $h$. This, modulo the proof of lemma 4.2, finishes the proof of theorem 5. Proof of lemma 4.2. The idea of the proof is a variant of the Alexander method (see [Farb] for details on this method). By hypothesis, for every $\gamma\in\mathcal{C}(S)$ , the curves $\gamma$ and $h(\gamma)$ are isotopic. Using lemma 4.1 we can assure the existence, for each $i\in\mathbf{N}$, of an isotopy $\tilde{H}_{i}:S\times[0,1]\rightarrow S$, that takes $\gamma$ to $h(\gamma)$ for all $\gamma\in\Gamma_{i}^{\prime}$ simultaneously. Moreover, since for all $\gamma\in(\Gamma_{j}\backslash\Gamma_{i}^{\prime})$ and $\gamma^{\prime}\in\Gamma_{i}^{\prime}$ we have $i(\gamma,\gamma^{\prime})=0$, we can ask $\displaystyle\tilde{H}_{i|\hskip 2.84526pt_{\Gamma_{i}^{\prime}\times[0,1]}}=\tilde{H}_{j|\hskip 2.84526pt_{\Gamma_{i}^{\prime}\times[0,1]}},\hskip 22.76219pt\text{for $i<j$}.$ (8) In other words, the homotopies can be chosen so that $\tilde{H}_{i}$ moves the curves in $\Gamma_{i}^{\prime}$ at exactly the same time as $\tilde{H}_{j}$ moves the curves in $\Gamma_{i}^{\prime}$ for $i<j$. Let us define $f_{i}:={H}_{i|S\times\\{1\\}}$. Remark that $h^{-1}\circ f_{i}$ fixes all the points in $\Gamma_{i}^{\prime}$. On the other hand, $h$ has to be orientation- preserving, since otherwise for every compact subsurface $S^{\prime}\hookrightarrow S$ we could find an homeomorphism that reverses orientation and at the same time acts trivially on $\mathcal{C}(S^{\prime})$, which is not possible if $S^{\prime}$ has genus bigger than 3 and at least one boundary component. Hence $h^{-1}\circ f_{i}$ is orientation-preserving and, by the same argument used by Farb and Margalit (see proof proposition 2.8, p. 62-63, [Farb]), we have that $h^{-1}\circ f_{i}$ sends each connected region in $S\setminus\Gamma_{i}^{\prime}$ to itself. By hypotheses $\Gamma_{0}$ fills $K_{0}$ and $\Gamma_{j}\setminus\Gamma_{j-1}$ fills $K_{j}\setminus K_{j-1}$ for all $j>1$. Hence: $S\setminus\Gamma_{i}^{\prime}=\left(\bigsqcup_{k=1}^{n_{i}}A_{k}\right)\sqcup\left(\bigsqcup_{k=1}^{m_{i}}D_{k}\right)\sqcup S_{i}$ (9) where each $D_{k}$ is homeomorphic to a disc, each $A_{k}$ is homeomorphic to an annulus and $S_{i}=S\setminus K_{i}$ is an infinite genus surface. Furthermore: 1. 1. The boundary of each disc $D_{k}$ is formed by segments contained in $\Gamma_{i}$. 2. 2. The boundary of each annulus $A_{k}$ is either contained in $\Gamma_{i}^{\prime}$ or one of its connected components is also a connected component of the boundary of $S$. From Alexander’s lemma, we deduce that $h^{-1}\circ f_{i}$ restricted to $D_{k}$ is isotopic to $Id_{|D_{k}}$. When $A_{k}$ shares a boundary component with $S$, the restriction of $h^{-1}\circ f_{i}$ to $A_{k}$ is isotopic to the identity, for we are allowed to perform isotopies on $A_{k}$ that do not fix the boundary of $S$ pointwise. Finally, when $A_{k}$ shares no boundary component with the boundary of $S$ the restriction of $h^{-1}\circ f_{i}$ to $A_{k}$ is also isotopic to the identity for else this restriction will be a non-trivial Dehn twist and we could then find a curve $\gamma\in\mathcal{C}(S)$ intersecting the interior of $A_{k}$ which is not fixed by $h^{-1}$. From this three facts we conclude that $h^{-1}\circ f_{i}$ is isotopic to the identity in $K_{i}$ and hence $f_{i}$ is isotopic to $h$ in $K_{i}$. The composition of these two isotopies form the desired isotopy $H_{i}$.∎ ### 4.2 Rigidity. In this section we give the proof of theorem 2 and corollary 1. This requires some auxiliary facts and lemmas, that we state and prove in the following paragraphs. Through this section $S_{1}$ and $S_{2}$ will denote (connected) infinite genus surfaces with a finite number of boundary components and $\phi:\mathcal{C}(S_{1})\rightarrow\mathcal{C}(S_{2})$ an isomorphism. We remark that the image via $\phi$ of any pants decomposition of $S_{1}$ is a pants decomposition of $S_{2}$. Moreover, if $P$ is a pants decomposition of $S_{1}$, then $\alpha,\beta\in P$ are adjacent with respect to $P$ if and only if $\phi(\alpha)$ and $\phi(\beta)$ are adjacent with respect to $\phi(P)$. The sufficiency of this statement can be found in [shackleton] and the necessity follows from the fact that we are dealing with an isomorphism of the curve complex. Therefore $\phi:\mathcal{C}(S_{1})\rightarrow\mathcal{C}(S_{2})$ induces a map $\varphi:\mathcal{A}(P)\rightarrow\mathcal{A}(\phi(P))$ (10) as follows: $\alpha\mapsto\varphi(\alpha):=\phi(\alpha)$. Moreover, $\varphi$ is an isomorphism. For this reason cut points of $\mathcal{A}(P)$ go to cut points under $\phi$ and this isomorphism sends: 1. 1. Non-outer separating curves to non-outer separating curves. 2. 2. Nonseparating curves to nonseparating curves. 3. 3. Outer curves to outer curves. The proof of (1) and (2) can be found in [shackleton], where as (3) follows from (1), (2) and the fact that $\phi$ is an isomorphism. The following lemmas can be deduced from the work of Irmak (see [Irmak]), but since we use them several times later, we present elementary and simple proofs. ###### Lemma 4.3. Let $S_{1}$ and $S_{2}$ be infinite genus surfaces and let $\phi:\mathcal{C}(S_{1})\rightarrow\mathcal{C}(S_{2})$ be an isomorphism. If $\alpha$, $\beta$ and $\gamma$ are curves that bound a pair of pants on $S_{1}$, then their images bound a pair of pants on $S_{2}$. ###### Proof. If $\alpha\neq\beta=\gamma$, then $\beta$ cannot be an outer curve and hence its image is not an outer curve. Also, in any pants decomposition $P$ the curve $\beta$ will have degree one as a vertex of $\mathcal{A}(P)$. Hence $\phi(\beta)$ will also have degree one as vertex of $\mathcal{A}(\phi(P))$, given that (10) is an isomorphism. Then, the only option left is for $\beta$ to be the boundary of a pair of pants twice, as in the option of the left in figure 3. Therefore $\phi(\alpha)$ and $\phi(\beta)=\phi(\gamma)$ bound a pair of pants on $S_{2}$. $v$$u$$v$$u$ Figure 3: The two options for $\deg(v)=1$. It is impossible to bound a pair of pants using two separating curves and one nonseparating curve. Hence, if $\alpha\neq\beta\neq\gamma\neq\alpha$, we only have the following cases according to the number of separating curves: 1. 1. Three separating curves. In this case, $\phi(\alpha)$, $\phi(\beta)$ and $\phi(\gamma)$ are three different separating curves, since separating curves go to separating curves as mentioned before. If these curves did not bound a pair of pants on $S_{2}$ we would have a pair of pants bounded by $\phi(\alpha)$ and $\phi(\beta)$ but not bounded by $\phi(\gamma)$, another pair of pants bounded by $\phi(\beta)$ and $\phi(\gamma)$ but not bounded by $\phi(\alpha)$ and another pair of pants bounded by $\phi(\gamma)$ and $\phi(\alpha)$ but not bounded by $\phi(\beta)$, as in figure 4. But then none of these curves would be separating, leading us to a contradiction. Hence, $\phi(\alpha)$, $\phi(\beta)$ and $\phi(\gamma)$ bound a pair of pants on $S_{2}$. 2. 2. One separating curve. Let $\alpha$ and $\gamma$ be nonseparating curves and let $\beta$ be a separating curve. Then $\phi(\alpha)$ and $\phi(\gamma)$ are nonseparating curves and $\phi(\beta)$ is a separating curve, given the properties of $\phi$ mentioned before. If these curves did not bound a pair of pants on $S_{2}$, we would have a pair of pants bounded by $\phi(\alpha)$ and $\phi(\beta)$ but not bounded by $\phi(\gamma)$, another pair of pants bounded by $\phi(\beta)$ and $\phi(\gamma)$ but not bounded by $\phi(\alpha)$, but since $\phi(\beta)$ is a separating curve there cannot exist a pair of pants bounded by both $\phi(\alpha)$ and $\phi(\gamma)$, given that they are on different connected components of $S_{2}\backslash\\{\phi(\beta)\\}$, which leads us to a contradiction ($\phi(\alpha)$ and $\phi(\gamma)$ must be adjacent). Then $\phi(\alpha)$, $\phi(\beta)$ and $\phi(\gamma)$ bound a pair of pants on $S_{2}$. 3. 3. Three nonseparating curves. Given that $\alpha$, $\beta$ and $\gamma$ are nonseparating curves, we can always find a pants decomposition $P$ such that all their neighbours in $\mathcal{A}(P)$ are nonseparating, $\alpha$ and $\beta$ have degree three in $\mathcal{A}(P)$, $\gamma$ has degree four in $\mathcal{A}(P)$ and $\alpha$ and $\gamma$ only have one common neighbour $\beta$ in $\mathcal{A}(P)$. For an example consider figure 5. Then, $\phi(\alpha)$ and $\phi(\beta)$ have degree three, $\phi(\gamma)$ has degree four, and all their neighbours are nonseparating. If $\phi(\alpha)$, $\phi(\beta)$ and $\phi(\gamma)$ do not bound a pair of pants on $S_{2}$ then there exist a pair of pants bounded by $\phi(\alpha)$, $\phi(\beta)$ and $\delta_{1}\neq\phi(\gamma)$, another pair of pants bounded by $\phi(\beta)$, $\phi(\gamma)$ and $\delta_{2}\neq\phi(\alpha)$, and another pair of pants bounded by $\phi(\alpha)$, $\phi(\gamma)$ and $\delta_{3}\neq\phi(\beta)$. Since $\phi(\beta)$ is the only common neighbour of $\phi(\alpha)$ and $\phi(\gamma)$, then $\delta_{3}$ is not an essential curve, which means it is isotopic to a boundary component, but this leads us to a contradiction, since $\phi(\gamma)$ would then have degree at most $3$. $\phi(\gamma)$$\phi(\alpha)$$\phi(\beta)$$\delta_{3}$$\delta_{2}$$\delta_{1}$ Figure 4: If $\phi(\alpha)$, $\phi(\beta)$ and $\phi(\gamma)$ do not bound a pair of pants. $\alpha$$\gamma$$\beta$ Figure 5: Three nonseparating curves bounding a pair of pants. ∎ ###### Remark 4. If $P$ is a pants decomposition and $\alpha\in P$ is a nonseparating curve of degree $2$ in $\mathcal{A}(P)$ such that its neighbours are also nonseparating curves, then $\alpha$ forms part of two peripheral pairs, namely one with each neighbour (otherwise either of its neighbours or $\alpha$ itself would become separating). ###### Lemma 4.4. Let $S_{1}$ and $S_{2}$ be infinite genus surfaces and let $\phi:\mathcal{C}(S_{1})\rightarrow\mathcal{C}(S_{2})$ be an isomorphism. If $\alpha$ and $\beta$ form a peripheral pair, then their images form a peripheral pair. In particular, $S_{1}$ and $S_{2}$ have the same number of boundary components. ###### Proof. If $S_{1}$ admits at least $2$ peripheral pairs such that their curves are pairwise disjoint as in figure 6, then we can always find a pants decomposition $P$ of $S_{1}$ such that all the neighbours of $\beta$ are nonseparating, $\deg(\alpha)=3$ and $\deg(\beta)=2$. Then all the neighbours of $\phi(\beta)$ are nonseparating, and $\phi(\beta)$ has degree $2$, hence it has to form a peripheral pair with $\phi(\alpha)$ by the previous remark. If for any two peripheral pairs in $S_{1}$ at least one curve of each pair intersect each other, we can always find a pants decomposition $P$ of $S_{1}$ such that all the neighbours of $\alpha$ and $\beta$ are nonseparating, $\deg(\alpha)=\deg(\beta)=3$, and there is only one pair of pants in $S_{1}\backslash P$ that is bounded by $\alpha$ and $\beta$ at the same time, namely the one formed by $\alpha$ and $\beta$ being a peripheral pair. Then $\phi(P)$ is a pants decomposition with all the neighbours of $\phi(\alpha)$ and $\phi(\beta)$ being nonseparating, $\deg(\phi(\alpha))=\deg(\phi(\beta))=3$ and there exists a pair of pants in $S_{2}$ bounded by $\phi(\alpha)$, $\phi(\beta)$ and $\delta$. Due to lemma 4.3 applied to $\phi$ and $\phi^{-1}$, $\delta$ cannot be an essential curve different to both $\phi(\alpha)$ and $\phi(\beta)$, but if $\delta=\phi(\alpha)$ or $\delta=\phi(\beta)$ then either $\phi(\beta)$ of $\phi(\alpha)$, respectively, becomes separating. Then $\delta$ is isotopic to a boundary component and so, $\phi(\alpha)$ and $\phi(\beta)$ form a peripheral pair. This result implies that $S_{2}$ has at least as many boundary components as $S_{1}$, and applying the same result to $\phi^{-1}$ we get that they have the same number of boundary components, even if this number is infinite. ∎ $\beta$$\alpha$ Figure 6: Example of a convenient pants decomposition. Proof of theorem 2. Let $P$ be a pants decomposition of $S_{1}$. From the fact that (10) is an isomorphism and theorem 4 we have $\mathrm{Ends}(S_{1})\cong\mathrm{Ends}(\mathcal{A}(P))\cong\mathrm{Ends}(\mathcal{A}(\phi(P)))\cong\mathrm{Ends}(S_{2})$. From the surface classification theorem for infinite surfaces by Richards, Prishlyak and Mischenko in [Ray] and [PM], it is sufficient to prove that $S_{1}$ and $S_{2}$ have the same number of boundary components to guarantee that they are homeomorphic. But this is guaranteed by lemma 4.4.∎ ###### Remark 5. Theorem 2 cannot be extended for infinite genus surfaces with punctures. Indeed, let $S$ be an infinite genus surface with $n>0$ boundary components and without planar ends. Let $S^{\prime}$ be the infinite genus surface obtained from $S$ by glueing one punctured disc to $S$ along a boundary component. Clearly $S$ and $S^{\prime}$ are not homeomorphic, but $\mathcal{C}(S)\cong\mathcal{C}(S^{\prime})$. Proof of corollary 1. The statement is immediate for all arguments given in the proof of theorem 2 remain valid if we change $\mathcal{C}(S)$ for $\mathcal{N}(S)$ and take all pants decompositions to be formed just by nonseparating curves. ∎ ### 4.3 Surjectivity. At the end of this section we give a proof for theorem 1. We begin by proving the following theorems: ###### Theorem 6. Let $S$ be an infinite genus surface. Then $\mathrm{Aut}(\mathcal{G}(S))\cong\mathrm{Aut}(\mathcal{N}(S))$. ###### Theorem 7. Let $S$ be an infinite genus surface such that $\mathrm{Ends}(S)=\mathrm{Ends}^{*}(S)$. The natural map: $\Psi_{\mathcal{G}(S)}:{\rm MCG}^{*}(S)\to{\rm Aut}(\mathcal{G}(S))$ (11) is surjective. This two results imply that the natural map: $\Psi_{\mathcal{N}(S)}:{\rm MCG}^{*}(S)\to{\rm Aut}(\mathcal{N}(S))$ (12) is surjective. Using the surjectivity of this map, we can deduce the following: ###### Theorem 8. Let $S$ be an infinite genus surface such that $\mathrm{Ends}(S)=\mathrm{Ends}^{*}(S)$. The natural map: $\Psi_{\mathcal{C}(S)}:{\rm MCG}^{*}(S)\to{\rm Aut}(\mathcal{C}(S))$ (13) is surjective. #### 4.3.1 Proof of theorems 6 and 7. The proofs of theorems 6 and 7 require some auxiliary lemmas given in [Irmak] and [Sch] but adapted to the context of infinite type surfaces. When the proofs of these lemmas can be easily deduced from the cited works we just state them without a proof. When this is not the case elementary and simple proofs are provided. We recall first the different components that a curve might have. ###### Definition 4.5 (Curve components). Let $\alpha$ and $\beta$ be nonseparating curves such that $i(\alpha,\beta)\geq 2$. Let $\beta_{1}$ be a connected component of $\beta$ in $S_{\alpha}$. If the surface resulting from cutting $S_{\alpha}$ along $\beta_{1}$ is connected, then $\beta_{1}$ is called a nonseparating component of $\beta$ (with respect to $\alpha$). Otherwise, $\beta_{1}$ is called a separating component of $\beta$ (with respect ot $\alpha$). If $\beta_{1}$ connects the two different boundary components of $S_{\alpha}$ induced by $\alpha$, then $\beta_{1}$ is called a two-sided component. Otherwise it is called one-sided. ###### Lemma 4.6. [Sch] Let $S$ be an infinite genus surface and $\alpha,\beta\in\mathcal{V}(\mathcal{N}(S))$ such that $i(\alpha,\beta)\geq 2$. If $\beta$ has a nonseparating component $\beta_{1}$ with respect to $\alpha$, then there exists $\gamma,\gamma^{\prime}\in\mathcal{V}(\mathcal{N}(S))\backslash\\{\alpha,\beta\\}$ such that $N(\alpha,\beta)\subset(N(\gamma)\cup N(\gamma^{\prime}))$. Moreover, if $\beta_{1}$ is one-sided, then $\alpha,\gamma,\gamma^{\prime}$ are mutually disjoint; if $\beta_{1}$ is two-sided, then $\\{\alpha,\gamma,\gamma^{\prime}\\}$ is a triple with $i(\alpha,\beta)=i(\beta,\gamma)+i(\beta,\gamma^{\prime})$ and $\min\\{i(\beta,\gamma),i(\beta,\gamma^{\prime})\\}>0$. ###### Lemma 4.7. _[_Ibid._]_ Let $S_{1}$ and $S_{2}$ be infinite genus surfaces and let $\phi:\mathcal{G}(S_{1})\rightarrow\mathcal{G}(S_{2})$ be an isomorphism. Then for any disjoint curves $\alpha$ and $\beta$, their images under $\phi$ will also be disjoint. Proof theorem 6. Let $\phi\in\mathrm{Aut}(\mathcal{N}(S))$. Since any automorphism of $\mathcal{N}(S)$ (and $\mathcal{G}(S)$ respectively) is uniquely determined by the function on its vertices and $\mathcal{V}(\mathcal{N}(S))=\mathcal{V}(\mathcal{G}(S))$, then $\phi$ induces a bijection $\phi^{*}:\mathcal{G}(S)\rightarrow\mathcal{G}(S)$. From the work of Irmak [Irmak] on the characterization of two curves that intersect once, one can deduce that if $S_{1}$ and $S_{2}$ are infinite genus surfaces, and $\phi_{1}:\mathcal{C}(S_{1})\rightarrow\mathcal{C}(S_{2})$ and $\phi_{2}:\mathcal{N}(S_{1})\rightarrow\mathcal{N}(S_{2})$ are isomorphisms, then for any curves $\alpha_{1}$ and $\alpha_{2}$ such that $i(\alpha_{1},\alpha_{2})=1$ we have that $i(\phi_{1}(\alpha_{1}),\phi_{1}(\alpha_{2}))=i(\phi_{2}(\alpha_{1}),\phi_{2}(\alpha_{2}))=1$. This fact applied to $\phi$ and $\phi^{-1}$ implies that $\phi^{*}$ must preserve adjacency and non-adjacency. Hence we can define the function $\Phi:\mathrm{Aut}(\mathcal{N}(S))\rightarrow\mathrm{Aut}(\mathcal{G}(S))$ (14) as $\phi\mapsto\phi^{*}$. This function is clearly an injective group homomorphism. In the same way, for any automorphism of $\mathcal{G}(S)$ we can induce a bijection from $\mathcal{N}(S)$ to itself, and due to lemma 4.7 this bijection will become an automorphism of $\mathcal{N}(S)$. Therefore $\Phi$ is an isomorphism. ∎ ###### Remark 6. From the proof of theorem 6 and the proof of corollary 1 we conclude that the statements of lemmas 4.3 and 4.4 remain valid if we change $\mathcal{C}(S)$ for $\mathcal{G}(S)$. The following four lemmas are used in the proof of theorem 7. Let us recall first the notion of triple of curves. ###### Definition 4.8 (Triples of curves). Let $\alpha$, $\beta$ and $\gamma$ be nonseparating curves of $S$. We will say $\\{\alpha,\beta,\gamma\\}$ is a triple if $i(\alpha,\beta)=i(\alpha,\gamma)=i(\beta,\gamma)=1$ and there exists a subsurface of $S$ which contains $\alpha$, $\beta$ and $\gamma$, and is homeomorphic to a torus with one boundary component. ###### Lemma 4.9. Let $S$ be infinite genus surface and $\alpha,\beta\in\mathcal{V}(\mathcal{N}(S))$ be such that $i(\alpha,\beta)\geq 2$. If $\beta$ does not have two-sided components with respect to $\alpha$, then there exists $\gamma,\gamma^{\prime}\in\mathcal{V}(\mathcal{N}(S))\backslash\\{\alpha,\beta\\}$ such that $\\{\alpha,\gamma,\gamma^{\prime}\\}$ is a triple with $i(\alpha,\beta)=i(\beta,\gamma)+i(\beta,\gamma^{\prime})$ and $\min\\{i(\beta,\gamma),i(\beta,\gamma^{\prime})\\}>0$. ###### Proof. Let $\alpha_{1}$ and $\alpha_{2}$ be the boundary components on $S_{\alpha}$ induced by $\alpha$. Since $\beta$ does not have two-sided components then it only has one-sided components and therefore we can choose a curve $\gamma$ that intersects $\alpha$ once, does not intersect any one sided component of $\beta$ based on $\alpha_{1}$ and intersects $\beta$ in such a way that $0<i(\gamma,\beta)\leq\frac{1}{2}i(\alpha,\beta)$. This can be done by drawing $\gamma$ disjoint from every one-sided component of $\beta$ based on $\alpha_{1}$, we keep on going “following” a convenient one-sided component of $\beta$ based on $\alpha_{2}$ until before we reach $\alpha_{2}$, then we intersect $\alpha_{2}$ in the corresponding point seeking the desired inequality. See figure 7 for examples. $\beta$$\gamma$$\beta$$\beta$$\gamma$$\beta$ Figure 7: Examples of $\beta$ and $\gamma$ in $S_{\alpha}$ Then let $N$ be a regular neighbourhood of $\alpha$ and $\gamma$; since $i(\alpha,\gamma)=1$ then $N$ is homeomorphic to a torus with one boundary component. Let $\gamma^{\prime}$ be the image of $\gamma$ under a Dehn twist along $\alpha$ on $N$. See figure 8 for the corresponding diagram. $\alpha$$\gamma$$\alpha$$\gamma^{\prime}$$\beta$ Figure 8: Diagram of $N$. Thus $\\{\alpha,\gamma,\gamma^{\prime}\\}$ form a triple and by construction $i(\beta,\gamma^{\prime})=i(\alpha,\beta)-i(\beta,\gamma)$, with both curves intersecting $\beta$ at least once. ∎ ###### Lemma 4.10. Let $S$ be an infinite genus surface and let $\phi:\mathcal{G}(S)\rightarrow\mathcal{G}(S)$ be an automorphism. Then $i(\alpha,\beta)=i(\phi(\alpha),\phi(\beta))$ for all $\alpha,\beta\in\mathcal{V}(\mathcal{G}(S))$. ###### Proof. Let $\alpha,\beta\in\mathcal{V}(\mathcal{G}(S))$. If $i(\alpha,\beta)=0$, then due to lemma 4.7 we have that $i(\phi(\alpha),\phi(\beta))=0$. If $i(\alpha,\beta)=1$, then due to $\phi$ being an automorphism $i(\phi(\alpha),\phi(\beta))=1$. For $i(\alpha,\beta)\geq 2$, we will proceed by induction on the geometric intersection number. Let us suppose the geometric intersection number is preserved under automorphisms for curves which intersect at most $k$ times for a $k\geq 1$. Let $i(\alpha,\beta)=k+1$. Due to lemmas 4.6 and 4.9, we know there exists $\gamma,\gamma^{\prime}\in\mathcal{V}(\mathcal{G}(S))\backslash\\{\alpha,\beta\\}$ such that $\\{\alpha,\gamma,\gamma^{\prime}\\}$ is a triple, $i(\alpha,\beta)=i(\beta,\gamma)+i(\beta,\gamma^{\prime})$ and $\min\\{i(\beta,\gamma),i(\beta,\gamma^{\prime})\\}>0$. Since $i(\beta,\gamma),i(\beta,\gamma^{\prime})<k+1$, then $i(\beta,\gamma)=i(\phi(\beta),\phi(\gamma))$ and $i(\beta,\gamma^{\prime})=i(\phi(\beta),\phi(\gamma^{\prime}))$. From the work of Schmutz [_Ibid_.] one can deduce that if $S$ is an infinite genus surface and $\phi:\mathcal{G}(S)\rightarrow\mathcal{G}(S)$ an automorphism, then for every triple $\\{\alpha,\beta,\gamma\\}$ we have that $\\{\phi(\alpha),\phi(\beta),\phi(\gamma)\\}$ form a triple. Therefore $\\{\phi(\alpha),\phi(\gamma),\phi(\gamma^{\prime})\\}$ form a triple. Using a diagram of the torus with one boundary component which contains this triple (see figure 8), we can see that each time $\phi(\beta)$ intersects $\phi(\alpha)$ then either $\phi(\beta)$ intersects $\phi(\gamma)$ or $\phi(\beta)$ intersects $\phi(\gamma^{\prime})$. Therefore $i(\phi(\beta),\phi(\gamma))+i(\phi(\beta),\phi(\gamma^{\prime}))\geq i(\phi(\alpha),\phi(\beta))$. Thus $i(\alpha,\beta)\geq i(\phi(\alpha),\phi(\beta))$. Applying the same argument on $\phi^{-1}$ we obtained the symmetric inequality, therefore $i(\alpha,\beta)=i(\phi(\alpha),\phi(\beta))$. ∎ ###### Lemma 4.11. Let $S$ be an infinite genus surface and let $\phi:\mathcal{G}(S)\rightarrow\mathcal{G}(S)$ be an automorphism. If $P$ is a pants decomposition of $S$, then there exist an homeomorphism $h\in\mathrm{MCG}^{*}(S)$ such that $h(\alpha)=\phi(\alpha)$ for all $\alpha\in P$. ###### Proof. From remark 6, we know that $\phi(P)$ is a pants decomposition and the boundaries of pair of pants in $S_{\phi(P)}$ induced by curves of $\phi(P)$ are boundaries of pair of pants in $S_{P}$ induced by curves of $P$. Then we can define an homeomorphism of $S$ by parts using homeomorphisms from the connected components of $S_{P}$ to the corresponding connected components of $S_{\phi(P)}$; this homeomorphism by construction will agree with $\phi$ for every element in $P$. ∎ ###### Remark 7. It is clear, using theorem 6, that this lemma remains valid if we substitute $\mathcal{G}(S)$ by $\mathcal{N}(S)$. ###### Lemma 4.12. [Sch] Let $S^{\prime}$ be a surface of genus zero and four boundary components. Let $\alpha,\beta\in\mathcal{V}(\mathcal{C}(S^{\prime}))$ with $i(\alpha,\beta)=2$. 1. 1. Let $\gamma\in\mathcal{V}(\mathcal{C}(S^{\prime}))$ such that $i(\alpha,\gamma)=2$. Then there exists $h\in\mathrm{MCG}^{*}(S^{\prime})$ such that $h(\alpha)=\alpha$ and $h(\beta)=\gamma$. 2. 2. There are exactly two curves $\gamma_{1},\gamma_{2}\in\mathcal{V}(\mathcal{C}(S^{\prime}))$ such that $i(\alpha,\gamma_{i})=i(\beta,\gamma_{i})=2$ for $i=1,2$. Moreover, there exists $h\in\mathrm{MCG}^{*}(S^{\prime})$ such that $h(\alpha)=\alpha$, $h(\beta)=\beta$, and $h(\gamma_{1})=\gamma_{2}$. ###### Remark 8. The homeomorphism of part (1) in the preceding lemma is just a Dehn twist about $\alpha$, where as the homeomorphism from part (2) is an orientation- reversing involution that leaves invariant each connected component in the boundary of $S_{0,4}$. The proof theorem 7 uses the notion of Dehn-Thurston coordinates. Therefore we recall it and discuss it briefly in the context of infinite surfaces in the following paragraphs. ###### Definition 4.13 (Dehn-Thurston coordinates). A Dehn-Thurston coordinates system of curves is a set $D$ of curves that parametrize every curve $\alpha\in\mathcal{V}(\mathcal{C}(S))$ using the geometric intersection number, i.e. for $\alpha,\beta\in\mathcal{V}(\mathcal{C}(S))$ if $i(\alpha,\gamma)=i(\beta,\gamma)$ for all $\gamma\in D$, then $\alpha=\beta$. For compact surface, it is well known that Dehn-Thurston coordinate systems exist, see [HP]. For noncompact surfaces such a system of curves can be realized in the following way. Let $\\{\alpha_{i}\\}_{i\in\mathbf{N}}$ be a pants decomposition, $\\{\beta_{i}\\}_{i\in\mathbf{N}}$ be curves such that $i(\alpha_{i},\beta_{i})=2$ and $i(\alpha_{i},\beta_{j})=0$ for $i\neq j$, and $\\{\gamma_{i}\\}_{i\in\mathbf{N}}$ be curves such that $i(\alpha_{i},\gamma_{i})=i(\beta_{i},\gamma_{i})=2$ and $i(\alpha_{i},\gamma_{j})=0$ for $i\neq j$. Then the set of curves $D$ formed by the union of elements in $\\{\alpha_{i}\\}_{i\in\mathbf{N}}$, $\\{\beta_{i}\\}_{i\in\mathbf{N}}$ and $\\{\gamma_{i}\\}_{i\in\mathbf{N}}$ is a Dehn-Thurston coordinate system. Indeed, any curve $\delta$ in $S$ will only intersect finitely many curves in $D$, hence we can take any compact subsurface $S^{\prime}$, such that it contains $\delta$ and there is a (finite) subset $D^{\prime}$ of $D$ that is a Dehn-Thurston coordinate system of $S^{\prime}$. Any other curve in $S$ with the same Dehn-Thurston coordinates as $\delta$ on the system $D$, would have to be isotopic to a curve contained in $S^{\prime}$ and thus would have the same Dehn-Thurston coordinates as $\delta$ on the system $D^{\prime}$, therefore it would be isotopic to $\delta$. We must remark that, when $S$ is an infinite genus surface such that $\mathrm{Ends}(S)=\mathrm{Ends}^{*}(S)$, we can also construct the Dehn-Thurston coordinate system $D$ with families $\\{\alpha_{i}\\}_{i\in\mathbf{N}}$, $\\{\beta_{i}\\}_{i\in\mathbf{N}}$ and $\\{\gamma_{i}\\}_{i\in\mathbf{N}}$ formed exclusively by nonseparating curves. Proof theorem 7. Given that $\mathrm{Ends}(S)=\mathrm{Ends}^{*}(S)$ we can construct $P=\\{\alpha_{i}\\}_{i\in\mathbf{N}}$ a pants decomposition of $S$ formed by nonseparating curves. Let $\phi:\mathcal{G}(S)\to\mathcal{G}(S)$ an automorphism. Due to lemma 4.11 there exists an homeomorphism $h_{1}:S\rightarrow S$ such that $h_{1}(\alpha_{i})=\phi(\alpha_{i})$ for all $\alpha_{i}\in P$. Again, since $\mathrm{Ends}(S)=\mathrm{Ends}^{*}(S)$ we can construct $\\{\beta_{i}\\}_{i\in\mathbf{N}}$ a collection of nonseparating curves such that $i(\alpha_{i},\beta_{i})=2$ for all $i$ and $i(\alpha_{i},\beta_{j})=0$ for $i\neq j$. We can define an homeomorphism $h_{2}:S\rightarrow S$ such that $h_{2}(h_{1}(\alpha_{i}))=h_{1}(\alpha_{i})=\phi(\alpha_{i})$ and $h_{2}(h_{1}(\beta_{i}))=\phi(\beta_{i})$ in the following way. For every $i\in\mathbf{N}$ the curves $\alpha=h_{1}(\alpha_{i})$, $\beta=h_{1}(\beta_{i})$ and $\gamma=\phi(\beta_{i})$ satisfy the hypotheses of part (1) in lemma 4.12 and lie in a subsurface $S_{i}$ homeomorphic to $S_{0,4}$ that does not contain any element in $h_{1}(P)\backslash\\{h(\alpha_{i})\\}$, $S_{i}$ contains $h_{1}(\beta_{i})$ and $\phi(\beta_{i})$, and its boundary components are isotopic to the curves adjacent to $h_{1}(\alpha_{i})$ with respect to $h_{1}(P)$. Let $h_{2,i}:S_{i}\rightarrow S_{i}$ be the homeomorphism from $(1)$ in lemma 4.12. This homeomorphism is just a Dehn twist about $\alpha$, therefore it preserves orientation and its support $K_{i}\subset S_{i}$ satisfies that $K_{i}\cap K_{j}=\emptyset$ for $i\neq j$ for all $i,j\in\mathbf{N}$. Hence $h_{2}$ can be defined by parts using $\\{h_{2,i}\\}_{i\in\mathbf{N}}$. Let $\\{\gamma_{i}\\}_{i\in\mathbf{N}}$ be a collection of curves such that $i(\alpha_{i},\gamma_{i})=i(\beta_{i},\gamma_{i})=2$ and $i(\alpha_{i},\gamma_{j})=0$ for $i\neq j$. We can define an homeomorphism $h_{3}:S\rightarrow S$ such that $h_{3}(h_{2}(h_{1}(\alpha_{i})))=h_{2}(h_{1}(\alpha_{i})=\phi(\alpha_{i})$, $h_{3}(h_{2}(h_{1}(\beta_{i})))=h_{2}(h_{1}(\beta_{i}))=\phi(\beta_{i})$ and $h_{3}(h_{2}(h_{1}(\gamma_{i})))=\phi(\gamma_{i})$ in the following way. For every $i\in\mathbf{N}$, let now $\alpha=h_{1}(h_{2}(\alpha_{i}))$, $\beta=h_{1}(h_{2}(\beta_{i}))$, $\gamma_{1}=h_{1}(h_{2}(\gamma_{i}))$ and $\gamma_{2}=\phi(\gamma_{i})$. Analogously to the preceding case, these curves satisfy the hypotheses of part (2) in lemma 4.12. Let $h_{3,i}:R_{i}\rightarrow R_{i}$ be the (orientation-reversing) homeomorphism from part (2) in lemma 4.12, where $R_{i}$ is homeomorphic to $S_{0,4}$ and contains the curves $\alpha$, $\beta$, $\gamma_{1}$ and $\gamma_{2}$. It is not difficult to see that if $i\neq j$ and $R_{i}\cap R_{j}\neq\emptyset$, then $R_{i,j}=R_{i}\cap R_{j}\cong S_{0,3}$. Moreover $h_{3,i}$ and $h_{3,j}$ coincide in $R_{i,j}$ and hence we can define $h_{3}$ by parts using $\\{h_{3,i}\\}_{i\in\mathbf{N}}$. Let $h=h_{3}\circ h_{2}\circ h_{1}$. Since $P^{\prime}=P\cup\\{\beta_{i}\\}\cup\\{\gamma_{i}\\}$ form a Dehn-Thurston coordinates system of curves, then $h(P^{\prime})$ is a Dehn-Thurston coordinates system of curves, and by construction $h(\varepsilon)=\phi(\varepsilon)$ for all $\varepsilon\in P^{\prime}$. Therefore, due to lemma 4.10, for all $\delta\in\mathcal{V}(\mathcal{G}(S))$ and all $\varepsilon\in P^{\prime}$: $i(\phi(\delta),\phi(\varepsilon))=i(\delta,\varepsilon)=i(h(\delta),h(\varepsilon))=i(h(\delta),\phi(\varepsilon)),$ (15) then $\phi(\delta)=h(\delta)$ for all $\delta\in\mathcal{V}(\mathcal{G}(S))$, which implies $\Psi_{\mathcal{G}(S)}$ is surjective. ∎ ###### Corollary 4. Let $S_{1}$ and $S_{2}$ be infinite genus surfaces, such that $\mathrm{Ends}(S_{i})=\mathrm{Ends}^{*}(S_{i})$ for $i=1,2$ and let $\phi:\mathcal{G}(S_{1})\rightarrow\mathcal{G}(S_{2})$ be an isomorphism. Then $S_{1}$ and $S_{2}$ are homeomorphic and $\phi$ is induced by a mapping class in ${\rm MCG}^{*}(S_{1})$. ###### Proof. Every isomorphism $\phi:\mathcal{G}(S_{1})\rightarrow\mathcal{G}(S_{2})$ induces an isomorphism $\phi:\mathcal{N}(S_{1})\rightarrow\mathcal{N}(S_{2})$. Indeed, take $u,v$ two curves such that $i(u,v)=0$. Suppose $i(\phi(u),\phi(v))\geq 2$ and remark that, as in the proof of theorem 7, lemmas 1, 3 and 5 in [Sch] remain valid in the context of this corollary. Hence we obtain a contradiction. On the other hand it is clear that $i(\phi(u),\phi(v))\neq 1$, for $\phi$ is an isomorphism. Hence the only possibility left is that $i(\phi(u),\phi(v))=0$. By corollary 1 we obtain that $S_{1}$ is homemorphic to $S_{2}$. The rest of the proof follows from theorems 1 and 7. ∎ #### 4.3.2 Proof of theorem 8. Any $\phi\in\mathrm{Aut}(\mathcal{C}(S))$ sends nonseparating curves to nonseparating curves, hence $\phi|_{\mathcal{N}(S)}\in\mathrm{Aut}(\mathcal{N}(S))$ and then due to theorem 7 there exists $h\in\mathrm{MCG}^{*}(S)$ such that $\phi|_{\mathcal{N}(S)}(\alpha)=h(\alpha)$ for all $\alpha\in\mathcal{V}(\mathcal{N}(S))$. Hence we only need to check that $\phi$ and $h$ coincide in the separating curves of $S$. Let $\alpha$ be a separating curve of $S$; we consider three cases. 1. 1. If both connected components of $S_{\alpha}$ have positive genus, then we can find a pants decomposition $P$ such that $\alpha\in P$, $(P\backslash\\{\alpha\\})\subset\mathcal{V}(\mathcal{N}(S))$ and $\deg(\alpha)=4$ in $\mathcal{A}(P)$; let $\beta_{1}$, $\gamma_{1}$, $\beta_{2}$ and $\gamma_{2}$ be the neighbours of $\alpha$ in $\mathcal{A}(P)$ such that $\beta_{i}$ and $\gamma_{i}$ are in the same connected component of $S_{\alpha}$ for $i=1,2$. Let also $\delta_{1}$ and $\delta_{2}$ be nonseparating curves such that $i(\alpha,\delta_{i})=0$ and $i(\beta_{i},\delta_{i})=i(\gamma_{i},\delta_{i})=1$ for $i=1,2$. See figure 9 for an example. $\gamma_{1}$$\gamma_{2}$$\beta_{1}$$\beta_{2}$$\delta_{1}$$\delta_{2}$$\alpha$ Figure 9: Catching $\alpha$ in a $S_{0,4}$. By construction and lemma 4.3, $\phi(\alpha)$ and $h(\alpha)$ are contained in the $S_{0,4}$ subsurface bounded by $\phi(\beta_{1})$, $\phi(\gamma_{1})$, $\phi(\beta_{2})$ and $\phi(\gamma_{2})$ (recall that $\phi(\beta_{i})=h(\beta_{i})$ and $\phi(\gamma_{i})=h(\gamma_{i})$ for $i=1,2$ since they are nonseparating curves). Even more, since $i(\alpha,\delta_{i})=0$ for $i=1,2$ then $\phi(\alpha)$ and $h(\alpha)$ must be contained in the annulus formed by cutting the aforementioned $S_{0,4}$ subsurface along the arcs of $\phi(\delta_{i})=h(\delta_{i})$ for $i=1,2$; therefore $\phi(\alpha)=h(\alpha)$. 2. 2. If $\alpha$ is an outer curve, then let $P$ be a pants decomposition such that the peripheral pairs of $P$ bounding the same boundary components as $\alpha$, are consecutive to one another (similar to the proof of lemma 4.4), and $\alpha$ intersects only one curve in $P$ (namely $\beta$); let also $\gamma$ be a nonseparating curve that intersects each curve in the peripheral pairs bounding the same boundary component as $\alpha$ only once while being disjoint from $\alpha$. Figure 10 illustrates this situation. $\beta$$\alpha$$\gamma$ Figure 10: Catching $\alpha$ again in a $S_{0,4}$. Due to $\phi$ being an isomorphism, $\phi(\alpha)$ will intersect $\phi(\beta)$ and be disjoint of every other curve in $P$. Using that and lemma 4.4, we know that $\phi(\alpha)$ and $h(\alpha)$ are contained in the $S_{0,4}$ subsurface bounded by two boundary components of $S$ and the images of the adjacent curves in $\mathcal{A}(P)$ of $\beta$; even more, $\phi(\alpha)$ and $h(\alpha)$ must be contained in the pair of pants resulting from cutting the aforementioned $S_{0,4}$ subsurface that contains them along the arc of $\phi(\gamma)=h(\gamma)$. Since there is only one curve in this pair of pants which is an essential curve of $S$, then $\phi(\alpha)=h(\alpha)$. 3. 3. Let $S_{1}$ and $S_{2}$ be the two connected components of $S_{\alpha}$ and suppose that $S_{1}$ has genus zero and $n^{\prime}\geq 3$ boundary components. We can find the following: a finite sequence $\\{\beta_{i}\\}_{i=1}^{n^{\prime}-1}$ composed of outer curves, such that $i(\beta_{i},\alpha)=0$ for $i=1,\ldots,n^{\prime}-1$, $i(\beta_{i},\beta_{i+1})=2$ for $i=1,\ldots,n^{\prime}-2$ and $i(\beta_{i},\beta_{j})=0$ for $j\notin\\{i-1,i+1\\}$; a pants decomposition $P$ (composed solely of nonseparating curves) of the infinite genus connected component of $S\backslash\\{\alpha\\}$; and finally, a curve $\gamma$ which intersects once the curves $\delta_{1}$ and $\delta_{2}$ forming the peripheral pair that bounds the boundary of $S_{2}$ induced by $\alpha$. Figure 11 illustrates this situation. $\alpha$$\gamma$$\delta_{1}$$\delta_{2}$$\beta_{1}$$\beta_{2}$$\beta_{3}$ Figure 11: Catching $\alpha$ in an annulus. Given that isomorphism of $\mathcal{C}(S)$ send outer curves to outer curves, part $(2)$ of this proof, the fact that $\phi(\alpha)$ and $h(\alpha)$ must both be essential curves and they must be different from every element of $\phi(\\{\beta_{i}\\}_{i=1}^{n^{\prime}})\cup\phi(P)\cup\\{\phi(\gamma)\\}$; we can conclude that $\phi(\alpha)$ and $h(\alpha)$ must be contained in the annulus obtained by cutting $S$ along $\phi(\\{\beta_{i}\\}_{i=1}^{n^{\prime}})\cup\phi(P)\cup\\{\phi(\gamma)\\}$. The boundary components of this annulus are formed by arcs of $\phi(\beta_{i})$ for $i=1,\ldots,n^{\prime}-1$, $\phi(\gamma)$, $\phi(\delta_{1})$ and $\phi(\delta_{2})$. Therefore $\phi(\alpha)=h(\alpha)$. #### 4.3.3 Proof of theorem 1. Theorems 5 and 8 imply that $\Psi_{\mathcal{C}(S)}$ is an isomorphism. From theorem 7 we know that the natural map: $\Psi_{\mathcal{N}(S)}:{\rm MCG}^{*}(S)\to{\rm Aut}(\mathcal{N}(S))$ (16) is surjective. Let us suppose $h_{1},h_{2}\in\mathrm{MCG}^{*}(S)$ are such that $h_{1}\neq h_{2}$ and $\Psi_{\mathcal{N}(S)}(h_{1})=\Psi_{\mathcal{N}(S)}(h_{2})$. Then since $\Psi_{\mathcal{C}(S)}$ is injective we have that $\Psi_{\mathcal{C}(S)}(h_{1})\neq\Psi_{\mathcal{C}(S)}(h_{2})$ even though their restrictions to $\mathcal{N}(S)$ are the same. This implies that $\Psi_{\mathcal{C}(S)}(h_{1})$ and $\Psi_{\mathcal{C}(S)}(h_{2})$ differ in some separating curves. But given that the restrictions of $\Psi_{\mathcal{C}(S)}(h_{1})$ and $\Psi_{\mathcal{C}(S)}(h_{2})$ to $\mathcal{N}(S)$ are the same, we can use the same technique as in the proof of theorem 8, for catching the separating curves in an annulus (or a pair of pants), which means $\Psi_{\mathcal{C}(S)}(h_{1})(\alpha)=\Psi_{\mathcal{C}(S)}(h_{2})(\alpha)$ for every separating curve $\alpha$. Thus we have reached a contradiction and therefore $\Psi_{\mathcal{N}(S)}$ is injective, hence it is an isomorphism. We finish the proof by remarking that $\Psi_{\mathcal{G}(S)}=\Phi\circ\Psi_{\mathcal{N}(S)}$, where $\Phi$ is the isomorphism between $\mathrm{Aut}(\mathcal{N}(S))$ and $\mathrm{Aut}(\mathcal{G}(S))$ defined in (14). ∎ ###### Remark 9. Using theorem 1 we can deduce that, for an infinite genus surface $S$ such that $\mathrm{Ends}(S)=\mathrm{Ends}^{*}(S)$, every automorphism $\varphi$ of ${\rm MCG}^{*}(S)$ sending Dehn twists to Dehn twist must be an inner automorphism. The proof of this fact is taken verbatim from the proof of theorem 2, in [Ivanov]. However, it is still unknown if, as in the compact case, every automorphism of ${\rm MCG}^{*}(S)$ sends Dehn twists to Dehn twists. ## 5 Counterexamples In this section we show that theorem 2 is not valid if the morphism between curve complexes is not an isomorphism. For that, let us first recall the notion of _superinjective map_. ###### Definition 5.1 (Superinjectivity). A simplicial map $f:\mathcal{C}(S_{1})\rightarrow\mathcal{C}(S_{2})$ is called superinjective if for any two vertices $\alpha$ and $\beta$ in $\mathcal{C}(S_{1})$ such that $i(\alpha,\beta)\neq 0$ we have that $i(f(\alpha),f(\beta))\neq 0$. Every superinjective map is injective. For compact surfaces, we have the following theorem concerning superinjective maps. ###### Theorem 9. [Irmak] Let $S$ be a closed, connected, orientable surface of genus at least 3. A simplicial map, $f:\mathcal{C}(S)\to\mathcal{C}(S)$, is superinjective if and only if $f$ is induced by an homeomorphism of $S$. The following lemma shows that this result is not true for a large class of surfaces of infinite genus and, in this sense, theorem 2 is optimal. ###### Lemma 5.2. Let $S$ be a surface such that $\mathrm{Ends}^{*}(S)\neq\emptyset$. Then there exist a simplicial superinjective map $f:\mathcal{C}(S)\to\mathcal{C}(S)$ which is not surjective. ###### Proof. This proof makes reference to figure 12. Let $\alpha\in\mathcal{V}(\mathcal{C}(S))$ be a separating curve. Without loss of generality we can think that $\alpha$ is contained in a subsurface $S_{i}$ in $[S_{1}\supseteq S_{2}\supseteq\ldots]\in\mathrm{Ends}^{*}(S)$ where $i$ is large enough. $\alpha$$\beta$$\beta^{\prime}$$\alpha$$\gamma$$f(\beta)$$f(\beta^{\prime})$$f$ Figure 12: A superinjective but not surjective simplicial map. We describe $f$ topologically. Let $S_{1}$ and $S_{2}$ be the two connected components of $S_{\alpha}$. Cut $S$ along $\alpha$ and then glue in a copy of $S_{1,2}$. This operation produces a new surface $S^{\prime}=S_{1}\cup S_{2}\cup S_{1,2}$. Remark that $S$ is homeomorphic to $S^{\prime}$ and that there is a natural inclusion map $f_{i}:S_{i}\hookrightarrow S^{\prime}$, for $i=1,2$. If $\beta\in\mathcal{V}(\mathcal{C}(S_{i}))$, then we define $f(\beta)=f_{i}(\beta)$ for $i=1,2$. On the other hand, if $\beta^{\prime}$ intersects the curve $\alpha$ we define $f(\beta^{\prime})$ as depicted in figure 12. Clearly, $f$ is superinjecive but no essential curve properly contained in the copy of $S_{1,2}$ that we introduced is in the image of $f$. Hence $f$ is not surjective and, in particular, $f$ cannot be induced by a class in ${\rm MCG}^{*}(S)$. ∎ We think that this result can be optimized in the following way. ###### Conjecture 1. Let S be a surface such that $\mathrm{Ends}^{*}(S)\neq\emptyset$ and $\\{\alpha_{1},\ldots,\alpha_{n}\\}\subset\mathcal{C}(S)$ be simplex. Then there exists a simplicial superinjective map $f:\mathcal{C}(S)\to\mathcal{C}(S)$ whose image does not intersect $\\{\alpha_{1},\ldots,\alpha_{n}\\}$. The following result shows that the statement of theorem 2 is not valid for superinjective maps. $\alpha$$\beta$$\beta^{\prime}$$\alpha$$f(\beta^{\prime})$$f(\beta)$$f$ Figure 13: A superinjecive map between two nonhomeomorphic surfaces. ###### Lemma 5.3. There exist uncountably many examples of pairs of nonhomeomorphic infinite genus surfaces $S_{1}$ and $S_{2}$ for which there exists a superinjective map $f:\mathcal{C}(S_{1})\to\mathcal{C}(S_{2})$. ###### Proof. The arguments are similar to those of the proof of lema 5.2. Let $S_{1}$ be the Loch Ness monster and $\alpha\in\mathcal{C}(S_{1})$ be a separating curve. Let $S$ be your favorite infinite genus surface and suppose that $S$ has at least two boundary components. We describe $f$ topologically. Cut $S_{1}$ along $\alpha$ and then glue in a copy of $S$ as indicated in figure 13. This produces $S_{2}$. The rest of the proof is analogous to the proof of lemma 5.2. ∎ ## References
arxiv-papers
2014-02-13T20:20:15
2024-09-04T02:49:58.219060
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Jes\\'us Hern\\'andez Hern\\'andez, Jos\\'e Ferr\\'an Valdez Lorenzo", "submitter": "Ferran Valdez", "url": "https://arxiv.org/abs/1402.3275" }
1402.3322
# $p$\- . . , . , 29, , 100125, . [email protected] ###### Abstract. $p$- . - $p$\- . $p$\- . : , , , , - , $p$\- . ## 1\. . . [2, 4]. [5, 8, 14], $p$\- , . [5] $p$\- . $p$\- ( . [1, 15, 6, 11, 9, 10, 12]). [3]. [6] $p$- . , $p$\- \- . , . [9, 10] \- $p$\- . , . [6] \- $p$\- . , $J<0$, \- $p$\- . [6]. \- $p$\- . $p$\- . ## 2\. ### 2.1. $p$\- . $x\neq 0$ $x=p^{r}\frac{n}{m}$, $r,n\in\mathbb{Z},m$– , $(n,m)=1$, $m$ $n$ $p$ $p$ – . $p$\- $|x|_{p}$ $|x|_{p}=\left\\{\begin{array}[]{ll}p^{-r},&\text{ }x\neq 0,\\\ 0,&\text{ }x=0.\end{array}\right.$ : $|x+y|_{p}\leq\max\\{|x|_{p},|y|_{p}\\}.$ . : 1) $|x|_{p}\neq|y|_{p}$, $|x-y|_{p}=\max\\{|x|_{p},|y|_{p}\\}$; 2) $|x|_{p}=|y|_{p}$, $|x-y|_{p}\leq|x|_{p}$; $\mathbb{Q}$ $p$\- $p$\- $\mathbb{Q}_{p}$ $p$ ( . [7]). $\mathbb{Q}$, $\mathbb{R}$, $p$\- $\mathbb{Q}_{p}$ ( ). $p$\- $x\neq 0$ $x=p^{\gamma(x)}(x_{0}+x_{1}p+x_{2}p^{2}+\dots),$ (2.1) $\gamma=\gamma(x)\in\mathbb{Z}$ $x_{j}$ , $0\leq x_{j}\leq p-1$, $x_{0}>0$, $j=0,1,2,...$ ( [7, 13, 14]). $|x|_{p}=p^{-\gamma(x)}$. ###### 1. [14] $x^{2}=a$, $0\neq a=p^{\gamma(a)}(a_{0}+a_{1}p+...),0\leq a_{j}\leq p-1$, $a_{0}>0$ $x\in\mathbb{Q}_{p}$ , : i) $\gamma(a)$ ; ii) $y^{2}=a_{0}(\operatorname{mod}p)$ , $p\neq 2$; $a_{1}=a_{2}=0$, $p=2$. ###### 1. [14] $x^{2}=-1$ $\mathbb{Q}_{p}$, , $p\equiv 1(\operatorname{mod}4)$. $a\in\mathbb{Q}_{p}$ $r>0$ $B(a,r)=\\{x\in\mathbb{Q}_{p}:|x-a|_{p}<r\\}.$ $p$- $\log_{p}(x)=\log_{p}(1+(x-1))=\sum_{n=1}^{\infty}(-1)^{n+1}{(x-1)^{n}\over n},$ $x\in B(1,1)$; $p$- $\exp_{p}(x)=\sum^{\infty}_{n=0}{x^{n}\over n!},$ $x\in B(0,p^{-1/(p-1)})$. ###### 1. $x\in B(0,p^{-1/(p-1)})$. $|\exp_{p}(x)|_{p}=1,\ \ |\exp_{p}(x)-1|_{p}=|x|_{p},\ \ |\log_{p}(1+x)|_{p}=|x|_{p},$ $\log_{p}(\exp_{p}(x))=x,\ \ \exp_{p}(\log_{p}(1+x))=1+x.$ $p$\- $p$\- [7, 13, 14]. $(X,\mathcal{B})$ , $\mathcal{B}$ $X$. $\mu:\mathcal{B}\to\mathbb{Q}_{p}$ $p$\- , $A_{1},...,A_{n}\in\mathcal{B}$ , $A_{i}\cap A_{j}=\varnothing,\ i\neq j$ $\mu\bigg{(}\bigcup_{j=1}^{n}A_{j}\bigg{)}=\sum_{j=1}^{n}\mu(A_{j}).$ $p$\- , $\mu(X)=1$ ( . [3]). ### 2.2. $\Gamma^{k}=(V,L)$ $k\geq 1$ ( ), $k+1$ , $V\ -$ $L\ -$ . $x$ $y$ , $l\in L$ $l=\langle x,y\rangle$. $d(x,y)\ -$ , $x$ $y$. $x^{0}\in V$ . : $W_{n}=\\{x\in V|d(x,x^{0})=n\\},\qquad V_{n}=\bigcup_{m=0}^{n}W_{m},$ $S(x)=\\{y\in W_{n+1}:d(x,y)=1\\},\quad x\in W_{n}.$ , $S(x)$ $x$. $y$ $z$ , $x\in V$ , $y,z\in S(x)$ $\rangle y,z\langle$. ### 2.3. $p$\- . $\mathbb{Q}_{p}$ $p$\- $\Phi=\\{-1;1\\}$. $\sigma$ $V$ $x\in V\to\sigma(x)\in\Phi$; $\sigma_{n}$ $\sigma^{(n)}$ $V_{n}$ $W_{n}$, . $V$ ( $V_{n},\ W_{n}$) $\Omega=\Phi^{V}$ ( $\Omega_{V_{n}}=\Phi^{V_{n}},\ \Omega_{W_{n}}=\Phi^{W_{n}}$). $\sigma_{n-1}\in\Omega_{V_{n}}$ $\varphi^{(n)}\in\Omega_{W_{n}}$ $(\sigma_{n-1}\vee\varphi^{(n)})(x)=\left\\{\begin{array}[]{ll}\sigma_{n-1}(x),&\text{ }\ x\in V_{n-1},\\\ \varphi^{(n)}(x),&\text{ }\ x\in W_{n}.\end{array}\right.$ , $\sigma_{n-1}\vee\varphi^{(n)}\in\Omega_{V_{n}}.$ $H_{n}:\Omega_{V_{n}}\to\mathbb{Q}_{p}$ $p$- $H_{n}(\sigma)=J_{1}\sum_{\langle x,y\rangle\in L_{n}}\sigma(x)\sigma(y)+J_{2}\sum_{\rangle x,y\langle\atop{x,y\in V_{n}}}\sigma(x)\sigma(y).$ (2.2) $J_{1},J_{2}\in\mathbb{Q}_{p}$. ###### 1. , . $J_{2}=0$, . [12]. ### 2.4. $p$\- . [9, 10] $p$\- (2.2). , . $h:x\to h_{x}\in\mathbb{Q}_{p}$ $p$\- $V$. $p$\- $\mu_{h}^{(n)}$ $\Omega_{V_{n}}$, $\mu_{h}^{(n)}(\sigma_{n})=Z_{n,h}^{-1}p^{H_{n}(\sigma_{n})}\prod_{x\in W_{n}}h_{x}^{\sigma(x)},\qquad n=1,2,...,$ (2.3) $Z_{n,h}$ $Z_{n,h}=\sum_{\varphi\in\Omega_{V_{n}}}p^{H_{n}(\varphi)}\prod_{x\in W_{n}}h_{x}^{\varphi(x)}.$ (2.4) , $p$\- $\mu_{h}^{(n)}$ , $\mbox{ }\ n\geq 1$ $\sigma_{n-1}\in\Omega_{V_{n-1}},$ $\sum_{\varphi\in\Omega_{W_{n}}}\mu_{h}^{(n)}(\sigma_{n-1}\vee\varphi){\bf 1}(\sigma_{n-1}\vee\varphi\in\Omega_{V_{n}})=\mu_{h}^{(n-1)}(\sigma_{n-1}).$ (2.5) [3] $\mu_{h}$ $\Omega$ , $\mu_{h}(\\{\sigma\big{|}_{V_{n}}=\sigma_{n}\\})=\mu_{h}^{(n)}(\sigma_{n})$ $n\in\mathbb{N}$ $\sigma_{n}\in\Omega_{V_{n}}$. ###### 1. $p$\- $\mu$ $p$\- , $p$\- $h$ $x\in V$ , $\mu(\sigma\in\Omega:\sigma|_{V_{n}}=\sigma_{n})=\mu_{h}^{(n)}(\sigma_{n}),\qquad\mbox{ }\ \sigma_{n}\in\Omega_{V_{n}},\qquad n\in\mathbb{N}.$ $\mu_{h}^{(n)}$ (2.3),(2.4). $\mathcal{QG}(H)$ $p$\- , $h=\\{h_{x},\ x\in V\\}$. (2.2) $J=J_{1}=J_{2}\in\mathbb{Z}$. ###### 2. , $\mu_{h}$ $\mu_{-h}$ $h$ $-h$ . ###### 1. [6] $p$\- $\mu_{h}^{(n)},\ n=1,2,...$ (2.5) , $x\in V$ : $u_{x}=\frac{\theta^{2}u_{y}u_{z}+u_{y}+u_{z}+1}{u_{y}u_{z}+u_{y}+u_{z}+\theta^{2}},$ (2.6) $\theta=p^{2J},\ u_{x}=h_{x}^{2}$ $S(x)=\\{y,z\\}$. ###### 3. , . ” ”. $p$\- $p$\- ” ” $\exp_{p}(x)$. $\exp_{p}(x)$ . , $p$\- . , $p$\- [9] $p$\- , $p^{x}$. [9, 10] [6] , $\mathcal{QG}(H)$ , $p$\- . , $p$\- ( . [10]). ## 3\. \- (2.6) $u_{x}=u\in\mathbb{Q}_{p},\ x\neq x_{0}$ \- . $p$\- \- . $u$ $u_{x}$ $x\neq x_{0}$, (2.6) $u=\frac{\theta^{2}u^{2}+2u+1}{u^{2}+2u+\theta^{2}}.$ (3.1) , $u_{0}=1$ (3.1). (3.1) , ( ) $u_{1,2}=\frac{\theta^{2}-3\pm\sqrt{(1-\theta^{2})(5-\theta^{2})}}{2}.$ (3.2) [6] : ###### 2. $J>0$. : (i) $p\in\\{2,3,5\\}$ \- $p$\- $\mu_{h_{0}}$; (ii) $p>5$ $x_{0}$ $x^{2}\equiv 5\,(\operatorname{mod}p)$. $x^{2}+6\equiv 2x_{0}\,(\operatorname{mod}p)$ , \- $p$\- : $\mu_{h_{0}},\ \mu_{h_{1}},\ \mu_{h_{2}}$. $h_{0}=1,\ h_{1}=\sqrt{u_{1}},\ h_{2}=\sqrt{u_{2}}$. ###### 3. $J<0$. - $p$\- $\mu_{h_{0}},\ \mu_{h_{1}},\ \mu_{h_{2}}$. ### 3.1. \- $p$\- ###### 2. $h$ (2.6) $\mu_{h}$ $p$\- . $Z_{n,h}$ ( . (2.4)) $Z_{n+1,h}=A_{n,h}Z_{n,h},$ (3.3) $A_{n,h}$ (3.6). ###### Proof. $h$ (2.6), $x\in V$ $a_{h}(x)\in\mathbb{Q}_{p}$ , $\sum_{\varphi\in\Omega_{W_{n+1}}}p^{J(\sigma(x)(\varphi(y)+\varphi(z))+\varphi(y)\varphi(z))}h_{y}^{\varphi(y)}h_{z}^{\varphi(z)}=a_{h}(x)h_{x}^{\sigma(x)},$ (3.4) $S(x)=\\{y,z\\}$ $\sigma\in\Omega_{V_{n}}$. $\prod_{x\in W_{n}}\sum_{\varphi\in\Omega_{W_{n+1}}}p^{J(\sigma(x)(\varphi(y)+\varphi(z))+\varphi(y)\varphi(z))}h_{y}^{\varphi(y)}h_{z}^{\varphi(z)}=\prod_{x\in W_{n}}a_{h}(x)h_{x}^{\sigma(x)}=A_{n,h}\prod_{x\in W_{n}}h_{x}^{\sigma(x)},$ (3.5) $A_{n,h}=\prod_{x\in W_{n}}a_{h}(x).$ (3.6) (2.3) (3.5) $\sum_{\sigma\in\Omega_{V_{n}}}\sum_{\varphi\in\Omega_{W_{n+1}}}\mu_{h}^{(n+1)}(\sigma\vee\varphi)=\sum_{\sigma\in\Omega_{V_{n}}}\sum_{\varphi\in\Omega_{W_{n+1}}}\frac{1}{Z_{n+1,h}}p^{H(\sigma\vee\varphi)}\prod_{x\in W_{n+1}}h_{x}^{\varphi(x)}$ $=\frac{A_{n,h}}{Z_{n+1,h}}\sum_{\sigma\in\Omega_{V_{n}}}p^{H(\sigma)}\prod_{x\in W_{n}}h_{x}^{\sigma(x)}=\frac{A_{n,h}}{Z_{n+1,h}}Z_{n,h}=1.$ ∎ $h$ (2.6). $h$ $a_{h}(x)$. $x\in V$ (3.4) $\sigma(x)=1$ $\sigma(x)=-1$. $\sigma(x)=1$ $\sigma(x)=-1$ $p^{3J}h_{y}h_{z}+p^{-J}h_{y}^{-1}h_{z}+p^{-J}h_{y}h_{z}^{-1}+p^{-J}h_{y}^{-1}h_{z}^{-1}=a(x)h_{x}$ $p^{-J}h_{y}h_{z}+p^{-J}h_{y}^{-1}h_{z}+p^{-J}h_{y}h_{z}^{-1}+p^{3J}h_{y}^{-1}h_{z}^{-1}=a(x)h_{x}^{-1}.$ , $a_{h}(x)=\frac{\left(\left(p^{4J}h_{y}^{2}h_{z}^{2}+h_{y}^{2}+h_{z}^{2}+1)(h_{y}^{2}h_{z}^{2}+h_{y}^{2}+h_{z}^{2}+p^{4J}\right)\right)^{\frac{1}{2}}}{p^{J}h_{y}h_{z}}.$ (3.7) \- $h$ (3.7) $a_{h}=\frac{\left(\left(p^{4J}h^{4}+2h^{2}+1)(h^{4}+2h^{2}+p^{4J}\right)\right)^{\frac{1}{2}}}{p^{J}h^{2}}.$ (3.8) #### 3.1.1. C $J>0$. ###### 3. $\sigma\in\Omega_{V_{n}}$ $n\geq 1$ $\left|p^{H_{n}(\sigma)}\right|_{p}\leq p^{J(2^{n}-1)}.$ ###### Proof. , $H_{n}(\sigma)\geq-J(2^{n}-1)$. , . , $\sigma\in\Omega_{V_{n}}$ $\sigma(y)\sigma(z)=-1,\ \mbox{ }\ x\in V_{n-1},\ S(x)=\\{y,z\\}$ . ∎ ###### 4. $\left|h_{0}\right|_{p}=\left|h_{1}\right|_{p}=\left|h_{2}\right|_{p}=1$. ###### Proof. , $|h_{0}|_{p}=1$, $h_{0}=1$. 2 $h_{1},\ h_{2}$ $p>5$. , 1) 2.1 $|h_{1}|_{p}=\left|\sqrt{\frac{p^{4J}-3+\sqrt{p^{8J}-6p^{4J}+5}}{2}}\right|_{p}=\left|\sqrt{2\sqrt{5}-6}\right|_{p}=1.$ $|h_{2}|_{p}=1$. ∎ ###### 5. $Z_{n,h_{i}},\ i=0,1,2$ : i) $|Z_{n,h_{1}}|_{p}=|Z_{n,h_{2}}|_{p}=p^{J(2^{n}-2)}$; ii) $|Z_{n,h_{0}}|_{p}=\left\\{\begin{array}[]{ll}p^{J(2^{n}-2)},&\text{ }p\neq 3,\\\ p^{(J-1)(2^{n}-2)},&\text{ }p=3.\end{array}\right.$ ###### Proof. i) (3.8) $h_{1}$ $|a_{h_{1}}|_{p}=\left|\frac{\left(\left(p^{4J}h_{1}^{4}+2h_{1}^{2}+1)(h_{1}^{4}+2h_{1}^{2}+p^{4J}\right)\right)^{\frac{1}{2}}}{p^{J}h_{1}^{2}}\right|_{p}=$ $\left|p^{-J}\sqrt{(2\sqrt{5}-4)(\sqrt{5}+1)}\right|_{p}=\left|p^{-J}\sqrt{6-2\sqrt{5}}\right|_{p}=p^{J}$ , $Z_{n,h}=a_{h}^{|V_{n-1}|}$ $|V_{n-1}|=2^{n}-2$, $|Z_{n,h_{1}}|_{p}=p^{J(2^{n}-2)}.$ $|Z_{n,h_{2}}|_{p}=p^{J(2^{n}-2)}$. ii) $h_{0}=1$, (3.8) $|a_{h_{0}}|_{p}=\left|\frac{\left(\left(p^{4J}+3)(3+p^{4J}\right)\right)^{\frac{1}{2}}}{p^{J}}\right|_{p}=\left|3p^{-J}\right|_{p}=\left\\{\begin{array}[]{ll}p^{J},&\text{ }p\neq 3,\\\ p^{J-1},&\text{ }p=3.\end{array}\right.$ , $|Z_{n,h_{0}}|_{p}=\left\\{\begin{array}[]{ll}p^{J(2^{n}-2)},&\text{ }p\neq 3,\\\ p^{(J-1)(2^{n}-2)},&\text{ }p=3.\end{array}\right.$ ∎ ###### 4. i) $p\neq 3$, - $p$\- . ii) $p=3$, - $p$\- $\mu_{h_{0}}$. . ###### Proof. i) $p\neq 3$. 5 $|Z_{n,h_{i}}|_{p}=p^{J(2^{n}-2)},\ i=0,1,2$. 3,4 $\sigma\in\Omega_{V_{n}}$ $n=1,2,...$ $\left|\mu_{h_{i}}^{(n)}(\sigma)\right|_{p}=\left|\frac{p^{H_{n}(\sigma)}\prod_{x\in W_{n}}h_{i}^{\sigma(x)}}{Z_{n,h_{i}}}\right|_{p}\leq\frac{p^{J(2^{n}-2)}}{p^{J(2^{n}-2)}}=1,\qquad i=0,1,2.$ , - $p$\- $\mu_{h_{i}},\ i=0,1,2$ . ii) $p=3$. 2 \- $p$\- $\mu_{h_{0}}$. , . $\sigma$ $\sigma(y)\sigma(z)=-1,\ \mbox{ }\ x\in V_{n-1},\ S(x)=\\{y,z\\}$ 4,5 $\mu_{h_{0}}$ $\left|\mu_{h_{0}}^{(n)}(\sigma)\right|_{p}=\left|\frac{p^{H_{n}(\sigma)}\prod_{x\in W_{n}}h_{0}}{Z_{n,h_{0}}}\right|_{p}=\frac{p^{J(2^{n}-2)}}{p^{(J-1)(2^{n}-2)}}=p^{2^{n}-2}.$ $\left|\mu_{h_{0}}^{(n)}(\sigma)\right|_{p}\to\infty\qquad\mbox{ }\ n\to\infty.$ ∎ #### 3.1.2. $J<0$. ###### 6. $\left|p^{H_{n}(\sigma)}\right|_{p}\leq p^{-J(3\cdot 2^{n}-5)}$ $\sigma\in\Omega_{V_{n}}$ $n\geq 1$. ###### Proof. , $\sigma\in\Omega_{V_{n}}$, 1 $x\in V_{n}$. ∎ ###### 7. $|h_{0}|_{p}=1,\qquad|h_{1}|_{p}=p^{-2J},\qquad|h_{2}|_{p}=p^{2J}$. ###### Proof. , $|h_{0}|_{p}=1$. $h_{1}$ $|h_{1}|_{p}=\left|p^{2J}\sqrt{\frac{1-3p^{-4J}+\sqrt{1-6p^{-4J}+5{p^{-4J}}}}{2}}\right|_{p}=p^{-2J}.$ $h_{i}=\sqrt{u_{i}},\ i=1,2$ $u_{1}\cdot u_{2}=1$, $|h_{2}|_{p}=p^{2J}$. ∎ ###### 8. $Z_{n,h_{i}},\ i=0,1,2$ $|Z_{n,h_{i}}|_{p}=p^{-J(5\cdot 2^{n}-10)},\ i=1,2\qquad|Z_{n,h_{0}}|_{p}=p^{-J(3\cdot 2^{n}-6)}.$ ###### Proof. 7 $h_{1}=p^{2J}\varepsilon$ $|\varepsilon|_{p}=1$. , $|a_{h_{1}}|_{p}=\left|\frac{\left(\left(p^{12J}\varepsilon^{4}+2p^{4J}\varepsilon^{2}+1)(p^{8J}\varepsilon^{4}+2p^{4J}\varepsilon^{2}+p^{4J}\right)\right)^{\frac{1}{2}}}{p^{5J}\varepsilon^{2}}\right|_{p}=p^{-5J}.$ , $|Z_{n,h_{1}}|_{p}=p^{-J(5\cdot 2^{n}-10)}.$ $|Z_{n,h_{2}}|_{p}=p^{-J(5\cdot 2^{n}-10)}$ $|Z_{n,h_{0}}|_{p}=p^{-J(3\cdot 2^{n}-6)}$. ∎ ###### 5. \- $p$\- . 6,7,8. ## 4\. $p$\- : $u=f(f(u)),\qquad\mbox{ }\ f(u)=\frac{\theta^{2}u^{2}+2u+1}{u^{2}+2u+\theta^{2}}$ (4.1) , (4.1) $u=f(u)$. ( - ) . $\frac{f(f(u))-u}{f(u)-u}=0,$ : $\theta^{2}u^{2}+(\theta^{2}+1)u+\theta^{2}=0.$ (4.2) $\sqrt{1+2\theta^{2}-3\theta^{4}}$ $\mathbb{Q}_{p}$, $u_{3,4}=\frac{-1-\theta^{2}\pm\sqrt{1+2\theta^{2}-3\theta^{4}}}{2\theta^{2}}.$ (4.3) (4.2). $D(\theta)=1+2\theta^{2}-3\theta^{4}$. $\sqrt{D(\theta)}$ $\mathbb{Q}_{p}$. $\sqrt{u_{3}}$ $\sqrt{u_{4}}$. , . , , $\sqrt{u_{3}}$ $\mathbb{Q}_{p}$. $u_{3}\cdot u_{4}=\frac{(1+\theta^{2})^{2}-(1+2\theta^{2}-3\theta^{4})}{4\theta^{4}}=1.$ (4.4) $\sqrt{u_{3}}\in\mathbb{Q}_{p}$, (4.4) $\sqrt{u_{4}}\in\mathbb{Q}_{p}$. ###### 4. $\sqrt{u_{3}}$ $\sqrt{u_{4}}$ , , 2- $p$\- , 2- $p$\- . $\mu^{per}_{1}$ ( . $\mu^{per}_{2}$) $p$\- $(h_{3},h_{4})$ ( . $(h_{4},h_{3})$). ### 4.1. $J>0$ 1 $\sqrt{D(\theta)}$ $p$. $\sqrt{u_{3}}$ $\mathbb{Q}_{p}$. $p=2$. $u_{3}=\frac{-1-2^{4J}+\sqrt{1+2^{4J+1}-3\cdot 2^{8J}}}{2^{4J+1}}=\frac{-1-2^{4J}+1+2+2^{2}+\dots}{2^{4J+1}}=2^{-4J}(1+2+\dots)$ 1 , $\sqrt{u_{3}}$ $\mathbb{Q}_{p}$. $p\neq 2$. $u_{4}=\frac{-1-p^{4J}-\sqrt{1+2p^{4J}-3p^{8J}}}{2p^{4J}}=\frac{-1-p^{4J}-1-p^{4J}-\dots}{2p^{4J}}=\frac{-1+a_{1}p+a_{2}p^{2}+\dots}{p^{4J}}.$ , $\sqrt{u_{3}}$ $\sqrt{-1}$. 1 $\sqrt{-1}$ $\mathbb{Q}_{p}$ , $p\equiv 1(\operatorname{mod}4)$. ###### 6. $p\equiv 1(\operatorname{mod}4)$, (2.2) 2- $p$\- : $\mu^{per}_{1}$ $\mu^{per}_{2}$. ### 4.2. C $J<0$ $|\theta|_{p}>1$. $D(\theta)=\theta^{4}(-3+2\theta^{-2}+\theta^{-4})$ , $\sqrt{D(\theta)}$ $\sqrt{-3}$ . 1 $p$ , $\sqrt{D(\theta)}$ $p$ | $2$ | $3$ | $5$ | $7$ | $11$ | $13$ | $17$ | $19$ ---|---|---|---|---|---|---|---|--- $\sqrt{D(\theta)}$ | $-$ | $-$ | $-$ | $+$ | $-$ | $+$ | $-$ | $-$ 1. ###### 7. i) $p\in\\{2,3\\}$, $p$\- . ii) $p>3$. $x^{2}+3\equiv 0\,(\operatorname{mod}p)$ $\mathbb{Q}_{p}$, $p$\- . iii) $p>3$ $x_{0}$ $x^{2}+3\equiv 0\,(\operatorname{mod}p)$. 2- $p$\- , $x^{2}-2x_{0}+2\equiv 0\,(\operatorname{mod}p)$ $\mathbb{Q}_{p}$. ###### Proof. $\sqrt{D(\theta)}$ $\sqrt{-3}$ , , $x^{2}+3\equiv 0\,(\operatorname{mod}p)$ $\mathbb{Q}_{p}$. , $\sqrt{-3}\not\in\mathbb{Q}_{p}$ $p\leq 3$. $p>3$ $x_{0}$ $x^{2}+3\equiv 0\,(\operatorname{mod}p)$. $u_{3}=\frac{-1-p^{4J}+\sqrt{1+2p^{4J}-3p^{8J}}}{2p^{4J}}=\frac{x_{0}-1+p^{-4J}\varepsilon}{2},\quad|\varepsilon|_{p}\leq 1$ 1 , $\sqrt{u_{3}}$ $x^{2}-2x_{0}+2\equiv 0\,(\operatorname{mod}p)$. 4 2- $p$\- , $x^{2}-2x_{0}+2\equiv 0\,(\operatorname{mod}p)$ $\mathbb{Q}_{p}$. ∎ . . . . . . ## References * [1] Albeverio S., Karwowski W., Stochastic Processes Appl. 53 (1994), 1-22. * [2] Bleher P.M., Ruiz J., Zagrebnov V.A. Journ. Statist. Phys. 79 (1995), 473-482. * [3] . ., . ., . ., . . ., No. 4, (1998), 23-29. * [4] Georgii H.-O., Gibbs Measures and Phase Transitions (W. de Gruyter, Berlin, 1988). * [5] Khrennikov A. Yu., Non-Archimedean Analysis: Quantum Paradoxes, Dynamical Systems and Biological Models (Kluwer, Dordrecht, 1997). * [6] Khakimov O.N., $p$-Adic Numbers, Ultr.Anal.Appl.5:3 (2013), 194-203. * [7] Koblitz N., $p$-Adic Numbers, $p$-adic Analysis, and Zeta-Functions (Springer, Berlin, 1977). * [8] Marinari E., Parisi G., Phys. Lett. B 203, (1988) 52-54. * [9] Mukhamedov F.M., Math.Phys.Anal.Geom, 16 (2013), 49-87. * [10] Mukhamedov F.M., $p$-Adic Numbers, Ultr.Anal.Appl., 2 (2010), 241-251. * [11] . ., O. ., . 175:1 (2013), 84-92. * [12] Rozikov U.A., Gibbs Measures on Cayley Trees.World Sci. Publ. Singapore. 2013, 404 pp. * [13] Schikhof W.H., Ultrametric Calculus (Cambridge Univ. Press, Cambridge, 1984). * [14] Vladimirov V.S., Volovich I. V., Zelenov E. V., $p$-Adic Analysis and Mathematical Physics (World Sci., Singapore, 1994). * [15] Yasuda K., Osaka J. Math. 37, (2000), 967-985.
arxiv-papers
2014-02-12T17:20:23
2024-09-04T02:49:58.231073
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Otabek Khakimov", "submitter": "Khakimov Otabek Norbuta ugli", "url": "https://arxiv.org/abs/1402.3322" }
1402.3513
# _Ab initio_ design of charge-mismatched ferroelectric superlattices Claudio Cazorla Institut de Ci$\grave{e}$ncia de Materials de Barcelona (ICMAB-CSIC), 08193 Bellaterra, Spain Massimiliano Stengel Institut de Ci$\grave{e}$ncia de Materials de Barcelona (ICMAB-CSIC), 08193 Bellaterra, Spain ICREA - Institució Catalana de Recerca i Estudis Avançats, 08010 Barcelona, Spain [email protected] ###### Abstract We present a systematic approach to modeling the electrical and structural properties of charge-mismatched superlattices from first principles. Our strategy is based on bulk calculations of the parent compounds, which we perform as a function of in-plane strain and out-of-plane electric displacement field. The resulting two-dimensional phase diagrams allow us to accurately predict, without performing further calculations, the behavior of a layered heterostructure where the aforementioned building blocks are electrostatically and elastically coupled, with an arbitrary choice of the interface charge (originated from the polar discontinuity) and volume ratio. By using the [PbTiO3]m/[BiFeO3]n system as test case, we demonstrate that interface polarity has a dramatic impact on the ferroelectric behavior of the superlattice, leading to the stabilization of otherwise inaccessible bulk phases. ###### pacs: 71.15.-m, 77.22.Ej, 77.55.+f, 77.84.Dy ## I Introduction When layers of perovskite oxides are epitaxially stacked to form a periodically repeated heterostructure, new intriguing functionalities can emerge in the resulting superlattice [ghosez08, ; junquera11, ]. These are further tunable via applied electric fields and thermodynamic conditions, and thus attractive for nanoelectronics and energy applications. An excellent example is the [PbTiO3]m/[SrTiO3]n system, where the polarization, tetragonality, piezoelectric response, and ferroelectric transition temperature strongly change with the volume ratio of the parent compounds [dawber05, ; dawber07, ; dawber12, ]. Such a remarkable tunability is usually rationalized in terms of epitaxial strains [dawber05b, ], electrostatic coupling (see Fig. 1a) [zubko12, ; wu12, ], and local interface effects [junquera12, ; bousquet08, ]. While perovskite titanates with ATiO3 formula (A=Sr, Pb, Ba or Ca) have traditionally been the most popular choice as the basic building blocks, a much wider range of materials (e.g., BiFeO3) is currently receiving increasing attention by the community. The motivation for such an interest is clear: a superlattice configuration provides the unique opportunity of enhancing materials properties via “strain engineering”, and a multifunctional compound such as BiFeO3 appears to be a natural candidate in this context. (For example, strain has been predicted to enhance the magnetoelectric response of BiFeO3 by several orders of magnitude compared to bulk samples [wojdel09, ; wojdel10, ].) Also, a superlattice geometry can alleviate the leakage issues of pure BiFeO3 films [ranjith07, ; ranjith08, ]. Combining a III–III perovskite like BiFeO3 (or I–V, like KNbO3) with a II–IV titanate appears, however, problematic from the conceptual point of view. In fact, the charge-family mismatch inevitably leads to polar (and hence electrostatically unstable) interfaces between layers murray09 . This is not necessarily a drawback, though: recent research has demonstrated that polar interfaces can be, rather than a nuisance to be avoided, a rich playground to be exploited for exploring exciting new phenomena. The prototypical example is the LaAlO3/SrTiO3 system, where a metallic two-dimensional electron gas appears at the heterojunction to avoid a “polar catastrophe” nakagawa06 ; ohtomo04 . Remarkably, first-principles calculations have shown that interfaces in oxide superlattices can remain insulating provided that the layers are thin enough, and produce rather dramatic effects on the respective polarization of the individual components bristowe09 ; murray09 . This means that, in a superlattice, polar discontinuities need not be compensated by electronic or ionic reconstructions; they can, instead, be used as an additional, powerful materials-design tool to control the behavior of the polar degrees of freedom therein. Such a control may be realized, for instance, by altering the stoichiometry at the interfaces (see Fig. 1b). To fully explore the potential that this additional degree of freedom (the interface built-in polarity) provides, and guide the experimental search for the most promising materials combinations, one clearly needs to establish a general theoretical framework where the “compositional charge” murray09 is adequately taken into account. Figure 1: (Color online) (a) Description of the electrostatic coupling in a ferroelectric (orange)/paraelectric (blue) bilayer; $P$, $\mathcal{E}$, and $D$ represent the component of the polarization, electric field and electric displacement vectors along the stacking direction, and $\sigma_{\rm int}$ is the interface charge density. (b) Intermixed AO-type interfaces in a [BiFeO3]m/[PbTiO3]n superlattice and the resulting interface charge densities. (c) Illustration of the $20$-atom simulation cell used in our calculations; red, blue and black spheres represent O, B, and A atoms in the ABO3 perovskite. In this Letter, we present a general first-principles approach to predict the behavior of charge-mismatched perovskite oxide superlattices based exclusively on the properties of their individual bulk constituents. Our formalism combines the constrained-$D$ strategies of Wu et al. wu08 , which are key to decomposing the total energy of the system into the contributions of the individual layers, with the rigorous description of the interface polarity proposed in Ref. stengel11 . As a result, we are able to exactly describe the electrostatic coupling and mechanical boundary conditions, enabling a clear separation between genuine interface and bulk effects. Crucially, the present method allows one to quantify, in a straightforward way, the impact that interface polarity has on the equilibrium (and metastable) phases of the superlattice. As a proof of concept we apply our formalism to the study of [PbTiO3]m/[BiFeO3]n (PTO/BFO) heterostructures. We find that (i) our _bulk_ model accurately matches earlier first-principles predictions obtained for ultrashort-period superlattices (i.e., $m=n=3$) by using explicit _supercell_ simulations stengel12 , and (ii) by assuming interface terminations with different nominal charge, we obtain a radical change in the overall ferroelectric properties of the superlattice, which demonstrates the crucial role played by the polar mismatch. Figure 2: (Color online) Energy of PTO/BFO superlattices with $a=3.81$ Å expressed as a function of $D$, for selected values of $\lambda$ and $\sigma_{\rm int}$. Equilibrium and metastable superlattice states are represented with solid and empty dots. Red (green) vertical lines indicate phase transitions occurring in bulk BFO (PTO) under different $D$ conditions. (a) and (b) represent the cases of neutral and polar interfaces, respectively. We start by expressing the total energy of a monodomain two-color superlattice (i.e., composed of species A and B) as, $U_{\rm tot}(D,\lambda,a)=\lambda\cdot U_{\rm A}(D,a)+\left(1-\lambda\right)\cdot U_{\rm B}(D,a)~{}.$ (1) Here $U_{\rm A}$ and $U_{\rm B}$ are the internal energies of the individual constituents, $D$ is the electric displacement along the out-of-plane stacking direction (i.e., $D\equiv{\cal E}+4\pi P$ where ${\cal E}$ is the electric field and $P$ is the _effective_ polarization, relative to the centrosymmetric reference configuration), $\lambda$ is the relative volume ratio of material A (i.e, $\lambda\equiv m/(n+m)$ where $m$ and $n$ are the thicknessess of layers A and B, respectively), and $a$ is the in-plane lattice parameter (we assume heterostructures that are coherently strained to the substrate). Note that short-range interface effects have been neglected. (While it is certainly possible to incorporate the latter in the model, e.g. along the guidelines described in Ref. wu08 , we believe these would have been an unnecessary complication in the context of the present study.) By construction, Eq. (1) implicitly enforces the continuity of $D$ along the out-of-plane stacking direction (which we label as $z$ henceforth), which is appropriate for superlattices where the interfaces are nominally uncharged [ghosez08, ; junquera11, ]. In presence of a polar mismatch, one has a net “external” interface charge, of compositional origin murray09 , $\sigma_{\rm int}$ (see Fig. 1a), which is localized at the interlayer junctions. In such a case, Eq. (1) needs to be revised as follows, $U_{\rm tot}(D,\sigma_{\rm int},\lambda,a)=\lambda\cdot U_{\rm A}(D,a)+\left(1-\lambda\right)\cdot U_{\rm B}(D-\sigma_{\rm int},a)~{},$ (2) i.e. the $U_{\rm B}$ curve is shifted in $D$-space to account for the jump in $D$ produced by $\sigma_{\rm int}$. (Recall the macroscopic Maxwell equation, $\nabla\cdot{\bf D}=\rho_{\rm ext}$, where $\rho_{\rm ext}$, the “external” charge, encompasses all contributions of neither dielectric nor ferroelectric origin.) Once the functions $U_{\rm A}$ and $U_{\rm B}$ are computed and stored (e.g. by using the methodology of Ref. stengel09b ), one can predict the ground-state of a hypothetical A/B superlattice by simply finding the global minimum of $U_{\rm tot}$ with respect to $D$ at fixed values of $\sigma_{\rm int}$, $\lambda$ and $a$. The advantage of this procedure is that, for a given choice of A and B, the aforementioned four-dimensional parameter space can be explored very efficiently, as no further _ab initio_ calculations are needed. It is useful, before going any further, to specify the physical origin of $\sigma_{\rm int}$ in the context of this work. Consider, for example, a periodic BiFeO3/PbTiO3 superlattice, which we assume (i) to be stoichiometric (and therefore charge-neutral) as a whole, (ii) to have an ideal AO-BO2-AO-BO2 stacking along the (001) direction, and (iii) to form (say) AO-type interfaces (see Fig. 1b). (The same arguments can be equally well applied to the case of BO2-type interfaces.) Depending on the growth conditions, one can have a certain degree of intermixing in the boundary AO layers, which will adopt an intermediate composition Bix Pb(1-x)O. As a pure BiO layer is formally charged $+1$ and PbO is neutral, we can readily write $\sigma_{\rm int}=\pm\left(x-\frac{1}{2}\right)$ (expressed in units of $e/S$ with $S$ being the surface of the corresponding 5-atom perovskite cell), where the choice of plus or minus depends on the arbitrary assignment of BiFeO3 and PbTiO3 as the A or B component in Eq. (2) [see Fig. 1b]. In the following we shall illustrate the crucial role played by $\sigma_{\rm int}$ (and hence, by the interface stoichiometry) on the ferroelectric properties of a BFO/PTO superlattice, by combining Eq. (2) with the bulk $U_{\rm BFO}(D,a)$ and $U_{\rm PTO}(D,a)$ curves that we calculate from first principles. Our calculations are performed with the “in-house” LAUTREC code within the local spin density approximation to density-functional theory. (We additionally apply a Hubbard $U=3.8$ eV to Fe ions kornev07 ; yang12 .) We use the $20$-atom simulation cell depicted in Fig. 1c for both BFO and PTO, which allows us to describe the ferroelectric and anti-ferrodistortive (AFD) modes of interest (i.e. in-phase AFDzi and out-of-phase AFDzo and AFDxy, see Ref. [bousquet08, ]). Atomic and cell relaxations are performed by constraining the out-of-plane component of $D$ stengel09b and the in-plane lattice constant $a$ to a given value. [Calculations are repeated many times in order to span the physically relevant two-dimensional $(D,a)$ parameter space.] We start by illustrating the results obtained at fixed strain, $a=3.81$ Å (see Fig. 2), by assuming $\sigma_{\rm int}=0$, which corresponds to fully intermixed junctions ($x=0.5$), and we vary the BFO volume ratio, $\lambda$. At the extreme values of $\lambda$, the results are consistent with the expectations: the equilibrium configuration of BFO (i.e., the minimum of $U_{tot}$ with $\lambda=1$) at this value of $a$ is the well-known R-type $Cc$-I phase alison10 , derived from the bulk ground state via the application of epitaxial compression; PTO ($\lambda=0$), on the other hand, is in a tetragonal $P4mm$ phase with the polarization vector oriented out of plane. Intermediate values of $\lambda$ yield a linear combination of the two single- component $U(D)$ curves, where the spontaneous $P_{z}$ at equilibrium gradually moves from the pure PTO to the pure BFO value. Unfortunately, the possible equilibrium states that can be attained by solely varying $\lambda$ (at this value of $a$ and $\sigma_{\rm int}$) lie far from any physically “interesting” region of the phase diagram. For example, note the kink at $|D|\sim$0.3 C/m2 in the pure BFO case, which corresponds to a first-order transition to an orthorhombic $Pna2_{1}$ phase (a close relative of the higher-symmetry $Pnma$ phase, occurring at $D=0$). A huge piezoelectric and dielectric response is expected in BFO in a vicinity of the transition cazorla14 , raising the question of whether one could approach this region by playing with $\sigma_{\rm int}$, in addition to $\lambda$. The answer is yes: when oxide superlattices with $\sigma_{\rm int}=0.5$ are considered [corresponding to “ideal” (BiO)+/TiO2 and (FeO2)-/PbO interfaces], the stable minimum of the system favors a smaller spontaneous polarization in the BFO layers, approaching the aforementioned ($Cc{\rm-I}\to Pna2_{1}$) phase boundary in the limit of small $\lambda$. Interestingly, the $U_{\rm tot}(D)$ curve becomes asymmetric (the interfacial charge breaks inversion symmetry), and a secondary, metastable minimum appears. Overall, the resulting phase diagram turns out to be much richer, with new combinations of phases emerging (e.g. in region II’, where BFO exists in the orthorhombic $Pna2_{1}$ phase and PTO in the tetragonal $P4mm$ phase), and highly non-trivial changes in the electrical properties occurring as a function of $\lambda$. Figure 3: Total energy (a) and out-of-plane electric displacement $D$ (b) of the equilibrium (solid symbols) and metastable (empty symbols) states of PTO/BFO superlattices with $\lambda=\frac{1}{2}$ and $\sigma_{\rm int}=0.5$, expressed as a function of the in-plane lattice parameter. Regions in which PTO and BFO exist in different phases are delimited with vertical dashed lines; the corresponding space groups and AFD distortion patterns in Glazer’s notation are shown in (a), and the components of the ferroelectric polizarization in (b). In order to further illustrate the power of our approach, we shall now fix the volume ratio to $\lambda=0.5$ (corresponding to alternating BFO and PTO layers of equal thickness) and vary the in-plane lattice parameter in the range $3.6\leq a\leq 4.2$ Å . We shall first consider the case of charged interfaces with $\sigma_{\rm int}=0.5$, as this choice allows for a direct comparison with the results of Yang _et al._ (obtained via standard supercell simulations) [stengel12, ]. In Fig. 3 we show the energy and spontaneous electric displacement of the equilibrium and metastable states as a function of $a$. Four regions can be identified in the diagrams depending on the phases adopted by BFO and PTO at each value of the in-plane strain. (Their crystal space groups, AFD pattern and in-plane / out-of-plane ferroelectric polarization, respectively $P_{xy}$ and $P_{z}$, are specified in compact form in the figure.) In region I’ both PTO and BFO adopt a monoclinic $Pc$ phase characterized by large in-phase AFDz distortions and non-zero $P_{xy}$ and $P_{z}$. Such a monoclinic $Pc$ phase is closely related to the orthorhombic $Pmc2_{1}$ structure which has been recently predicted in PTO and BFO at large tensile strains [yang12, ]. In region II’ PTO adopts an orthorhombic $Ima2$ phase, characterized by vanishing AFD distortions and a large in-plane ${\bf P}$ (we neglect the small out-of-plane $P_{z}$), while BFO is in its well- known $Cc$-I state. In region III, BFO remains $Cc$-I, while PTO adopts a $P4mm$ phase, both with _opposite_ out-of-plane polarization with respect to region II’. These structures switch back to a positively oriented $P_{z}$ in region IV’, respectively transforming into a monoclinic $Cc$-II and a tetragonal $I4cm$ phase. The $I4cm$ phase is characterized by anti-phase AFDz distorsions and an out-of-plane ${\bf P}$, while the $Cc$-II corresponds to the “supertetragonal” T-type phase of BFO zeches09 . Note that, as observed already while discussing Fig. 2, the net interface charge leads to an asymmetric double-well potential, and consequently to an energy difference (typically of $\sim 20$ meV/f.u. or less, see Fig. 3a) between the two oppositely polarized states. (Only one minimum survives at large tensile strains, where the superlattice is no longer ferroelectric.) At the phase boundaries such energy difference vanishes; the obvious kinks in the $U_{\rm tot}$ curve shown in Fig. 3(a) indicate that the transitions (at $a=3.71$, $3.87$, and $4.05$ Å) are all of first-order type. The above results are in remarkable agreement with those of Yang _et al._ stengel12 . The only apparent discrepancy concerns the ordering of the stable/metastable states in region III, which anyway involves a very subtle energy difference (and is therefore sensitive to short-range interface effects, not considered here). Obtaining such an accurate description of superlattices where the individual layers are as thin as three perovskite units stengel12 provides a stringent benchmark for our method, and validates it as a reliable modeling tool. From the physical point of view this comparison suggest that, even in the ultrathin limit, PTO/BFO superlattices can be well understood in terms of macroscopic bulk effects, i.e., short-range interface-specific phenomena appear to play a relatively minor role. Figure 4: Same as in Fig. 3, but considering neutral interfaces. The out-of- plane polarization is the same in PTO and BFO layers. Having gained confidence in our method, we can use it to predict the behavior of a hypothetical superlattice with $\sigma_{\rm int}=0$, corresponding to a centrosymmetric reference structure with fully intermixed Pb0.5Bi0.5O interface layers (see Fig. 4). Note the symmetry of the two opposite polarization states, and the common value of the spontaneous electric displacement adopted by BFO and PTO. The resulting phase diagram consists, again, in four regions, with a first-order and two second-order phase transitions occurring at $a=4.07$, $3.88$ and $3.73$ Å , respectively (see Fig. 4a). In three of these regions, the individual layers display structures which are different from those obtained in the $\sigma_{\rm int}=0.5$ case: in region I both PTO and BFO stabilize in an orthorhombic $Pmc2_{1}$ phase [yang12, ], characterized by a vanishing $P_{z}$; in region II PTO adopts a monoclinic $Cm$ phase with the polarization roughly oriented along (111) ($P_{z}\neq P_{xy}\neq 0$) and no AFD, while BFO stabilizes in the already discussed $Cc$-I phase; finally, in region IV, PTO is tetragonal $P4mm$ and BFO is monoclinic $Cc$-II. These findings quantitatively demonstrates that the interface charge mismatch can have a tremendous impact on the physical properties of oxide superlattices. Our simple and general method allows one to model and quantify accurately these effects, and most importantly to rationalize them in terms of intuitive physical concepts. In summary, we have discussed a general theoretical framework to predict the behavior of charge-mismatched superlattices. We have showed that the effect of the interface stoichiometry, which we describe via the “compositional” interface charge $\sigma_{\rm int}$, is quite dramatic, and needs to be properly accounted for in the models. More generally, we argue that $\sigma_{\rm int}$ can be regarded, in addition to $\lambda$ and $a$, as a further degree of freedom in designing oxide heterostructures with tailored functionalities, opening exciting new avenues for future research. ###### Acknowledgements. This work was supported by MICINN-Spain [Grants No. MAT2010-18113 and No. CSD2007-00041], and the CSIC JAE-DOC program (C.C.). We thankfully acknowledge the computer resources, technical expertise and assistance provided by RES and CESGA. ## References * (1) P. Ghosez and J. Junquera, J. Comp. Theor. Nanosci. 5, 2071 (2008). * (2) C. Lichtensteiger et al., in Oxides Ultrathin Films: Science and Technology, edited by G. Pacchioni and S. Valeri, Ch. 12, 265 (Wiley-VCH, Germany, 2011). * (3) M. 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arxiv-papers
2014-02-14T16:08:50
2024-09-04T02:49:58.246930
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Claudio Cazorla and Massimiliano Stengel", "submitter": "Claudio Cazorla", "url": "https://arxiv.org/abs/1402.3513" }
1402.3618
arxiv-papers
2014-02-14T23:02:43
2024-09-04T02:49:58.258133
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Satya Mandal", "submitter": "Satya Mandal", "url": "https://arxiv.org/abs/1402.3618" }
1402.3742
# Geometrical Approximation to the AdS/CFT Correspondence M. A. Martin Contreras, J. M. R. Roldan Giraldo High Energy Group, Department of Physics, University of los Andes [email protected]@uniandes.edu.co ###### Abstract In this paper an analysis of the geometrical construction of the AdS/CFT Correspondence is made. A geometrical definition of the configuration manifold and the boundary manifold in terms of the conformal compactification scheme is given. As a conclusion, it was obtained that the usual definition of the correspondence [2] is strongly dependent of the unicity of the conformal class of metrics on the boundary. Finally, a summary of some of the geometrical issues of the correspondence is made, along with a possible way to avoid them. ## 1 Introduction Gravity/Gauge duality is maybe one of the most important developments of the latest times in String Theory. From its very begining, dual models have been applied in many areas different from High Energy Physics or Black Hole Physics. Any branch of Physics that exhibits phase transitions can be modeled using dual models[1]. The central idea of Gravity/Gauge duality is the geometrical connection existing between any Gravity Theory (Superstrings, for example) in $d+1$ dimensions to a QFT living in $d$ dimensions. In fact, it can be said that _we can extract information about QFT from spacetime_ , and viceversa. This is just a conjecture, and it still needs a proof. Once the connection between bulk and boundary is stablished, the next step is to write of a proper holographic dictionary, allowing to switch between gravity and QFT. AdS/CFT Correspondence [2] is the most relevant realization of the Gravity/Gauge duality, but is not the only successful one. Some examples of this kind of duality are the Klebanov–Strassler duality [3] or the NS5–branes/LST [4]. In all the three cases mentioned above, the bulk is a non–compact manifold endowed with gravity, such that the dual gauge theory is encoded in its asymptotic behavior. ## 2 AdS/CFT Correspondence in a Nutshell The most representative holographic duality is the AdS/CFT Correspondence (Maldacena 1998). In this duality we link gravity in a weakly curved AdS${}_{5}\,\times\,S^{5}$ with a CFT in $3+1$ dimensions, which is in the conformal boundary of AdS. AdS/CFT Correspondence has strong/weak duality too, which relates SUGRA backgrounds at strong coupling with CFT at weak coupling. Thanks to this, it has been possible to construct toy models for thermal (non perturbative) QCD, as for example, the dual models of QGP using Dp/Dq branes as gravitational background. The idea behind the AdS/CFT Correspondence is the geometrical connection between the isomeries of AdS and the conformal group. To be more precise, since AdS is a maximally symmetric space, its isomeries are holomorphic to the Poincare Group. This implies that, at inner level, AdS and any CFT are _essentially_ the same thing. The statement of the correspondence is $Z_{\text{String}}\left[\phi,\mathcal{M}\right]=Z_{CFT}\left[\phi_{0},\mathcal{O};\partial\,\mathcal{M},\eta\right],$ (1) where $\mathcal{M}$ is the manifold where gravity lies, $\phi$ is a bulk field with $\phi_{0}$ as the value at the conformal boundary $\partial\mathcal{M}$. The conformal boundary carries a metric in a fixed conformal class $[\eta]$. The conjecture stablishes that $\phi_{0}$ acts as a Schwinger source for any CFT operator $\mathcal{O}$ living on $\partial\,\mathcal{M}$. This is the essence of the correspondence. Some remarks. The conjecture in principle can be made with any background $\mathcal{M}$ that satisfies string equations of motion and has a the pair $\left(\partial\,\mathcal{M}\,,\eta\right)$. Since the solution is not unique, i.e., the charts over $M$ are not trivial, the correlation functions are dependent from the choice of coordinates. As a conclusion, it is possible to obtain different holographies according to the choice of chart. For example, in the Maldacena’s original proposal, the Anti de Sitter space is covered partially with a Poincare chart $AdS_{5}$ that picks up one of the two folds of the hyperbolic space, fixing a conformal boundary at the origin of the radial coordinate of $AdS_{5}$. This conformal boundary has a topology of $\mathbb{R}^{1,3}$. Choices of different charts on Anti de Sitter space lead to boundaries as $\mathbb{R}^{4}$, $S^{1}\times S^{3}$, $S^{1}\times\mathbb{R}^{3}$ or $S^{1}\times\mathbb{H}^{3}$ [6]. All of these topologies are diffeomorphical between each other. This has a deeper implication in the foundations of the correspondence, because different charts could lead to different dualities. The utility of the correspondence comes in the calculation procedure, encoded in the holographic dictionary, which is the relation between the bulk and the boundary physics. Since the Anti de Sitter radius and the string lenght are free parameters, it is possible to take a low energy limit in (1) in order to reduce the string generating function to a supergravity one, $W_{CFT}\left[\phi_{0},\mathcal{O};\partial\,\mathcal{M},\eta\right]=-\text{ln}\,Z_{CFT}\left[\phi_{0},\mathcal{O};\partial\,\mathcal{M},\eta\right]=\sum_{i}Z_{\text{SUGRA}}\left[\phi,\mathcal{M}_{i}\right]+O\left(\frac{1}{N}\right)+O\left(\frac{1}{\sqrt{\lambda}}\right),$ (2) where the sum in the supergravity action appears to take into account the chart dependence. The supergravity description is valid only for the large $N$ and large ’tHooft coupling $\lambda$. Note that the supergravity action can carry divergences due to infinite volume or IR behaviour. These divergences must be renormalized [7] and could lead to anomalies. The dictionary is obtained following the saddle point approximation and the functional standard techniques from the supergravity on-shell action: $\langle\mathcal{O}\left(x_{1}\right)\,\mathcal{O}\left(x_{2}\right)...\mathcal{O}\left(x_{n}\right)\rangle_{CFT}=\left.\frac{\delta^{n}S_{\text{SUGRA}}^{\text{on- shell}}\left[\phi_{0},...\right]}{\delta\phi_{0}\left(x_{1}\right)...\phi_{0}\left(x_{n}\right)}\right|_{\text{Sources}=0}.$ (3) Expresion (3) tells how to connect fields in both sides. For example, the dilaton is related with the string coupling. For each possible supergravity action a dictionary can be constructed. This is the path followed, for example, in AdS/QCD models [8]. ## 3 Geometrical Approximation to the Correspondence ### 3.1 Formal Aspects Geometrically speaking, the correspondence is build up using the complex geometry language. Consider a open $n+1$-dimensional manifold $\left(M,g\right)$. This manifold $M$ will be the configuration space for the possible physical states on the bulk. Along with this manifold, we define a closed $n+1$-dimensional manifold $(\tilde{M},\tilde{g})$ with no empty $n$-dimensional boundary $\partial\tilde{M}$, such that $M\subset\tilde{M}$. A complete Riemmann metric $g$ on $M$ is called _conformally compact_ 111Conformally compact is equivalent to Penrose compact. if a function $f\in\,\Omega_{0}(\tilde{M})$ on $\tilde{M}$ exist such that $\tilde{g}=f^{2}\,g,$ (4) with $f^{-1}\left(0\right)=\partial\tilde{M}$ and $df$ is not zero on $\partial\tilde{M}$. Such a function is called a _defining_ function [9]. The metric $\tilde{g}$ is called _compactification_ of the metric $g$. The compactification defines an induced metric $\eta=\tilde{g}|_{\partial\tilde{M}}$ on $\partial\tilde{M}$. There are many defining functions, and hence many conformal compactifications of a given metric $g$, then the choice of $\eta$ is not unique. This problem can be avoided using the conformal class $[\eta]$ (called conformal infinity) of $\eta$ on $\partial\tilde{M}$ defined by conformal transformations of $\eta$. Recall that $[\eta]$ is uniquely determined by the pair $(M,g)$. Physically, the choice of $[\eta]$ implies that the causal structure of spacetime is conserved under conformal transformations. The pair $(\partial\tilde{M},\eta)$ with $\eta\in[\eta]$, defines the _conformal boundary_ , where the CFT operators are constructed. Since the symmetries of $M$ and $\partial\tilde{M}$ must be the same222Both manifolds must have the same causal structure., the moduli space of $\partial\tilde{M}$, $\mathcal{M}_{\partial\tilde{M}}$ is defined by $\mathcal{M}_{\partial\tilde{M}}=\text{Teich}(M)/\text{MCG}(M)$, since both manifolds must have the same conformal stucture because they are diffeomorphic. Following the discussions above, the entire moduli space of $M$, $\mathcal{M}$, is restricted by the choice of a conformal class $[\eta]$, thus not all the metrics $g$ on $M$ will contribute to the partition function on the bulk. The restricted moduli space of $M$, $\mathcal{M}_{(\partial\tilde{M},[\eta])}$, is defined as the set of all the conformally compact metrics $g$ on $M$ [10]. Under these ideas, the AdS/CFT Correspondence can be summarized saying that given any bulk data $(M,g)$, it is possible to construct (or obtain) a boundary $(\partial\tilde{M},[\eta])$ by means of the conformal compactification scheme (4), i.e, $\overbrace{Z\left(\partial\tilde{M},[\eta]\right)}^{\text{Boundary}}=\overbrace{\sum_{g\in\mathcal{M}_{(\partial\tilde{M},[\eta])}}Z\left(g,M\right).}^{\text{Bulk}}$ (5) Following physical arguments from AdS/CFT Correspondence, $M$ must be 10-dimensional.Thus, in order to have a conformal boundary as $\mathbb{R}^{(1,3)}$, $M$ has to be decomposed into $M=\mathbb{H}^{5}\times X^{5}$, with $X^{5}$ some compact space, such that in the compactification limit $M\backsim\mathbb{R}^{2,4}\subset\mathbb{H}^{5}$, as in the AdS/CFT Correspondence, in which $M$ is factorized as $AdS_{5}\times S^{5}$. All the metrics $g$ that satisfies these conditions are the so called _asymptotically hyperbolic Einstein metrics_. ### 3.2 Geodesic Compactifications Any compactification (4) with a defining function given by $f_{g}=\text{Dist}_{g}\left(x,M\right)$ is called _geodesic_ [9, 10]. These compactifications are useful for computational purposes, and because given a conformal infinity $[\eta]$ of $(M,g)$ exists a unique geodesic defining function $f_{[\eta]}$ that has $\eta\in[\eta]$ as a boundary metric. Following the Gauss lemma, the compactificacion $\tilde{g}$ can be expanded into $\tilde{g}=dr^{2}+g_{f},$ (6) where $g_{f}$ is a family of metrics on $\partial\tilde{M}$. The Fefferman–Graham expansion [11] of $g$ is a truncated Taylor-type expansion of the family of metrics $g_{f}$, that depends on the dimensionality $n$ of $M$. The exact form of the series depends on whether $n$ is even or odd. In a general case, the series can be written as $g_{f}=g_{\left(0\right)}+r\,g_{\left(1\right)}+r^{2}\,g_{\left(2\right)}+\ldots+r^{n}\,g_{\left(n\right)}+\text{terms depending of even or odd }n,$ (7) where $\eta:=g_{\left(0\right)}$ and the coefficients $g_{\left(k\right)}$ with $1<k<n$ are locally fixed by the curvature of $\eta$ and its covariant derivatives. The extra terms depending on the even–odd character of $n$ are calculated from the Einstein equations for $\eta$. The $g_{\left(n\right)}$ term is a little more complex. For even dimensions, $g_{\left(n\right)}$ is transverse traceless, but is determined by global properties of $M$. In odd dimensions, $g_{\left(n\right)}$ is not traceless but is still determined by global aspects of $M$. The $g_{\left(n\right)}$ factor corresponds to the stress–energy tensor of the CFT living in $\partial\tilde{M}$. Mathematically, these expansions can be obtained by compactifying the Einstein equations and taking Lie derivatives of $\tilde{g}$ with $f_{g}=0$: $g_{\left(k\right)}=\frac{1}{k!}\,\mathcal{L}_{\tilde{\nabla}f_{g}}^{\left(k\right)}\tilde{g}.$ (8) If the metric is Hoelder, all the expansions hold up to order $m+\alpha$, with $\alpha$ the Hoelder exponent. As a conclusion, knowing $g_{\left(0\right)}$ and $g_{\left(n\right)}$ allow to construct the bulk metric field $g$ from the expansion (7). The real problem here is to know the convergence of the series and how its inclusion may introduce anomalies [12]. ### 3.3 General Decomposition of $M$ Until now, all of the approach to the conjecture was classical, i.e, real manifolds only. A quantum approach (thinking on strings instead of supergravity) requires a more general factorization $M=X\times Y$, where $X\in\mathbb{H}^{5}$ and $Y$ is a 5-dimensional Calabi–Yau manifold. The Calabi-Yau manifold can be justified on the grounds that classical mechanics requires a simplectic structure while quantum mechanics requires complex structure to implement unitarity. The main problem with these structures lies on the construction of Calabi-Yau metrics. This problem can be partially avoided by considering $Y$ as a 5-dimensional Sasaki-Einstein manifold [13]. ## 4 Geometrical Issues As it was said above, the central idea for the construction of the conjecture is the existence of a conformal infinty $[\eta]$ that fixes a conformal boundary $\partial\tilde{M}$. This process is highly depending on the convergence of the Fefferman-Graham expansion (7), which could introduce undesirable anomalies due to the holographic renormalization. But this is not the only problem. In a realistic approximation, Gravity/Gauge duality suggests that any quantum field theory must have a string dual. The large $N$ and large $\lambda$ limits restrict the possible dual models to the AdS/CFT Correspondence, that is no realistic. Leaving aside the limits, to obtain a non-conformal holography would imply the naive idea of taking a different background from Type IIB supergravity. Advances in this scenario were given by Skenderis and Taylor with their precision holography [14]. The idea is to categorize all the possible $X$ manifolds in the decomposition $M=X\times Y$ into spaces that are _asymptotically AdS_ and those which are not. Asymptotically AdS spaces are related to the usual 10-dimensional $AdS_{n+2}\times S^{8-n}$ through a Weyl transformation. This transformation redefines the coupling constant of the QFT on the conformal boundary including an energy scale with no trivial running. As a conclusion from [14], only on asymptotically AdS spaces it is possible to do non conformal holography. This implies that holographic extension only can be made on AdS-like spaces. Another issue arises when the index theory comes into play. Following [9, 13], the conjecture is build up in conformal boundaries, where the index of any pseudodifferential operator is well defined. When closed and compact manifolds are considered, the index theorem fails. This problem leads to the consideration of the definition and the role of the boundary in AdS/CFT Correspondence [10]. ## 5 Conclusions AdS/CFT Correspondence is strongly related to the concept of conformal boundary. The construction of this boundary is dependent on the chosen charts, thus the holographic dictionary (3) is not univocally. The usual chart used to do holography is the Poincare chart. Non-conformal extensions are made relaxing the conformal symmetry of $AdS_{5}\times S^{5}$. The choice of a Calabi-Yau (or a Sasaki–Einstein) manifold as the compact space in the factorization $AdS_{5}\times Y^{5}$, besides the relaxation of the large $N$ and large $\lambda$ limits could lead to string/QFT duality. ## References * [1] E. Papantonopoulos, Editor. _From Gravity to Thermal Gauge Theories: The AdS/CFT Correspondence_. Springer. 2011. * [2] J. M. Maldacena._The large N limit of superconformal field theories and supergravity_ Adv. Theor. Math. Phys. 2, 231 (1998). [arXiv:hep-th/9711200]. * [3] I. R. Klebanov, M. J. Strassler, _Supergravity and confining gauge theory: Duality Cascades and $\chi$SB-resolution of Naked Singularities_, JHEP 0008:052 (2000) [arXiv:hep-th/0007191]. * [4] O. Aharony, M. Berkooz, D. Kustasov, N. Seiberg. _Linear Dilatons, NS5-branes and holography_ , JHEP 9810:004 (1998) [arXiv:hep-th/9808149] * [5] E. Witten, _Anti-de Sitter Space, Thermal Phase Transition, and Confinement in Gauge Theories_. arXiv:hep-th/9803131v2. 1998. * [6] C. A. Ballon Bayona, N. R. F. Braga, _Anti-de Sitter boundary in Poincare coordinates_. Gen. Rel. Grav. 39: 1367-1379,(2007). * [7] I. Papadimitriou, K. Skenderis. _AdS/CFT Correspondence and Geometry_. IRMA Lectures in Mathematics and Theoretical Physics: AdS/CFT Correspondence: Einstein Metrics and their Conformal Boundaries, (2005). * [8] U. Gursoy, E. Kiritsis. _Exploring improved holographic theories for QCD Part 1_. JHEP 0802, 019 (2008). * [9] M. T. Anderson. _Geometrical Aspects of the AdS/CFT Correspondence_. IRMA Lectures in Mathematics and Theoretical Physics: AdS/CFT Correspondence: Einstein Metrics and their Conformal Boundaries, (2005). * [10] M. Sanchez. _Causal boundaries and holography on wave type spacetimes_. Nonlinear Analysis 71, e1744e1764 (2009). * [11] C. Fefferman, C. Graham. _Conformal invariants_. Ellie Cartan et les mathematiques d’aujourd’hui (1984), Asterisque (1985), 95 - 116. * [12] C. R. Graham, E. Witten. _Conformal Anomaly Of Submanifold Observables In AdS/CFT Correspondence_. Nucl. Phys. B 546: 52-64 (1999). * [13] J. P. Gaunttlet, D. Martelli, J. Sparks, D. Waldram. _Supersymmetric AdS backgrounds in String and M-theory_. IRMA Lectures in Mathematics and Theoretical Physics: AdS/CFT Correspondence: Einstein Metrics and their Conformal Boundaries, (2005). * [14] I. Kanitscheider, K. Skenderis, M. Taylor. _Precision Holography for non-conformal branes_. JHEP 09, 094 (2008).
arxiv-papers
2014-02-16T01:26:53
2024-09-04T02:49:58.268265
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Miguel Angel Martin Contreras, Jose Maria Rolando Roldan", "submitter": "Miguel Angel Martin Contreras", "url": "https://arxiv.org/abs/1402.3742" }
1402.3847
# Towards the reproducibility in soil erosion modeling: a new Pan-European soil erosion map Claudio Bosco European Commission, Joint Research Centre, Institute for Environment and Sustainability Via E. Fermi 2749, I-21027 Ispra (VA), Italy Daniele de Rigo European Commission, Joint Research Centre, Institute for Environment and Sustainability Via E. Fermi 2749, I-21027 Ispra (VA), Italy Politecnico di Milano, Dipartimento di Elettronica e Informazione Via Ponzio 34/5, I-20133 Milano, Italy Olivier Dewitte European Commission, Joint Research Centre, Institute for Environment and Sustainability Via E. Fermi 2749, I-21027 Ispra (VA), Italy Luca Montanarella European Commission, Joint Research Centre, Institute for Environment and Sustainability Via E. Fermi 2749, I-21027 Ispra (VA), Italy This is the authors’ version of the work. It is based on a poster presented at the Wageningen Conference on Applied Soil Science, http://www.wageningensoilmeeting.wur.nl/UK/ Cite as: Bosco, C., de Rigo, D., Dewitte, O., Montanarella, L., 2011. Towards the reproducibility in soil erosion modeling: a new Pan-European soil erosion map. Wageningen Conference on Applied Soil Science “Soil Science in a Changing World”, 18 - 22 September 2011, Wageningen, The Netherlands. Author’s version DOI: 10.6084/m9.figshare.936872 Abstract Soil erosion by water is a widespread phenomenon throughout Europe and has the potentiality, with his on-site and off-site effects, to affect water quality, food security and floods. Despite the implementation of numerous and different models for estimating soil erosion by water in Europe, there is still a lack of harmonization of assessment methodologies. Often, different approaches result in soil erosion rates significantly different. Even when the same model is applied to the same region the results may differ. This can be due to the way the model is implemented (i.e. with the selection of different algorithms when available) and/or to the use of datasets having different resolution or accuracy. Scientific computation is emerging as one of the central topic of the scientific method, for overcoming these problems there is thus the necessity to develop reproducible computational method where codes and data are available. The present study illustrates this approach. Using only public available datasets, we applied the Revised Universal Soil loss Equation (RUSLE) to locate the most sensitive areas to soil erosion by water in Europe. A significant effort was made for selecting the better simplified equations to be used when a strict application of the RUSLE model is not possible. In particular for the computation of the Rainfall Erosivity factor (R) the reproducible research paradigm was applied. The calculation of the R factor was implemented using public datasets and the GNU R language. An easily reproducible validation procedure based on measured precipitation time series was applied using MATLAB language. Designing the computational modelling architecture with the aim to ease as much as possible the future reuse of the model in analysing climate change scenarios is also a challenging goal of the research. ## Introduction Despite the implementation of a variety of models for estimating soil erosion by water in Europe [1], there is still a lack of harmonization of assessment methodologies. Often, distinct approaches lead to significantly different soil erosion rates and even when the same model is applied to the same region the results may differ. This can be due to the way the model is implemented (i.e. with the selection of different algorithms when available) and/or to the use of datasets having distinct resolution or accuracy. Scientific computation is emerging as one of the central topic within environmental modelling [2], to overcome these problems there is thus the necessity to develop reproducible computational methods based on free software and data [3, 4], and to also reuse – in a controlled way – empirical equations for compensating the lack of detailed data. The present study illustrates such an approach. Using only public available datasets (SGDBE [5], SRTM [6], CLC and E-OBS [7]) , we applied a derived version of the Revised Universal Soil loss Equation (RUSLE) [8] to locate the most sensitive areas to soil erosion in Europe. We decided to use a RUSLE- based approach because of the flexibility and least data demanding of the model [10, 9]. A significant effort was made [11, 12] toward reproducibility and to select the better simplified equations to be used when a strict application of the model is not possible. In particular for the computation of the Rainfall Erosivity factor (R) the reproducible research paradigm was applied. ## The model The Revised Universal Soil Loss Equation (RUSLE) has been extended by including a correction factor $St_{c,Y}$ able to consider the stoniness: $\begin{array}[]{lcl}Er_{c,Y}&=&R_{c,Y}\>\cdot\>K_{c,Y}\>\cdot\>L_{c,Y}\>\cdot\>S_{c,Y}\>\cdot\\\\[2.84526pt] &&C_{c,Y}\>\cdot\>St_{c,Y}\>\cdot\>P_{c,Y}\end{array}$ where the factors refer to a specific grid cell $c$ and represent the annual average for a certain set of years $Y={y_{1},\cdots,y_{i},\cdots,y_{n_{Y}}}$ (R factor) or – where data are stable or missing – the values corresponding to a temporally more localized set of data: $\begin{array}[]{lcl}Er_{c,Y}&=&\text{average annual soil loss }\\\ &&(t\>ha^{-1}\>yr^{-1}).\\\\[4.2679pt] R_{c,Y}&=&\text{rainfall erosivity factor }\\\ &&(MJ\>mm\>ha^{-1}\>h^{-1}\>yr^{-1}).\\\\[4.2679pt] K_{c,Y}&=&\text{soil erodibility factor }\\\ &&(t\>ha\>h\>ha^{-1}\>MJ^{-1}\>mm^{-1}).\\\\[4.2679pt] L_{c,Y}&=&\text{slope length factor}\\\ &&\text{(dimensionless).}\\\\[4.2679pt] S_{c,Y}&=&\text{slope steepness factor}\\\ &&\text{(dimensionless).}\\\\[4.2679pt] C_{c,Y}&=&\text{cover management factor}\\\ &&\text{(dimensionless).}\\\\[4.2679pt] St_{c,Y}&=&\text{stoniness correction factor}\\\ &&\text{(dimensionless).}\\\\[4.2679pt] P_{c,Y}&=&\text{support practice aimed at}\\\ &&\text{erosion control (dimensionless).}\\\\[5.69054pt] \end{array}$ Advantages: simplicity and robustness. Limits: at this resolution and according to the uncertainties associated with the input data, this model is only relevant to locate the areas prone to soil erosion. Table 1: Public available datasets used for running the extended RUSLE model Factor | Data | Database ---|---|--- R [8, 13, 14, 15, 16] | Average daily precipitation | The European daily gridded dataset – E-OBS K [8] | Topsoil silt, clay, sand % | The database of European soils – SGDBE L [17] | Elevation | SRTM 90 m S [17] | Elevation | SRTM 90 m C [18, 19, 20] | Land cover classes | CORINE Land Cover St [21] | Percentage of stoniness | The database of European soils – SGDBE P | Set equal to 1 | — ### The implemented reproducible part of the model Rainfall erosivity factor. One of the main factors influencing soil erosion by water is the rainfall intensity. The $R$ factor measures the erosivity of precipitations. The composite parameter $EI^{30}$ has been identified by Wischmeier [22] as the best indicator of precipitation erosivity. For determining $EI^{30}$ the kinetic energy $E$ of rain is multiplied by the maximum rainfall intensity $I^{30}$ occurred in 30 minutes in every $k$-th precipitation event of the $i$-th year. The R factor represents the average, on a consistent set of data, of $n_{Y}$ sums of $EI^{30}$ values. Each sum is computed for the whole set of $n_{y_{i}}^{\text{event}}$ precipitation events in the $i$-th year: $\begin{array}[]{ll}R_{c,Y}&=\quad\displaystyle\frac{1}{n_{Y}}\cdot\sum_{i=1}^{n_{Y}}\sum_{k_{i}=1}^{n_{y_{i}}^{\text{event}}}E_{c,k_{i}}\cdot I_{c,k_{i}}^{30}\\\\[11.38109pt] &=\quad\displaystyle\frac{1}{n_{Y}}\cdot\sum_{i=1}^{n_{Y}}\sum_{k_{i}=1}^{n_{y_{i}}^{\text{event}}}EI_{c,k_{i}}^{30}\end{array}$ Within the framework, the complete equation has been fully implemented to accurately estimate R where detailed time series of measured precipitation (10 to 15 minutes of time-step) have been made available across Europe. However, the scarcity of these accurate datasets and the desire to design a reusable framework for assessing water soil erosion at regional scale with only limited and approximated information motivated the creation of a climatic-based ensemble model for estimating erosivity from multiple available empirical relationships. The array programming paradigm [23, 24] was applied using MATLAB language [25] and GNU Octave [26] computational environment. Within that paradigm, a semantic-constraint oriented support was adopted by exploiting the Mastrave library [27, 28]. Figure 1: Soil erosion rate by water $(tha^{-1}yr^{-1})$ estimated applying the extended RUSLE model. Figure 2: Climatic similarity estimated applying the Relative Distance Similarity (RDS) to the Bollinne equation (Belgium) for rainfall erosivity. The similarity of 26 climatic indicators over the whole Europe is shown (red: maximum similarity; blue: maximum dissimilarity) and aggregated computing respectively the mean (A1), median (A2), minimum (A3) and geometric mean (A4). Multiple layers of geospatial data over a wide spatial extent may naturally be modelled as corresponding arrays (e.g. here raster grids of heterogeneous - coarser or denser - spatial resolution have been used). Geoprocessing is required for the layers to be transformed in arrays with harmonised projection and datum. Array programming has been introduced by Iverson [23] in order for the gap between algorithm implementation and mathematical notation to be mitigated. As Iverson underlined, “the advantages of executability and universality found in programming languages can be effectively combined, in a single coherent language, with the advantages offered by mathematical notation” [23]. Following this approach, prototyping complex algorithms can benefit from a compact array-based mathematical semantics. This way, the mathematical reasoning is relocated directly into the source code, actually the only place where the mathematical description is completely formalised and reproducible. The semantic array programming paradigm [27, 28] (here applied [29]) has been designed to support nontrivial scientific modelling with the help of two additional design concepts: * • modularizing complex data-transformations in autonomous tasks by means of general and concise sub-models, possibly suitable of reuse in other context. A harmonised predictable convention in module interfaces also relies on self- documenting the code; * • semantically constraining the information flow in each module (input and output variables and parameters) instead of relying on external assumptions (e.g. instead of assuming the correctness of input information structured as an object). In the present application, the R factor climatic-based ensemble model was implemented using public datasets and a novel methodology was applied for merging together multiple empirical equations. This was done by extending the original geographical domain of validity of each equation to similar areas. The climatic similarity has been based on the relative-distance similarity methods of Mastrave [27]. The climatic layers have been computed by using GNU R language [30] and GNU Octave. The R factor computational framework will be available as free software [31]. ### Climatic ensemble modelling using Relative-Distance Similarity The ensemble modelling procedure was applied to 7 empirical equations based on significant correlations between climatic information (such as average annual precipitation, Fournier modified index, monthly rainfall for days with $\geq 10.0\,mm\,$, …) and locally measured erosivity of 4 geographical areas: Algarve (Portugal), Belgium, Bavaria (Germany) and Sicily (Italy) [13, 14, 15, 16]. Similarity maps with respect to the climatic conditions of each equation’s geographical domain have been computed based on the relative distance (dimensionless) between pan-European maps of 26 climatic indicators and the corresponding indicators’ values of the equation area of validity. The behaviour of each empirical equation outside its definition domain was also assessed for preventing meaningless out-of-range values to degrade the ensemble estimation. The aggregated similarities for each equation have been normalized for estimating the ensemble erosivity map using weighted median [32, 27] of the 7 empirical models. The contribution of each empirical equation based on its aggregated similarity was accounted to estimate a qualitative trustability map of the ensemble generalization. As a whole, the ensemble model is therefore a reproducible, unsupervised data-transformation model applied to climatic data to reconstruct erosivity. Figure 3: Climatic similarity estimated applying the Relative Distance Similarity (RDS) to the equation of de Santos Loureiro and de Azevedo Coutinho (Algarve) for rainfall erosivity. The similarity of 26 climatic indicators over the whole Europe is shown (red: maximum similarity; blue: maximum dissimilarity) and aggregated computing respectively the mean (B1), median (B2), minimum (B3) and geometric mean (B4). ## Conclusions A lightweight architecture has been proposed to support environmental modelling within the paradigm of semantic array programming [27, 28]. The applied methodology benefits from the array programming paradigm with semantic constraints to concisely implement models as semantically enhanced composition of interoperable modules. An application for estimating the pan-European soil erosion by water, using a revised version of the RUSLE model, has been carried out merging existing empirical rainfall-erosivity equations within a climatic ensemble model based on the novel relative-distance similarity. An accurate estimation of the rainfall erosivity factor, applying the proposed architecture, has been implemented and will be used for validating simplified R-factor equations. ## Next Steps The proposed architecture is designed to ease the future integration, within the same lightweight framework, of erosion-related natural resources models [11, 29]. In particular, forest resources and wildfires[33], natural vegetation [34] and agriculture will be considered as key land cover factors under different climate change scenarios. Acknowledgments. 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H., Pleguezuelo, C. R., 2009. Soil-Erosion and runoff prevention by plant covers: A review. In: Lichtfouse, E., Navarrete, M., Debaeke, P., Véronique, S., Alberola, C. (Eds.), Sustainable Agriculture. Springer Netherlands, pp. 785-811. DOI:10.1007/978-90-481-2666-8_48 Google Scholar: 9825776700428271277
arxiv-papers
2014-02-16T22:10:42
2024-09-04T02:49:58.277566
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Claudio Bosco, Daniele de Rigo, Olivier Dewitte and Luca Montanarella", "submitter": "Daniele de Rigo", "url": "https://arxiv.org/abs/1402.3847" }
1402.3933
# A Directed Continuous Time Random Walk Model with Jump Length Depending on Waiting Time Long Shi1,2, Zuguo Yu1,3, Zhi Mao1, Aiguo Xiao1 1Hunan Key Laboratory for Computation and Simulation in Science and Engineering and Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education, Xiangtan University, Xiangtan, Hunan 411105, China. 2Institute of Mathematics and Physics, Central South University of Forest and Technology, Changsha, Hunan 410004, China. 3School of Mathematical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane, Q4001, Australia. Corresponding author, e-mail: [email protected] or [email protected] ###### Abstract In continuum one-dimensional space, a coupled directed continuous time random walk model is proposed, where the random walker jumps toward one direction and the waiting time between jumps affects the subsequent jump. In the proposed model, the Laplace-Laplace transform of the probability density function $P(x,t)$ of finding the walker at position $x$ at time $t$ is completely determined by the Laplace transform of the probability density function $\varphi(t)$ of the waiting time. In terms of the probability density function of the waiting time in the Laplace domain, the limit distribution of the random process and the corresponding evolving equations are derived. ## 1\. Introduction The continuous time random walk (CTRW) theory, which was introduced by Montroll and Weiss [1] to study random walks on a lattice, has been applied successfully in many fields (see, e.g., the reviews [2-4] and references therein). In continuum one-dimensional space, a CTRW process is generated by a sequence of independent identically distributed (IID) positive waiting times $T_{1},T_{2},T_{3},\cdots$, and a sequence of IID random jump lengths $X_{1},X_{2},X_{3},\cdots$. Each waiting time has the same probability density function (PDF) $\varphi(t),t\geq 0$, and each jump length has the same PDF $\lambda(x)$ (usually chosen to be symmetric $\lambda(x)=\lambda(-x)$). Setting $t_{0}=0,t_{n}=T_{1}+T_{2}+\cdots+T_{n}$ for $n\in N$ and $x_{0}=0,x_{n}=X_{1}+X_{2}+\cdots+X_{n},x(t)=x_{n}$ for $t_{n}\leq t<t_{n+1}$, we get a microscopic description of the diffusion process [5]. If $\\{X_{n}\\}$ and $\\{T_{n}\\}$ are independent, the CTRW is called decoupled. Otherwise it is called coupled CTRW [6]. The decoupled CTRW, which is completely determined by mutually independent random jump length and random waiting time, has been widely studied in recent years [3-20]. In some applications it becomes important to consider coupled CTRW [7-8]. The coupled CTRW can be described by the joint PDF $\phi(x,t)$ of jump length and waiting time. Because $\phi(x,t)dxdt$ is the probability of a jump to be in the interval $(x,x+dx)$ in the time interval $(t,t+dt)$, the waiting time PDF $\varphi(t)=\int_{-\infty}^{+\infty}\phi(x,t)dx$ and the jump length PDF $\lambda(x)=\int_{0}^{+\infty}\phi(x,t)dt$ can be deduced. Some kinds of couplings and correlations were proposed in [21-25], where the symmetric jump length PDF is chosen. For the coupled CTRW, there exist two coupled forms: $\phi(x,t)=\lambda(x)\varphi(t|x)$ and $\phi(x,t)=\varphi(t)\lambda(x|t)$. The first coupled form has been studied sufficiently in many literatures [8, 21-23]. The famous model is Lévy walk. Recently, we considered the second coupled form, discussed the asymptotic behaviors of the coupled jump probability density function in the Fourier-Laplace domain, and derived the corresponding fractional diffusion equations from the given asymptotic behaviors [25]. In this work, we introduce a directed CTRW model with jump length depending on waiting time (i.e. $\phi(x,t)=\varphi(t)\lambda(x|t),x>0,t>0$). In our model, the Laplace-Laplace transform [26] of $P(x,t)$ of finding the walker at position $x$ at time $t$ is completely determined by the Laplace transform of $\varphi(t)$. Generally, CTRW processes can be categorised by the mean waiting time $T=\int_{0}^{+\infty}t\varphi(t)dt$ being finite or infinite. Here we find that the long-time limit distributions of the PDF $P(x,t)$ are a Dirac delta function for finite $T$ and a beta-like density for infinite $T$, the corresponding evolving equations are a standard advection equation for finite $T$ and a pseudo-differential equation with fractional power of coupled space and time derivative for infinite $T$. This paper is organized as follows. In section 2, we introduce the basic concepts of the coupled CTRW. In section 3, a coupled directed CTRW model is introduced. In section 4, the limit distributions and the corresponding evolving equations of the coupled directed CTRW model are derived. The conclusions are given in section 5. ## 2\. The coupled continuous time random walk Now we recall briefly the general theory of CTRW [3]. Let $\eta(x,t)$ is the PDF of just having arrived at position $x$ at time $t$. It can be expressed by $\eta(x^{\prime},t^{\prime})$ (the PDF of just having arrived at position $x^{\prime}$ at time $t^{\prime}<t$) as: $\eta(x,t)=\int_{-\infty}^{+\infty}dx^{\prime}\int_{0}^{+\infty}dt^{\prime}\eta(x^{\prime},t^{\prime})\phi(x-x^{\prime},t-t^{\prime})+\delta(x)\delta(t).$ (1) Then, the PDF $P(x,t)$ with the initial condition $P(x,0)=\delta(x)$ can be described by the following integral equation [3] $P(x,t)=\int_{0}^{t}\eta(x,t^{\prime})\omega(t-t^{\prime})dt^{\prime},$ (2) where $\omega(t)=1-\int_{0}^{t}\varphi(\tau)d\tau$ is the probability of not having made a jump until time $t$. Let $\widehat{f}(k)$ and $\widetilde{g}(s)$ be the transforms of Fourier and Laplace of sufficiently well-behaved (generalized) functions $f(x)$ and $g(t)$ respectively, defined by $\widehat{f}(k)={\cal F}\\{f(x);k\\}=\int_{-\infty}^{+\infty}f(x)e^{ikx}dx,\hskip 14.22636ptk\in R,$ (3) $\widetilde{g}(s)={\cal L}\\{g(t);s\\}=\int_{0}^{+\infty}g(t)e^{-st}dt,\hskip 14.22636pts>s_{0}.$ (4) After using the Fourier-Laplace transforms and the convolution theorems for integral equation (2), one can obtain the following famous algebraic relation [3] $\widehat{\widetilde{P}}(k,s)=\frac{1-\widetilde{\varphi}(s)}{s}\cdot\frac{1}{1-\widehat{\widetilde{\phi}}(k,s)}.$ (5) ## 3\. A coupled directed CTRW model In Ref. [23], the author considered a CTRW model with waiting time depending on the preceding jump length, where the author supposed that the PDF of the waiting time is a function of a preceding jump length. In that model, the author introduced a natural ”physiological” analogy: after making a jump one needs time to rest and recover. The longer the jump distance is, the recovery and the waiting time needed are longer. This is an interesting hypothetical physiological example. Motivated by this, we consider a directed CTRW model with jump length depending on the waiting time and give an analogue physiological explanation. A directed CTRW model with jump length depending on the waiting time can be generated by a sequence of IID positive waiting times $T_{1},T_{2},T_{3},\cdots$, and a sequence of jumps $X_{1},X_{2},X_{3},\cdots$. each waiting time has the same PDF $\varphi(t),t\geq 0$. Every time jump has the same direction and each jump length has the same conditional PDF $\lambda(x|t),x\geq 0$, which is the PDF of the random walker making a jump of length $x$ following a waiting time $t$. A natural assumption is that the jump length is proportional to the waiting time. So we can take the simplest jump length PDF as $\lambda(x|t)=\delta(x-vt),v>0$. Without the loss of generality, we take $v=1$ in the following discussion. Setting $t_{0}=0,t_{n}=T_{1}+T_{2}+\cdots+T_{n}$ for $n\in N$ and $x_{0}=0,x_{n}=X_{1}+X_{2}+\cdots+X_{n},x(t)=x_{n}$ for $t_{n}\leq t<t_{n+1}$, we get a directed CTRW process, where the joint PDF $\phi(x,t)$ can be expressed by $\phi(x,t)=\varphi(t)\delta(x-t)$. A physiological explanation can be made as follows: the walker has a random time for a rest to supplement energy, then makes a jump. The longer the rest time is, the jump length can be longer. Since the variable $x$ takes positive values in proposed directed CTRW model, it is convenient to replace the Fourier transform for variable $x$ in the formula (5) by the Laplace transform (i.e. $\widetilde{f}(k)={\cal L}\\{f(x);k\\}=\int_{0}^{+\infty}f(x)e^{-kx}dx$) to obtain the following Laplace-Laplace relation [26]: $\widetilde{\widetilde{P}}(k,s)=\frac{1-\widetilde{\varphi}(s)}{s}\cdot\frac{1}{1-\widetilde{\widetilde{\phi}}(k,s)}.$ (6) Since $\begin{array}[]{lll}\widetilde{\widetilde{\phi}}(k,s)&=&\int_{0}^{+\infty}dt\int_{0}^{+\infty}\phi(x,t)e^{-kx- st}dx\\\ \\\ &=&\int_{0}^{+\infty}dt\int_{0}^{+\infty}\varphi(t)\delta(x-t)e^{-kx-st}dx\\\ \\\ &=&\int_{0}^{+\infty}\varphi(t)e^{-(s+k)t}dt\\\ \\\ &=&\widetilde{\varphi}(s+k),\end{array}$ (7) Eq.(6) is recast into $\widetilde{\widetilde{P}}(k,s)=\frac{1-\widetilde{\varphi}(s)}{s}\cdot\frac{1}{1-\widetilde{\varphi}(s+k)}.$ (8) The $n$th ($n=1,2$) moment of $P(x,t)$ is given by $\begin{array}[]{lll}\langle x^{n}\rangle(t)&=&\int_{0}^{+\infty}x^{n}(t)P(x,t)dx\\\ \\\ &=&(-1)^{n}\frac{\partial^{n}}{\partial k^{n}}\widetilde{P}(k,t)\mid_{k=0}\\\ \\\ &=&{\cal L}^{-1}\\{\frac{1-\widetilde{\varphi}(s)}{s}\cdot(-1)^{n}\frac{\partial^{n}}{\partial k^{n}}\frac{1}{1-\widetilde{\varphi}(s+k)}\mid_{k=0}\\}.\end{array}$ (9) In the following section, we will study the possible behaviors of $P(x,t)$ and its $n$th ($n=1,2$) moment. ## 4\. The limit distributions of the coupled directed CTRW model From Eq.(8), we can see that the Laplace-Laplace transform of PDF $P(x,t)$ is completely determined by the Laplace transform of the waiting time PDF $\varphi(t)$. Usually, the random waiting time is characterized by its mean value $T$. It may be finite or infinite. For finite mean waiting time $T$, the Laplace transform of $\varphi(t)$ is of the form $\widetilde{\varphi}(s)=1-sT+o(s),\hskip 14.22636pts\rightarrow 0.$ (10) Substituting Eq.(10) into Eq.(8), in the limit $(k,s)\rightarrow(0,0)$, we get the asymptotic relation $\widetilde{\widetilde{P}}(k,s)\sim\frac{1-(1-sT)}{s}\cdot\frac{1}{1-(1-(s+k)T)}=\frac{1}{s+k}.$ (11) After taking the inverse Laplace transforms for Eq.(11) about $k$ and $s$, we have $P(x,t)=\delta(x-t).$ (12) For long times $\langle x\rangle(t)=t,$ (13) $\langle x^{2}\rangle(t)=t^{2}.$ (14) From Eq.(11), we get $s\widetilde{\widetilde{P}}(k,s)-1+k\widetilde{\widetilde{P}}(k,s)=0.$ (15) Using ${\cal L}\\{\frac{\partial P(x,t)}{\partial t};s\\}=s\widetilde{P}(x,s)-P(x,0)$, ${\cal L}\\{\frac{\partial P(x,t)}{\partial x};k\\}=k\widetilde{P}(k,t)-P(0,t)$, initial condition $P(x,0)=\delta(x)$ and natural boundary conditions, we obtain the partial differential equation $\frac{\partial P(x,t)}{\partial t}+\frac{\partial P(x,t)}{\partial x}=0,$ (16) which is the standard advection equation. In many applications, one needs to consider a long waiting time (i.e. $T$ is infinite), it is natural to generalize Eq.(10) to the following form: $\widetilde{\varphi}(s)=1-s^{\beta}+o(s^{\beta}),\hskip 14.22636pts\rightarrow 0,0<\beta\leq 1.$ (17) Inserting Eq.(17) into Eq.(8), in the limit $(k,s)\rightarrow(0,0)$, we get the asymptotic relation $\widetilde{\widetilde{P}}(k,s)\sim\frac{1-(1-s^{\beta})}{s}\cdot\frac{1}{1-(1-(s+k)^{\beta})}=\frac{s^{\beta-1}}{(s+k)^{\beta}}.$ (18) After taking the Laplace inverse transform for Eq.(18) about $s$, one has $\begin{array}[]{lll}\widetilde{P}(k,t)&=&\frac{t^{-\beta}}{\Gamma(1-\beta)}\ast[e^{-kt}\frac{t^{\beta-1}}{\Gamma(\beta)}]\\\ \\\ &=&\int_{0}^{t}e^{-k\tau}\frac{\tau^{\beta-1}(t-\tau)^{-\beta}}{\Gamma(\beta)\Gamma(1-\beta)}d\tau,\end{array}$ (19) where we use the formulas ${\cal L}\\{t^{\beta-1};s\\}=\frac{\Gamma(\beta)}{s^{\beta}}$ for $\beta>0$, ${\cal L}\\{e^{-at}g(t);s\\}=\widetilde{g}(s+a)$ and ${\cal L}\\{(f\ast g)(t);s\\}=\widetilde{f}(s)\widetilde{g}(s)$. According to the formula (9) and Eq.(19), for long times, one gets $\langle x\rangle(t)=\beta t,$ (20) $\langle x^{2}\rangle(t)=\frac{\beta(\beta+1)}{2}t^{2}.$ (21) Then taking the Laplace inverse transform for Eq.(19) about $k$, the following form is obtained $\begin{array}[]{lll}P(x,t)&=&\int_{0}^{t}\delta(x-\tau)\frac{\tau^{\beta-1}(t-\tau)^{-\beta}}{\Gamma(\beta)\Gamma(1-\beta)}d\tau\\\ \\\ &=&\frac{x^{\beta-1}(t-x)^{-\beta}}{\Gamma(\beta)\Gamma(1-\beta)},\end{array}$ (22) which is the density of a random variable $tB$, where $B$ has a Beta distribution with parameters $\beta$ and $1-\beta$. From Eq.(19), we can also obtain $(s+k)^{\beta}\widetilde{\widetilde{P}}(k,s)=s^{\beta-1},$ (23) which leads to the pseudo-differential equation [27-28] $(\frac{\partial}{\partial t}+\frac{\partial}{\partial x})^{\beta}P(x,t)=\delta(x)\frac{t^{-\beta}}{\Gamma(1-\beta)}$ (24) with a coupled space-time fractional derivative operator on the left-hand side. Eq.(24) is useful to model flow in porous media and other physical systems characterized by a link between the waiting time and the jump length. ## 5\. Conclusions In this work, we introduce a directed CTRW model with jump lengths depending on waiting times. By the Laplace-Laplace transform technique, we find that the PDF $P(x,t)$ is determined only by the waiting times PDF $\varphi(t)$. For finite and infinite mean waiting time, we deduce the limit distributions of $P(x,t)$ from the asymptotic behaviors of $\varphi(t)$ in the Laplace domain respectively. The corresponding evolving equations are also derived. For finite mean waiting time, the limit behavior of the PDF $P(x,t)$ is governed by a standard advection equation. For infinite mean waiting time, the limit behavior of the PDF $P(x,t)$ is governed by a pseudo-differential equation with coupled space-time fractional derivative. We also calculate the first order moment $\langle x\rangle(t)$ and the second order moment $\langle x^{2}\rangle(t)$ of $P(x,t)$. An interesting phenomenon is obtained: there exist the relations $\langle x\rangle(t)\sim t$, $\langle x^{2}\rangle(t)\sim t^{2}$, whether the mean waiting time is finite or not. ## Acknowledgements This project was supported by the Natural Science Foundation of China (Grant Nos. 11371016 and 11271311), the Chinese Program for Changjiang Scholars and Innovative Research Team in University (PCSIRT) (Grant No. IRT1179), the Research Foundation of Education Commission of Hunan Province of China (grant no. 11A122), the Lotus Scholars Program of Hunan province of China. ## References * [1] E.W. Montroll, G.H. Weiss, Random walks on lattices II, J. Math. Phys. 6 (1965), 167-181. * [2] J.P. Bouchaud, A. Georges, Anomalous diffusion in disordered media: statistical mechanisms models and physical applications. Phys. Rep. 195 (1990), 127-293. * [3] R. Metzler, J. 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arxiv-papers
2014-02-17T09:12:39
2024-09-04T02:49:58.286149
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Long Shi, Zuguo Yu, Zhi Mao, Aiguo Xiao", "submitter": "Zu-Guo Yu", "url": "https://arxiv.org/abs/1402.3933" }
1402.3951
# Trends in Computer Network Modeling Towards the Future Internet Jeroen van der Ham Mattijs Ghijsen Paola Grosso Cees de Laat E-mail: {vdham, m.ghijsen, p.grosso, delaat}@uva.nl ###### Abstract This article provides a taxonomy of current and past network modeling efforts. In all these efforts over the last few years we see a trend towards not only describing the network, but connected devices as well. This is especially current given the many Future Internet projects, which are combining different models, and resources in order to provide complete virtual infrastructures to users. An important mechanism for managing complexity is the creation of an abstract model, a step which has been undertaken in computer networks too. The fact that more and more devices are network capable, coupled with increasing popularity of the Internet, has made computer networks an important focus area for modeling. The large number of connected devices creates an increasing complexity which must be harnessed to keep the networks functioning. Over the years many different models for computer networks have been proposed, and used for different purposes. While for some time the community has moved away from the need of full topology exchange, this requirement resurfaced for optical networks. Subsequently, research on topology descriptions has seen a rise in the last few years. Many different models have been created and published, yet there is no publication that shows an overview of the different approaches. ## 1 Introduction Communication networks, such as the Internet, play a fundamental role in modern societies and economies. It is nearly superfluous to remind anybody of the many changes that have occurred in the last twenty years since the invention of the World Wide Web and the wide adoption of the TCP/IP protocol suite. Less known is that the role of networks is becoming even more central in emerging ICT architectures. In these new infrastructures, which are labeled as Future Internet, there is a much more integrated operation of networking, computing and storage devices. All these components are being managed and monitored in a coordinated manner in order to deliver services to applications and end users. One basic rule holds for both the current Internet and the upcoming Future Internet platforms: the design, planning, management and monitoring of the network rely on the knowledge of its topology. A network topology provides in fact information on the location of devices and on the connections between them; this information in turn gives a view of the physical and logical structure of the network. Topologies are expressed as network models, and we use these two terms interchangeably in this article. Topology information needs to be available to all devices within the network to operate properly, to external tools that act on the network and to applications that use the network. We see three main challenges for network models. * • _Handling different abstraction levels:_ From a devices perspective there is a wide range of topology details needed: at the edges of the network knowledge can be as minimal as knowing where the next hop is, while within the core devices require much more information. * • _Managing multi-domain communication and path setup:_ External tools that operate on the network need to be aware of the network or to provide metadata of the network; monitoring tools require a comprehensive model to describe all relevant details of computer networks and the connections through them, while bandwidth-on-demand tools used in circuit switched networks will only need to exchange some detail of network topology to be able to efficiently plan connections. * • _Integration with computing-network-storage-planning services:_ Once applications become more dependent on performance of the computer network they need more detailed models to be able to express their requirements, and closely monitor network performance. In this article we provide an overview of some of the most used and well known network models. It is our intention to guide the reader through a historical journey that ultimately clarifies the need for new modeling approaches to support the Future Internet. To this end we first look at network descriptions in the history of the Internet in section 2. We then provide a categorisation of network models (section 3). Following our model categorisation we present management models (section 4), monitoring models (section 5) and generic models (section 6). We also introduce the existing Future Internet model (section 7). Section 8 provides an overview and discussion on the current state of network models research. We conclude the article with a summary and the upcoming research challenges in section 9. ## 2 Historical Role of Network Descriptions Figure 1: ARPANET logical map, March 1977, an example of early network models Before delving into current network modelling efforts that aim to support the Future Internet, it is helpful to understand the role and evolution that network descriptions have had in the past years. We will show that networks have evolved from the original packet-switched architectures, to use optical circuit-switched designs to finally converge towards the Future Internet hybrid models, i.e. networks offering both packet and circuit switching services. We will also show that during this evolution there is one constant requirement that has not changed: the need to exchange information about the network topology. For packet-switched networks topology information is needed for the operation of routing protocols, for circuit- switched and hybrid networks it is required for the creation of dedicated connections among end-points. ### Packet-switched networks Topology descriptions have been used to support computer networking activities since the start of the Internet. The most commonly used technique to capture a network topology is of course a graphical representation. One of the obvious drawback of this method is that it does not scale well as the network becomes larger, making automated tools necessary. Fig. 1 shows an early representation of the ARPANET[62]. This network started out with just four nodes in 1969, but quickly grew larger. The figure shows a large network with many devices and connections which is hard for humans to grasp in its entirety. The ARPANET originally used Interface Message Processors (IMPs) to route messages through the network[44]. These IMPs performed regular delay measurements to all destinations, and then broadcasted the result. These results were combined and then stored to function as a sort of distance-vector protocol. Over the years the routing between IMPs was gradually improved, until in 1983 the ARPANET switched over to TCP/IP. Research on TCP/IP had already been going on during the seventies on several test networks[26]. During this time the Routing Information Protoocol[45] was also developed, implementing a distance-vector protocol. Distance-vector protocols form an abstract view of the network, using the distance and general direction as a way to select the forwarding interface. Similar to this is the path-vector Border Gateway Protocol [53, 58] which rely on operator defined paths in the network, serving most backbone networks in the Internet. These protocols no longer need a complete picture of the network. Instead, each router has a (different) aggregated view of the network, gathered from exchanging aggregated information with others. During the late 70s and early 80s several different link-state routing protocols were developed, among them IS-IS and OSPF[57, 59]. Link-state routing protocols broadcast messages containing the states of links, and where they directly connect to. Traditionally this broadcasting is limited to smaller areas, and not the whole network. Within an area, all routers do form a complete view of the topology, and use this to calculate the shortest path tree. Link-state networks are mostly used in local networks. When relying on distance vector protocols full topology distribution is no longer a requirement. However, having a full network description available is still needed by link-state protocols and it can in general still be helpful in monitoring or problem detection. In both cases the transfer of information regarding the topology is done directly by the network nodes. ### Circuit-switched and hybrid networks The methods to derive knowledge on the network topology we just described have been driven by the routing protocols, and as such they are only applicable to packet-switched networks. They are not very useful in the context of circuit- switched or hybrid networks. Models better suited for these latter situations have emerged in the past years. For circuit-switched networks full topology distribution is still required. In order to send data from a source to a destination in a circuit-switched network, a circuit must be configured. In telephony networks dynamic provisioning is achieved by using strict addressing, aggregated static routes, and large capacity[46]. For circuits in data networks this is not feasible, since there is no strict numbering plan, and the overall capacity compared to the circuits is not that great. Asynchronous Transfer Mode tried to merge the world of circuit-switched networking with packet-switched networking. There the Private Network-to- Network Interface [60] was used to relay topology information, and also included some ideas on topology aggregations. In the end, ATM never became very widely adopted, and is not currently in mainstream use. GMPLS with its Path Computation Element[28] takes a different approach for inter-domain path computation. Instead of sharing topology information, every request in the network is broadcast to peers. The route of the request is recorded and replied along the same path to implement a circuit reservation request. While technically feasible, this approach poses problems as the number of requests goes up. While GMPLS is implemted intra-domain, we have not seen inter-domain deployments. A different approach is seen in hybrid networking[29]. Many research and educational networks are currently offering circuits on their own network, and recently also started experimenting with inter-domain circuits[61]. Here the topology of a domain needs to be exported in full or in an abstracted way to the neighboring domains. The representation of the network needs to be consistent and agreed upon, such that inter-domain circuit provisioning tools can take decisions on how to engineer a circuit. While the ARPANET and Internet have moved away from the need of full topology exchange, the need for topology description and exchange has risen again for optical networks. Subsequently, research on topology descriptions has also seen a rise in the last few years. Many different models have been created and published, yet there is no publication that shows an overview of the different approaches. ## 3 Topology Categories The historical perspective we just gave provides a sense of why models are needed, and how they have been used concretely. But it is also useful to categorise the various models in a more general way. We can, in fact, analyse and compare different computing models suitable for Future Internet infrastructures based on the following three features: 1. 1. their purpose from an application perspective, 2. 2. the range of infrastructure layers covered by the models, 3. 3. the functional scope covered by the models. An overview of these features and how they relate to each other is shown in Figure 2, where we provide two main blocks, i.e application and future internet infrastructures, and we position models in them according to their characteristics. Figure 2: Computing Infrastructure Models From an application perspective, we distinguish between three different models in terms of the type of application they support. * • _Management_ models are used in network-management applications or to restrict actions that can be taken on a network. * • _Monitoring_ models are used for external applications to describe the dynamic aspects of a computing infrastructure. * • _General_ infrastructure models are used for applications that require a static view of computing infrastructures. When starting from the infrastructure perspective, different models cover a different range of layers in the infrastructure. In this paper we distinguish between models that focus on a single technology layer of the infrastructure and models that cover multiple layers of technology. We also identify two different functional aspects of a Future Internet infrastructure that can be covered by a model. Most of the models discussed are focused on the network infrastructure that connects the different resources in the computing infrastructure while other models also include computing and storage capabilities of the Future Internet infrastructure. Besides the content, we will also take the modeling approach into account for comparing and analyzing different models. For this purpose we identify the following types: 1. 1. byte format, used in communication protocols and aimed at compact descriptions; 2. 2. database schema, used to describe the content of the database in which the instances of the infrastructure are stored; 3. 3. Unified Modeling Language, used to describe the classes and relations in an object oriented model; 4. 4. Extensible Markup Language (XML), used to provide a schema for the model and syntax that is application and programming language independent; 5. 5. Semantic-Web based models, i.e. models based on the Resource Description Framework or the Web Ontology Language, used to provide semantic models of future internet infrastructures. Table 1: Overview of model characteristics. Model | Main Purpose | Scope | Type | Standard Organization | References ---|---|---|---|---|--- SNMP | Management | Network | DB schema | IETF | [25][71] NetConf | Management | Network | XML | IETF | [34][35] OSPF(-TE)/GMPLS | Management | Network | byte format | IETF | [54] [38] CIM | Management | Network + Comp & Storage | UML + XML | DMTF | [33] DEN-ng | Management | Network + Comp & Storage | UML | DMTF | [63] perfSONAR/NMC | Monitoring | Network | XML | OGF | [22][43] cNIS | Monitoring | Network | DB schema | - | [11][20] MOMENT | Monitoring | Network + Comp. & Storage | OWL | - | [55] G.805/G.809/G.800 | General | Network | None | ITU | [47, 48, 49, 31] NDL | General | Network | RDF | - | [66][32][65] NML | General | Network | XML + OWL | OGF | [67] RSpec | Request | Comp & Network | XML | - | [9] VxDL | Request | Comp & Network | XML | - | [50] NDL-OWL | General | Network + Comp & Storage | OWL | - | [21, 69] NOVI/GEYSERS/INDL | General | Network + Comp & Storage | OWL | - | [68][64][40][41] In Table 1 we provide an overview of the models and their main characteristics discussed in the following sections. ## 4 Management Models Network management has used several different information models over the years, and newer models are being proposed. These models are mainly used for management of devices, or in protocols to exchange necessary topology information. They are generally aimed at specific applications, the information expressed in the protocols is not meant to be generically available nor extensible. ### 4.1 SNMP The Simple Network Management Protocol111Technically, the information model is formed by the MIBs, Management Information Bases, and SNMP denotes the whole set: protocol, information and data model.[25, 71] is a set of standards describing a protocol, a database schema, and data objects. The whole suite was originally created as a way of both monitoring and managing network resources. In current networks it is mainly used for monitoring purposes. Diagnostic, performance and configuration information of network devices can be retrieved from the Management Information Base (MIB) of devices using Simple Network Management Protocol (SNMP) messages. The MIB is a tree of name – value pairs, which can be requested and changed. The values are restricted to three different types of datatypes: integer, string and sequence of datatypes. A large part of the MIB tree is standardised, but vendors also have their own private part of the tree. This vendor space is used to store most configuration and performance data of their devices in a proprietary format. Virtually all networking devices support SNMP, with different levels of detail in their MIB. The network description provided by SNMP is distributed over the devices. Depending on the layer the device is operating on, it may have a pointer (address or identifier) to its neighbours on that layer. A view of the whole topology can be created by combining the information gathered from all the devices. ### 4.2 NetConf The Internet Engineering Task Force has recently worked to replace SNMP with a new standard, NetConf[34][35]. While SNMP uses its own protocol and only allows for three data-types, NetConf uses XML, allowing for many more data- types. NetConf defines a way of transporting monitoring data and change requests over a small set of existing protocols. NetConf is aimed at distributing diagnostic, performance and configuration information, but also for managing devices. NetConf is currently being introduced in networking devices. As NetConf follows similar principles as its predecessor, the network description provided by NetConf is similarly distributed over the managed devices. Each device will have information about the neighbour it connects to on the layer it operates on. The network topology can be created by combining the information of the devices in the network. ### 4.3 GMPLS GMPLS, Generalized Multi-Protocol Label Switching[54][38], is a protocol suite developed by the IETF for the provisioning and management of label-switched paths through multi-technology networks. It provides a unified control and management plane for the management of multi-layer networks. Networking devices use the Open Shortest Path First - Traffic Engineering (OSPF-TE) protocol to exchange topology data with their neighbours. Devices broadcast the received topology data to their other neighbours, so that in the end all the devices in the domain have the same view of the network topology. The topology data in OSPF-TE is exchanged in Link State Announcements packets inside network domains. The topology data contained therein is encoded in a compact byte format, using specifically defined header fields and Type-Length- Value containers. This format is designed to be easy to process and store for participating network devices, but it is hard to export to external applications. The message format is somewhat extensible, there is specific room for other applications to add data to the messages. The data must fit in the Type-Length-Value container, and can be processed by agents participating or listening to the OSPF-TE process. Since OSPF-TE is only used intra-domain, there is no inter-domain exchange of messages or information. In order to allow for inter-domain provisioning, the Path Computation Element architecture [37] has been defined. Generalized Multi-Protocol Label Switching (GMPLS) operators have expressed a desire to keep network topology data confidential, so the path computation architecture works by broadcasting requests, rather than by distributing topology information[28][23]. ### 4.4 CIM and DEN-ng The Common Information Model (CIM)[33] is a network device information model commonly used in enterprise settings. CIM is developed by the Distributed Management Task Force[1] and it is an object-oriented information model described using the Unified Modeling Language. This information model captures descriptions of computer systems, operating systems, networks and other related diagnostic information. CIM is a very broad and complex model, the current UML schemata of the network model span over 40 pages, the total model is over 200 pages. A mapping from CIM to XML is also defined, which is mainly used in Web-Based Enterprise Management. This is mainly implemented in enterprise-oriented computing equipment, and operating systems such as Windows and Solaris. The CIM model is highly expressive, and is still actively developped. There have been many significant changes in the infrastructure part of CIM over the past two years, both introducing new elements, as well as deprecating or changing existing elements. The CIM model is capable of capturing the complete physical setup, and almost everything with regards to the configuration of devices. The model is capable of capturing the information with a very high level of detail, yet provides almost no abstraction layer above this, making it very hard to reason generically using this model. A successor to CIM is the Directory Enabled Networking - next generation (DEN- ng) model, Directory Enabled Networking – next generation[63], which extends the CIM model also with description of business rules. The idea behind the model is that with the right software, the business rules combined with the capabilities of the devices can be automatically transformed into configurations of firewalls, user restrictions, et cetera. This requires that all configuration management is managed centrally, or at least by the same tools. ## 5 Monitoring Models The previous section provided an overview of management models, which are usually aimed at specific tools for network and device management. Many communities like to provide more generic access to monitoring data, so monitoring models have been created. These models can take output from different tools and combine them into a single model. ### 5.1 perfSONAR / NM and NMC An early model for network topology description is the perfSONAR[22][43] model. perfSONAR is a network monitoring architecture. It stores data from different measurement tools which are then made available publicly. This is particularly intended for inter-domain network connection debugging[70]. The perfSONAR architecture has been implemented by different partners, providing two different, compatible implementations. The model has later been brought to the Open Grid Forum (then Global Grid Forum)[7] for standardisation. This resulted in the Network Measurements Working Group (NM- WG)[6] which produced a standardised schema in 2009[3]. The NM-WG schema contains a base schema to describe network measurement tools, and their results. There is also a time schema to accurately describe time values in these measurements. Of particular interest here is the topology schema, which provides a basic representation of network topologies using hierarchical constructs in XML. This schema allows for a simple description of domains, nodes, ports and their connections. This schema is also used in the Inter-Domain Controller Protocol[30], which is currently in use in many circuit provisioning tools, e.g. OSCARS[42]. The OSCARS tool allows users to make circuit requests for the Energy Sciences Network (ESnet[18]), and has also been implemented on the Internet2 ION network[14]. The Network Measurement and Control WG has currently taken over the activities of the activities of the NM-WG and is continuing development of the measurements schema. The topology schema development has moved to the Network Markup Language, which we discuss later. ### 5.2 cNIS and AutoBAHN cNIS is the network topology description format for GÉANT network[19] and is used as basis for the AutoBAHN[20] bandwidth on demand system. The data model is implemented in a database schema[11]. This schema includes fixed descriptions of a set of layers used in the GÉANT network, such as Ethernet, and MPLS. The AutoBAHN bandwidth on demand system at first started with the cNIS, but later extended it towards their own model[24]. The AutoBAHN system uses a Domain Manager which maintains the local topology. This Domain Manager does automatic topology aggregation before exporting a topology to the Inter-Domain Manager. Interestingly, the Inter-Domain Manager uses extensible OSPF messages to exchange inter-domain topology information. The Stitching Framework[36] is also a GÉANT activity, and it describes a framework for ‘stitching’ together different technologies in bandwidth-on- demand systems in a multi-domain and multi-layer environment. It provides a framework to define the required information for creating connections across multi-domain multi-layer networks. The Stitching Framework has been integrated into the latest version of cNIS where it can stitch together the technologies defined there. It should be noted that the Stitching Framework is built generically, and could also be applied to other more expressive models. ### 5.3 Monitoring and Measurement Ontology The perfSONAR and NM-WG work served as an important inspiration for the Monitoring and Measurement Ontology (MOMENT) developed by ELTE[55]. This ontology has taken the initial concepts from NM-WG and implemented them into an Web Ontology Language (OWL)-based ontology. This ontology is mostly aimed at measurement tools and results, which using their OWL ontology, can both be expressed in great detail. The ontology allows an application to describe the exact circumstances of a measurement. For example that a traceroute command was performed at a certain time, the parameters of that command, a description of the network at that time, and the results of the command itself. These kinds of measurements can then be recorded in a database, where they can be easily correlated and analyzed using the generic description of the data. The MOMENT ontology has served as a way of describing data for the ETOMIC[56] infrastructure. This infrastructure consists of several nodes together forming a network measurement virtual observatory. The OWL-based ontology then makes it possible to easily share and reuse measurement data with others. The experiences of the MOMENT ontology have been used also in the development of the NOVI monitoring ontology. ## 6 General Models In the previous sections described management and monitoring models, which are aimed at management and monitoring applications respectively. Another category is the set of general models, which aim to provide a more general description of the network topology so that other applications can use them. ### 6.1 G.805, G.809 and G.800 A very generic set of models are the network models defined by the International Telecommunication Union (ITU). These models are theoretical models, in the sense that they have no explicit data model defined for them. However they are important to discuss here as they have identified and defined important terminology for network topology description, especially concerning multi-layer networks. In 2000 the ITU published the G.805 network model[47]. This model allows the description of all kinds of transport networks, and especially different layers and adaptations in that network. It is a very comprehensive, but also complex model. A more readable introduction is available[31]. The G.805 model allows the modelling of circuit-switched networks, and in 2003 the model was extended in G.809[48] to also model connection-less networks. Then in 2007 these models were combined, along with some others into G.800: ‘Unified functional architecture of transport networks’[49]. These models are very extensive and generic, allowing to describe any kind of existing network, but also future network technologies. The models have identified some fundamental concepts, such as: * • _Layers_ is defined as the set of connection points of the same technology, * • _Adaptations_ are the functions performed on data to transform it from one layer to another, * • _Labels_ identify different flows of data in a Layer. So as a simple example, VLAN tagged traffic is a specific Layer, the adding of a VLAN tag to a packet is an Adaptation, and the VLAN tag is used to identify a data flow among the other traffic. However, G.805, G.809 and G.800 are only graphical models, there is no data model underlying these information models, making them hard to use in practice. The models do provide a very fundamental theoretical groundwork, which is why NDL and NML have taken it as a source of inspiration. ### 6.2 Network Description Language In 2006 the University of Amsterdam published a method of using RDF to describe networks[66], called the Network Description Language (NDL). This uses a simple model to describe devices, interfaces and their connections. The descriptions would then be available to applications in a standard format. The initial idea was also to apply the distributed description capability of the semantic web, similar to the Friend of a Friend network[4]. This allows networks to independently describe their network topologies and link them together so that they together form a global description of the network. The initial model of NDL (v1) was simple, and in some ways similar to the model used by PerfSonar, but implemented in Resource Description Framework (RDF). Using ideas from G.805 we extended NDL to version 2, which describes multi-layer networks generically[32][65]. This model introduces a notation for the G.805 concepts of Layers, Adaptations and Labels. This allows for descriptions of any kind of network topology, ranging from physical networks to completely virtualised networks, and also the relations between those network layers. NDL has been used as one of the models on which the Network Markup Language is based, and also heavily influenced the design of the NOVI and GEYSERS information models. ### 6.3 Network Markup Language During 2007 efforts have been combined from PerfSonar, NM-WG and NDL to create a standard network topology information model. A new working-group was formed at the OGF called the Network Markup Language[2]. This group aims to create a generic network model that can be used for describing measurements, monitoring, describing topologies, and also requests. The Network Markup Language (NML) schema describes networks using uni- directional constructs. The unidirectional Port objects can be connected together, externally through Links or internally through a Node’s Crossconnect. The model also includes the capability of describing multi-layer networks based on the ideas from G.805 and NDL as described earlier. The unidirectional model causes the network model to be very verbose, however this allows the model to be more generic, as a unidirectional model can describe bidirectional networks, but vice versa this is not possible. The standardisation process has recently resulted in the publication of the first NML base schema[67]. To support different applications, NML has two different data models, one in XML and one in OWL. ## 7 Future Internet Models In recent years several initiatives have started to work on so-called Future Internet platforms. Examples are the GENI[12] initiative in the United States, and the FIRE[5] initiative in the Europe. From these several different projects have started, which we discuss below. #### 7.0.1 RSpec & RSpec v2 The GENI project[12] in the United States has been working on very large distributed virtualization infrastructures, such as PlanetLab[27, 16], and ProtoGENI[17]. These testbeds contain nodes distributed over different locations, connected to the Internet, where users can request virtual machines and conduct network experiments. Initially PlanetLab developed the Slice-based Federated Architecture (SFA) format to provide infrastructure and request descriptions. The first version of this format have been defined in Resource Specification (RSpec)[9]. This later evolved into ProtoGENI RSpec v2[10], which has been chosen as the standard interchange format for PlanetLab, and all other Global Environment for Network Innovations (GENI) platforms. The RSpec v2 format is a simple XML based format geared towards the specific use in virtual environments. It allows platforms and users to describe nodes, their virtualisation properties, and a very limited form of network connectivity. The format works very well with PlanetLab and compatible systems, but it is very hard to use when describing any other kind of network or infrastructure. #### 7.0.2 Virtual private eXecution infrastructure Description Language The Virtual private Execution infrastructure Description Language (VxDL) has been developed by INRIA and Lyatiss[50, 15]. VxDL uses an XML syntax to express infrastructure requests in varying levels of detail. Such a request consists of four parts: a general description, a description of non-network resources, a network topology, and the time interval for this reservation. VxDL is used in GRID5000[13], the GEYSERS project (see section 7.2, as well as a commercial product developed by Lyatiss. ### 7.1 Network Description Language OWL RENCI[8], a GENI participant, has also built an infrastructure, called ORCA- BEN[21, 69]. This infrastructure contains several locations with virtualisation capabilities, and a completely controllable optical network. In order to control and manage this they have extended NDLv2 to the OWL syntax, creating Network Description Language (NDL-OWL). This also extends NDL with more virtualisation and service description features to describe their infrastructure. These descriptions are then used in the client software to describe requests, but also in the management software to match the requests with the available infrastructure. The development of NDL-OWL and ORCA-BEN has been performed in the context of the GENI project, which means that ORCA-BEN is able to communicate with other GENI platforms, including platforms speaking RSpec v2. NDL-OWL is thus a superset of RSpec v2. ### 7.2 NOVI, GEYSERS and INDL The NOVI project aims to federate Future Internet platforms and one of the challenges of the NOVI Information Model is to interact with different platforms[68, 64]. Using NML in the information model provides the basis for interaction between NOVI and the FEDERICA and PlanetLab platforms. Not only does the information model have to map to concepts used in these platforms, it also needs to be able to accommodate interaction with other platforms that may be added to the federation in the future. By adding concepts from the MOMENT ontology also to the NOVI ontologies, users can easily use monitoring tools and data to get a comprehensive view of their requested infrastructure. The NOVI ontology suite allows a complete semantic description of a Future Internet federation. NOVI has ontologies for the infrastructure, but also for monitoring tools and results, as well as policy aspects and rules. Of special interest in the NOVI model is the _unit_ ontology, which generically describes the units used for capacity, measurements, et cetera. One of the key innovations of GEYSERS is to enable virtualisation of optical infrastructures. The GEYSERS Information Modeling Framework (IMF), is currently under development to provide an information model for the Logical Infrastructure Composition Layer [39]. This layer is the element responsible of managing physical resource virtualisation and composing Virtual Infrastructures. These are then offered as a service within the GEYSERS architecture. The information models in both NOVI and GEYSERS are used to both describe the infrastructure and also to allow users to express requests. Once an infrastructure request is handled by either system, the result is also described in the same information model and made available to the user. This description can then also be used to correlate data from the active monitoring tools. These platforms show that infrastructure provisioning is a complex interplay of different hardware and software tools, which benefits greatly from having an interoperable semantic model to exchange information. These models combine many aspects of the previous models, providing users with a single semantically compatible model for describing requests, physical and virtual infrastructure, as well as directly related monitoring information. The Infrastructure and Network Description Language (INDL)[40, 41] is an evolution of the Network Description Language, combined with the experiences in NOVI and GEYSERS. We have taken the general model from NML, and added capabilities to describe the virtualisation of nodes and infrastructure. The model is actually not that different from the model in NOVI and GEYSERS, but provides a more reusable model available for other Future Internet platforms. ## 8 Discussion Figure 3: An overview of different information models This article presented an overview of the current state-of-the-art of network description models, with the goal to show how these models are suitable to the needs of Future Internet platforms. Figure 3 shows an overview of the described information models and how they have influenced each other. This figure groups the models by intended usage: at the top of the figure we have the models more related to management; we then show the monitoring models, and below them the general models. The Future Internet models which combine the ideas of the monitoring and general models to form a complete ontology for future infrastructures are on the bottom and right side of the figure. The information models described in section 4 are aimed at describing purely functional topology and diagnostic information, making these management models. For example the GMPLS information model is aimed switches and routers. The data model is designed for compactness and is therefore not easy for other applications to understand, nor is it human readable. CIM and DEN-ng are also management models, albeit at a higher level, combining all the information of different low-level management models. This creates an aggregated management model at the enterprise level. The information models in these categories are both aimed at management, informing the direct operators of those machines. These management models are aimed specifically at a single task, which they perform very well. The models are used in isolated contexts and domains, and the models are not generic enough to be used in applications not specifically aimed at these contexts. Most of the other information models described in this article have some form of an XML data model and are thus more generally usable. The monitoring models, PerfSonar/NM-WG, cNIS and MOMENT, have been defined specifically to capture data from many different tools, and store and share them in a generic way. These monitoring models are targeted at capturing monitoring information, network measurement data along with topology data of those measurements. Unlike the management models, the measurement models aim to make the data as portable as possible so that different tools and applications can interpret the data, instead of a single management application. The network topology description elements of these models support the description of results, and are not that advanced in describing different technologies, or the dynamics between the technologies. The general models are aimed specifically at describing network topologies. The initial model of NDL was also not capable of describing multi-layer networks, but this changed due the influence of the ITU G.805, G.809 and G.800 models. The ITU models have very clearly identified and extensively defined a terminology for multi-layer networks. Using the generic (de)adaptation and labelling concepts it becomes possible to describe any kind of technology, without being dependent on a predefined notation for that technology. The NDL, and NML models aim at generic network descriptions that can be extended or embedded in other models. The intention of the generic models is to provide applications using the data enough information to act on the network, either by provisioning circuits or by adapting the applications behavior to the capabilities of the network. The general models have been very influential in the creation of most models of the Future Internet. The initial models, SFA and VxDL, created for the Future Internet have been limited models to allow users to easily describe their requests for virtual infrastructures. The later Future Internet models, NDL-OWL, NOVI, GEYSERS and INDL, have built on both these simpler request-like models, as well as the general models to support the management of the Future Internet testbeds. This support is both for users in clearly defining their requests and the resulting topology. But the model also supports the management of the testbed to describe in a single model the physical resources, as well as the reserved virtual infrastructures. The semantic web nature of the general models allow them to be easily incorporated in other models. Which is what we see happening somewhat in the NDL-OWL model, but even more so in the NOVI and GEYSERS models. The have taken the basic network models of NDL/NDL-OWL/NML and extended these ideas towards virtual infrastructures and also adapted the request models to form a single information model for Future Internet infrastructures. The NOVI model takes this another step further by also integrating the MOMENT monitoring and measurement ontology, forming a complete semantic network model. ## 9 Conclusion Our article documents a clear evolution in the modeling of networks and infrastructure toward supporting Future Internet operations. On one hand we have shown that management models have changed less, given they are all aimed at specific applications, and target very specific use-cases or tools. The hardware or chosen management software limits the choice for an information model in this case. On the other hand, monitoring, general, and Future Internet models have all evolved significantly. The evolution we have documented shows that from several different initiatives at first, there has been a convergence on the newly defined Network Markup Language standard. Many of the models were of direct influence to NML, so the standard is suitable for use in monitoring, provisioning as well as request modelling. The Future Internet models we are interested in have taken NML as their base model and extended it where necessary to describe resources beyond the network topologies. These extensions are also again converging in an extended model, INDL. ### 9.1 Challenges for Network Models Computer networks have become complex systems over the years and interactions with the network, especially circuit switched networks, should not be taken for granted. Our overview of the different models we presented demonstrates that creating an information model for computer networks is not a simple feat. This is even more true for Future Internet platforms: there, networking is becoming more and more ubiquitous and more integrated in the computing-storage fabric, making the management of computer networks a much more difficult task. We have identified three challenging areas for network models in the coming years: * • handling abstraction levels appropriately; * • managing multi-domain communication and path setups; * • integration with computing-networking-storage planning services. In 35 years we have moved from a situation where the entire Internet could be captured in a single figure (see Figure 1) to a situation where we are running out of IPv4 address, with many more devices hidden behind NAT solutions. Network management has no choice but to move with this pace, requiring higher abstraction levels. Network information models are a necessary prerequisite for creating these abstraction levels. Current models do not adequately handle different abstraction levels in the same models. Network descriptions are important in supporting path selection tools. Consider the architecture described by Lehman et al.[52] which points to the fact that an interoperable inter-domain topology description is necessary in order to allow path selection for multi-domain multi-layer circuit-based networking. Path selection in single layer networks is trivial, however in multi-layer networks it is much harder, and often NP-complete[51]. The generic way of describing network technologies enabled by the abstract models of G.805 and G.809 makes it possible to create generic path selection algorithms which will be able to handle many if not all existing and future network technologies. The way that network topologies are represented are an important factor in supporting the path selection process. The problem of multi-layer path selection has many similarities with matching requests with (virtual) infrastructures. The nodes and services that are part of the request can be seen as special kinds of links connected to the network, similar to multi-layer network requests. By using generic models the application can choose to solve this problem directly, or it can choose to carve the problem up and delegate subproblems to the relevant planning services. This will lead the way towards a complete Future Internet infrastructure. ## Acknowledgments This research was financially supported by SURFnet in the GigaPort-NG Research on Networks project and the Dutch national program COMMIT. ## List of Abbreviations BGP Border Gateway Protocol CIM Common Information Model DEN-ng Directory Enabled Networking - next generation DMTF Distributed Management Task Force FIRE Future Internet Research and Experimentation GENI Global Environment for Network Innovations GEYSERS Generalized Architecture for Dynamic Infrastructure ServicesAn FP7 EU Project GLIF Global Lambda Integrated Facility GMPLS Generalized Multi-Protocol Label Switching IEEE Institute of Electrical and Electronics Engineers IETF Internet Engineering Task Force IS-IS Intermediate System to Intermediate System ITU-T Telecommunication Standardization Sector (coordinates standards on behalf of the ITU) ITU International Telecommunication Union MIB Management Information Base MOMENT Monitoring and Measurement Ontology NDL-OWL Network Description Language OWL NDL Network Description Language NM-WG Network Measurements Working Group NMC Network Measurement and Control WG NML Network Markup Language NOVI Networking Over Virtualised InfrastructuresAn FP7 EU Project OGF Open Grid Forum OSPF-TE Open Shortest Path First - Traffic Engineering (An extension of OSPF) OSPF Open Shortest Path First OWL Web Ontology Language PNNI Private Network-to-Network Interface RDF Resource Description Framework RFC Request For Comments (an Internet Engineering Task Force (IETF) memorandum on Internet systems and standards) RIP Routing Information Protoocol RSpec Resource Specification SFA Slice-based Federated Architecture SNMP Simple Network Management Protocol VxDL Virtual private Execution infrastructure Description Language INDL Infrastructure and Network Description Language ## References * [1] Distributed Management Task Force (DMTF), 2006. * [2] The network markup language, 2007. * [3] An extensible schema for network measurement and performance data. 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Prentice Hall PTR, 1999. *[IS-IS]: Intermediate System to Intermediate System *[OSPF]: Open Shortest Path First *[GMPLS]: Generalized Multi-Protocol Label Switching *[SNMP]: Simple Network Management Protocol *[IETF]: Internet Engineering Task Force *[CIM]: Common Information Model *[DMTF]: Distributed Management Task Force *[DEN-ng]: Directory Enabled Networking - next generation *[NMC]: Network Measurement and Control WG *[OGF]: Open Grid Forum *[MOMENT]: Monitoring and Measurement Ontology *[OWL]: Web Ontology Language *[ITU]: International Telecommunication Union *[NDL]: Network Description Language *[RDF]: Resource Description Framework *[NML]: Network Markup Language *[RSpec]: Resource Specification *[VxDL]: Virtual private Execution infrastructure Description Language *[NDL-OWL]: Network Description Language *[MIB]: Management Information Base *[OSPF-TE]: Open Shortest Path First - Traffic Engineering (An extension of ) *[NM-WG]: Network Measurements Working Group *[NOVI]: Networking Over Virtualised InfrastructuresAn FP7 EU Project *[GEYSERS]: Generalized Architecture for Dynamic Infrastructure ServicesAn FP7 EU Project *[GENI]: Global Environment for Network Innovations *[FIRE]: Future Internet Research and Experimentation *[SFA]: Slice-based Federated Architecture *[]: *[INDL]: Infrastructure and Network Description Language
arxiv-papers
2014-02-17T10:15:16
2024-09-04T02:49:58.293972
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Jeroen van der Ham and Mattijs Ghijsen and Paola Grosso and Cees de\n Laat", "submitter": "Jeroen van der Ham PhD", "url": "https://arxiv.org/abs/1402.3951" }
1402.4015
# Diagrammatic Monte Carlo study of the Fermi polaron in two dimensions Jonas Vlietinck Department of Physics and Astronomy, Ghent University, Proeftuinstraat 86, 9000 Gent, Belgium Jan Ryckebusch Department of Physics and Astronomy, Ghent University, Proeftuinstraat 86, 9000 Gent, Belgium Kris Van Houcke Department of Physics and Astronomy, Ghent University, Proeftuinstraat 86, 9000 Gent, Belgium Laboratoire de Physique Statistique, Ecole Normale Supérieure, UPMC, Université Paris Diderot, CNRS, 24 rue Lhomond, 75231 Paris Cedex 05, France ###### Abstract We study the properties of the two-dimensional Fermi polaron model in which an impurity attractively interacts with a Fermi sea of particles in the zero- range limit. We use a diagrammatic Monte Carlo (DiagMC) method which allows us to sample a Feynman diagrammatic series to very high order. The convergence properties of the series and the role of multiple particle-hole excitations are discussed. We study the polaron and molecule energy as a function of the coupling strength, revealing a transition from a polaron to a molecule in the ground state. We find a value for the critical interaction strength which complies with the experimentally measured one and predictions from variational methods. For all considered interaction strengths, the polaron $Z$ factor from the full diagrammatic series almost coincides with the one-particle-hole result. We also formally link the DiagMC and the variational approaches for the polaron problem at hand. ###### pacs: 05.30.Fk, 03.75.Ss, 02.70.Ss ## I Introduction Experiments with ultracold gases are a powerful tool to investigate the (thermo)dynamics of quantum many-body systems under controlled circumstances. With Feshbach resonances feshbach , for example, one has the ability to tune the interaction strength. Optical potentials potential can be exploited to modify the dimensionality of the studied systems. The properties of a single impurity that interacts strongly with a background gas, for example, can be addressed with ultracold atoms. The so-called Fermi polaron problem refers to a single spin-down impurity that is coupled to a non-interacting spin-up Fermi sea (FS). This problem corresponds to the extreme limit of spin imbalance in a two-component Fermi gas Partridge06 ; Shin08 ; Nascim09 and has implications on the phase diagram of the strongly spin-polarized Fermi gas Pilati08 ; pietro ; Bertaina . At weak attraction, one expects a “polaron” state Chevy06 , in which the impurity is dressed with density fluctuations of the spin-up Fermi gas. Recent experiments have observed indications of a transition from this polaronic state to a molecular state (a two-body bound state of the impurity and an atom of the sea) upon increasing the attraction strength in three dimensions (3D) polaronMIT and in two dimensions (2D) kos . Experimentally, the 2D regime can be accomplished by means of a transverse trapping potential $V(z)=\frac{1}{2}m\omega_{z}^{2}z^{2}$ (here, $\omega_{z}$ is the frequency and $z$ is the transverse direction) that fulfills the condition $k_{B}T\ll\epsilon_{F}\ll\hbar\omega_{z}$ ($T$ is the temperature and $\epsilon_{F}$ is the Fermi energy of the FS). When excitations in the $z$ dimension are possible, one reaches the so-called quasi-2D regime jesper2 ; dyke . The purely 2D limit is reached for $\epsilon_{F}/\hbar\omega_{z}\rightarrow 0$ and will be the subject of this paper. The existence of a polaron-molecule transition in 3D has been predicted with the aid of the diagrammatic Monte Carlo (DiagMC) method polaron1 ; polaron2 ; polaron and of variational methods Chevy06 ; Punk09 ; Combescot09 ; Mora . For the latter, the maximum number of particle-hole (p-h) excitations of the FS is limited to one or two Chevy06 ; Punk09 ; Combescot09 ; Mora . One might naively expect that the role of quantum fluctuations increases in importance with decreasing dimensionality and that high-order p-h excitations could become more important in one and two dimensions. For the one-dimensional (1D) Fermi polaron the known analytical solution displays no polaron-molecule transition oneDexact . Like for the 3D polaron, the approximate method in which the truncated Hilbert space contains one p-h and two p-h excitations of the FS gives results for the 1D polaron approaching the exact solution oneD1 ; oneD2 . In 2D, the Fermi polaron properties have been studied with variational wave functions Zollner11 ; Parish11 ; Levinsen13 . To observe a polaron- molecule transition in 2D it is crucial to include particle-hole excitations in both the polaron and molecule wave functions Parish11 . In the limit of weak interactions, the 1p-h and 2p-h variational Ansätze for the polaron branch provide similar results. Surprisingly, this is also the situation for strong correlations Levinsen13 . In this work we focus on the 2D Fermi polaron for attractive interactions and study the role of multiple particle-hole (mp-h) excitations for the ground- state properties of the system. The quasiparticle properties of the polaron are computed with the DiagMC method. This technique evaluates stochastically to high order a series of Feynman diagrams for the one-particle and two- particle self-energies. For the details of the DiagMC method and the adopted method for determining the ground-state energies from the computed self- energies, we refer to Refs. polaron ; polaron2 . In this work we present DiagMC predictions for the interaction-strength dependence of the polaronic and molecular ground-state properties in 2D. We first briefly discuss the model and the diagrammatic method. We then discuss the results of the simulations, with particular emphasis on the role of the mp-h excitations. We also discuss how variational results for the polaron problem can be obtained within the DiagMC formalism. ## II Formalism We consider a two-component Fermi gas confined to 2D at temperature $T=0$. Even though we will consider the zero-range interaction in continuous space, we start from a lattice model to avoid ultraviolet divergences from the onset. The corresponding Hamiltonian reads $\hat{H}=\sum_{\mathbf{k}\in\mathcal{B},\sigma=\uparrow\downarrow}\epsilon_{\mathbf{k}\sigma}~{}\hat{c}^{\dagger}_{\mathbf{k}\sigma}\hat{c}^{\phantom{\dagger}}_{\mathbf{k}\sigma}\\\ +g_{0}\sum_{\mathbf{r}}b^{2}~{}\hat{\Psi}^{\dagger}_{\uparrow}(\mathbf{r})\hat{\Psi}^{\dagger}_{\downarrow}(\mathbf{r})\hat{\Psi}^{\phantom{\dagger}}_{\downarrow}(\mathbf{r})\hat{\Psi}^{\phantom{\dagger}}_{\uparrow}(\mathbf{r})\;,$ (1) with $\hat{\Psi}^{\phantom{\dagger}}_{\sigma}(\mathbf{r})$ and $\hat{c}^{\phantom{\dagger}}_{\mathbf{k},\sigma}$ being the operators for annihilating a spin-$\sigma$ fermion with mass $m_{\sigma}$ and dispersion $\epsilon_{\mathbf{k}\sigma}=k^{2}/2m_{\sigma}$ in position and momentum space. The components of the position vector $\mathbf{r}$ are integer multiples of the finite lattice spacing $b$. Further, $g_{0}$ is the bare interaction strength. The wave vectors $\mathbf{k}$ are in the first Brillouin zone $\mathcal{B}=]-\pi/b,\pi/b]$. The continuum limit is reached for $b\rightarrow 0$. We adopt the convention $\hbar=1$ and consider the mass- balanced case $m_{\uparrow}=m_{\downarrow}=m$. lattice with spacing $b$. We make use of the $T$ matrix landau for a single spin-$\uparrow$ and spin-$\downarrow$ fermion in vacuum, $-\frac{1}{g_{0}}=\frac{1}{\mathcal{V}}\sum_{\mathbf{k}\in\mathcal{B}}\frac{1}{\varepsilon_{B}+\epsilon_{\mathbf{k}\uparrow}+\epsilon_{\mathbf{k}\downarrow}}\;,$ (2) where $\mathcal{V}$ is the area of the system and $\varepsilon_{B}$ is the two-body binding energy [which depends on $m$, $g_{0}$, and $b$ and $\varepsilon_{B}(m,g,b)>0$] of a weakly bound state. Such a state always exists for an attractive interaction in 2D. With the above relation we eliminate the bare interaction strength $g_{0}$ in favor of the quantity $\varepsilon_{B}$. Moreover, the diagrammatic approach allows us to take the continuum limit $b\to 0$ and $g_{0}\to 0^{-}$ while keeping $\varepsilon_{B}$ fixed. Summing all ladder diagrams gives a partially dressed interaction vertex $\Gamma^{0}$: $\mbox{\raisebox{0.0pt}{\psfig{scale=0.3,clip={true}}}~{}}\;,$ (3) where the dot represents the bare interaction vertex $g_{0}$ and the lines represent bare-particle propagators for the spin-down impurity (dashed lines) and the spin-up Fermi sea (solid lines). In momentum-imaginary frequency this graphical representation corresponds to $[\Gamma^{0}(p,i\Omega)]^{-1}=g_{0}^{-1}-\Pi^{0}(p,i\Omega)\;,$ (4) with $\displaystyle\Pi^{0}(p,i\Omega)=\frac{1}{\mathcal{V}}\sum_{\mathbf{k}\in\mathcal{B}}\frac{H(|\frac{\mathbf{p}}{2}+\mathbf{k}|-k_{F})}{i\Omega-\epsilon_{\frac{\mathbf{p}}{2}-\mathbf{k}\downarrow}-\epsilon_{\frac{\mathbf{p}}{2}+\mathbf{k}\uparrow}+\mu+\varepsilon_{F}}\;,$ (5) with $H(x)$ being the Heaviside step function and $\mu<0$ being a free parameter representing an energy offset of the impurity dispersion. Further, $k_{F}$ and $\varepsilon_{F}=\frac{k_{F}^{2}}{2m}$ are the Fermi momentum and the Fermi energy of the spin-up sea. The combination of Eqs. (2) and (4) gives $\displaystyle\frac{1}{\Gamma^{0}(p,i\Omega)}=$ $\displaystyle-$ $\displaystyle\frac{1}{\mathcal{V}}\sum_{\mathbf{k}\in\mathcal{B}}\left[\frac{1}{\varepsilon_{B}+\epsilon_{\mathbf{k}\uparrow}+\epsilon_{\mathbf{k}\downarrow}}\right.$ (6) $\displaystyle+$ $\displaystyle\left.\frac{H(|\frac{\mathbf{p}}{2}+\mathbf{k}|-k_{F})}{i\Omega-\epsilon_{\frac{\mathbf{p}}{2}-\mathbf{k}\downarrow}-\epsilon_{\frac{\mathbf{p}}{2}+\mathbf{k}\uparrow}+\mu+\varepsilon_{F}}\right]\;.$ The relevant parameter that characterizes the interaction in Equation. (6) is $\epsilon_{B}$. Eq. (6) is well defined in the thermodynamic and $b\to 0$ limits. One finds $\displaystyle\frac{1}{\Gamma^{0}(p,i\Omega)}=\frac{m}{4\pi}~{}{\rm ln}\bigg{[}\frac{2\varepsilon_{B}}{-z+\sqrt{(z-\epsilon_{\mathbf{p}})^{2}-4\varepsilon_{F}\epsilon_{\mathbf{p}}}}\bigg{]}\;,$ (7) with $z\equiv i\Omega+\mu-\varepsilon_{F}$. In deriving the above expression for $\Gamma^{0}(p,i\Omega)$ we have taken $\mu<-\varepsilon_{F}$. Since Feynman diagrams for the self-energy will be evaluated in the momentum- imaginary-time representation $(p,\tau)$, we need to evaluate the Fourier transform $\Gamma^{0}(p,\tau)=\frac{1}{2\pi}\int_{-\infty}^{+\infty}~{}d\Omega~{}e^{-i\Omega\tau}~{}\Gamma^{0}(p,i\Omega)\;.$ (8) In order to determine the leading behavior of $\Gamma^{0}(p,\tau)$ for small $\tau$, we introduce the vertex function $\tilde{\Gamma}^{0}$, which differs from $\Gamma^{0}$ by ignoring the Fermi surface when integrating out the internal momenta. This amounts to ignoring the Heaviside function in Eq. (5). We obtain $\displaystyle\frac{1}{\tilde{\Gamma}^{0}(p,i\Omega)}=\frac{m}{4\pi}~{}{\rm ln}\bigg{[}-\frac{\varepsilon_{B}}{i\Omega+\mu+\varepsilon_{F}-\frac{\epsilon_{\mathbf{p}}}{2}}\bigg{]}\;.$ (9) In the $(p,i\Omega)$-representation, $\displaystyle\frac{1}{\Gamma^{0}}-\frac{1}{\tilde{\Gamma}^{0}}=\frac{m}{4\pi}{\rm ln}\bigg{[}\frac{-2(z+2\varepsilon_{F})+\epsilon_{\mathbf{p}}}{-z+\sqrt{(z-\epsilon_{\mathbf{p}})^{2}-4\varepsilon_{F}\epsilon_{\mathbf{p}}}}\bigg{]}\;.$ (10) The $(p,\tau)$ representation of $\tilde{\Gamma}^{0}$ is $\displaystyle\tilde{\Gamma}^{0}(p,\tau)$ $\displaystyle=$ $\displaystyle-\frac{4\pi\varepsilon_{B}}{m}e^{-(\frac{\epsilon_{\mathbf{p}}}{2}-\varepsilon_{F}-\mu)\tau}~{}\bigg{[}\int_{0}^{+\infty}dx\frac{e^{-x\varepsilon_{B}\tau}}{\pi^{2}+{\rm ln}^{2}(x)}$ (11) $\displaystyle+~{}e^{\varepsilon_{B}\tau}H(\frac{\epsilon_{\mathbf{p}}}{2}-\varepsilon_{F}-\varepsilon_{B}-\mu)\bigg{]}~{}H(\tau)$ for $\mu<-\varepsilon_{F}-\varepsilon_{B}$, ensuring that only $\tau>0$ contributes for all momenta $p$. The integral in Eq. (11) can be computed numerically, but converges poorly for $\tau\rightarrow 0^{+}$. Under those conditions we make use of the asymptotic behavior: $\int_{0}^{+\infty}dx\frac{e^{-x\varepsilon_{B}\tau}}{\pi^{2}+{\rm ln}^{2}(x)}\underset{\tau\rightarrow 0}{\sim}\frac{1}{\varepsilon_{B}\tau}\frac{1}{{\rm ln}^{2}(\varepsilon_{B}\tau)}\;.$ (12) To obtain $\Gamma^{0}(p,\tau)$ we computed numerically the following Fourier transform: $\displaystyle\Gamma^{0}(p,\tau)-\tilde{\Gamma}^{0}(p,\tau)$ $\displaystyle=$ $\displaystyle\frac{1}{2\pi}\int_{-\infty}^{+\infty}d\Omega~{}e^{-i\Omega\tau}$ (13) $\displaystyle\times$ $\displaystyle\left[\Gamma^{0}(p,i\Omega)-\tilde{\Gamma}^{0}(p,i\Omega)\right]\;.$ The left-hand side of Eq. (13) can be computed more easily than $\tilde{\Gamma}^{0}(p,\tau)$ as it contains no singularities. Next, the function $\Gamma^{0}(p,\tau)$ is obtained as $\tilde{\Gamma}^{0}(p,\tau)+\left[\Gamma^{0}(p,\tau)-\tilde{\Gamma}^{0}(p,\tau)\right]$. Although the functions $\tilde{\Gamma}^{0}(p,\tau)$ and $\Gamma^{0}(p,\tau)$ are extremely sharp and divergent for $\tau\to 0$, they are integrable. Special care should be taken when using these functions in the Monte Carlo code. It is important to correctly sample very short times, and one needs to make sure there is no loss of accuracy when keeping track of imaginary time differences of the $\Gamma^{0}$ lines in the diagrams. Figure 1: Graphical representation of the Dyson equation. The free (dressed) one-body impurity propagator is denoted by $G_{\downarrow}^{0}$ ($G_{\downarrow}$). $\Sigma$ and $\Pi$ are the one-body and two-body self- energies, respectively. $\Gamma$ is the fully dressed interaction, whereas $\Gamma^{0}$ is the partially dressed interaction as shown in Eq. (3). Just like for the 3D polaron problem polaron1 ; polaron2 ; polaron , we consider a diagrammatic series for the self-energy built from the free one- body propagators for the impurity and the spin-up Fermi sea and from the renormalized interaction $\Gamma^{0}$. We refer to this series as the _bare series_ , which we evaluate with the DiagMC method. The diagram topologies in 2D and 3D are exactly the same. The major differences between the diagrammatic-series evaluations in 2D and 3D are the renormalized interaction $\Gamma^{0}(p,\tau)$ and the phase-space volume elements. The one and two-body self-energies are related to the one-particle propagator $G$ and the fully dressed interaction $\Gamma$ by means of a Dyson equation, as illustrated schematically in Fig. 1. From the poles of $G$ and $\Gamma$ we can extract the polaron and the molecule energy, respectively. The fully dressed interaction is closely related to the two-particle propagator polaron . For the 3D Fermi polaron problem there are two dominant diagrams at each given order that emerge next to many diagrams with a much smaller contribution polaron . These dominant diagrams contribute almost equally but have opposite sign. In 2D, however, the numerical calculations indicate that at a given order the very same two diagrams dominate, but to a lesser extent; that is, the nondominant diagrams have a larger weight in the final 2D result. By _weight_ of a given diagram we mean the absolute value of its contribution to the self-energy. We note that the sign of a single diagram at fixed internal and external variables depends only on its topology and not on the values of the internal and external variables. We stress that this is not true for a Fermi system with two interacting components with finite density vanhoucke12 ; vanhoucke13 . In 2D the total weight of a given order (i.e., the sum of the absolute values of the contributions of diagrams) is distributed over more diagrams than in 3D. Because the sign alternation occurs over a broader distribution of the weights, we get more statistical noise in sampling the self-energy in 2D compared to 3D. In 3D we can evaluate the diagrammatic series for the one-body self-energy accurately up to order $12$, whereas in 2D we can reach order $8$. In principle, other choices for the propagators (“bare” versus “dressed” propagators) are possible, and this was discussed in detail for the 3D Fermi polaron in our previous paper polaron . Replacing the bare propagators by dressed ones reduces the number of diagrams at each given order. One may expect that this replacement could allow one to reach higher orders. For the 3D polaron, however, the most favorable conditions of cancellations between the contributions from the various diagrams were met in the bare scheme polaron . In the DiagMC framework a higher accuracy can be reached under conditions of strong cancellations between the various contributions. From numerical investigations with various propagators for the 2D Fermi polaron we could draw similar conclusions as in the 3D studies. Accordingly, all numerical results for the quasiparticle properties presented below are obtained for a series expansion with bare propagators. Figure 2: (Color online) Dependence of the polaron energy $E^{N}_{p}$ on the cutoff diagram order $N$. $E_{p}$ is the value obtained after extrapolation to $N\to+\infty$ (and resummation for $\eta=-0.25$). Results are shown for $\eta=-0.25,\eta=0.5,\eta=1.5$. The lines represent an exponential fit. To characterize the magnitude of the interaction strength we use the dimensionless parameter $\eta\equiv\text{ln}[k_{F}a_{2D}]=\text{ln}[2\varepsilon_{F}/\varepsilon_{B}]/2$. Here, $a_{2D}>0$ is the 2D scattering length, related to the dimer binding energy by $\varepsilon_{B}=1/(2m_{r}a_{2D}^{2})$ with $m_{r}=m_{\uparrow}m_{\downarrow}/(m_{\uparrow}+m_{\downarrow})$ being the reduced mass. The BCS regime corresponds to $\eta\gg 1$ while the Bose- Einstein condensate (BEC) regime corresponds to $\eta\ll-1$. The system is perturbative in the regimes $|\eta|\gg 1$, while the strongly correlated regime corresponds to $|\eta|\lesssim 1$. bloom In the weak-coupling regime [small interaction strengths $g_{0}$ in the Hamiltonian of Eq. (1) or large positive $\eta$ in the zero-range limit], we find that the one-body and the two-body self-energy $\Sigma$ and $\Pi$ converge absolutely as a function of the maximum diagram order. This is demonstrated in Fig. 2 for $\eta=1.5$, where the polaron energy $E^{N}_{p}$ converges exponentially as a function of the cutoff diagram order $N$. Similar convergence is also found for the molecule energy. Under conditions of convergence with diagram order, extrapolation to order infinity can be done in a trivial way. Similar convergence is also seen for $\eta=0.5$. In the strongly correlated regime the series starts oscillating with order when $\eta\lesssim 0$, and the oscillations get stronger the deeper we go into the BEC regime. The oscillations in the extracted polaron energy are illustrated in Fig. 2 for $\eta=-0.25$. To obtain meaningful results we rely on Abelian resummation techniques polaron ; vanhoucke12 . We evaluate the series $\sigma_{\epsilon}=\sum_{N}\sigma^{(N)}e^{-\epsilon\lambda_{N}}$, with $\sigma^{N}$ being the one-body self-energy for diagram order $N$ and $\lambda_{N}$ being a function that depends on the diagram order $N$. For each $\epsilon$ the polaron energy $E_{p}$ is calculated from $\sigma_{\epsilon}$ and an extrapolation is done by taking the limit $\epsilon\rightarrow 0$. The whole procedure is illustrated in Fig. 3. To estimate the systematic error of the extrapolation procedure, different resummation functions $\lambda_{N}$ are used. As becomes clear from Fig. 3 the whole resummation procedure is a stable one and induces uncertainties on the extracted energies of the order of a few percent. All the results of Fig. 4 are obtained with the Abelian resummation technique. The stronger the coupling constant is the larger the size of the error attributed to the resummation. An accurate extrapolation to infinite diagram order could be achieved for all values of $\eta$. Figure 3: (Color online) Abelian resummation of the bare series for the one- body self-energy diagrams at $\eta=-0.25$. We evaluate $\sigma_{\epsilon}=\sum_{N}\sigma^{(N)}e^{-\epsilon\lambda_{N}}$, with $\sigma^{N}$ being the one-body self-energy for diagram order $N$. We use the following functions $\lambda_{N}$ : (i) Gauss 1: $\lambda_{N}=(N-1)^{2}$ for $N>1$ and $\lambda_{N}=0$ for $N=1$, (ii) Lindelöf 1: $\lambda_{N}$ $=$ $(N-1)~{}{\log}(N-1)$ for $N>2$ and $\lambda_{N}=0$ for $N\leq 2$, and (iii) Gauss 2: $\lambda_{N}=(N-3)^{2}$ for $N>3$ and $\lambda_{N}=0$ for $N\leq 3$. The polaron energy $E_{p}/\epsilon_{F}$ is extracted in the limit $\epsilon$ $=$ $0^{+}$ for various choices of $\lambda_{N}$. Figure 4: (Color online) Polaron and molecule ground-state energies $E$ in units of the Fermi energy $\varepsilon_{F}$ as a function of $\eta$. The momentum of the impurity is equal to zero. Energies are shifted by the two-body binding energy $\varepsilon_{B}/\varepsilon_{F}=2e^{-2\eta}$ to magnify the details. The solid line is the DiagMC result for $N=1$. The symbols are the result of the full DiagMC calculations (including diagrams up to order 8). ## III Results and discussion In Fig. 4, polaron and molecule energies are displayed for a wide range of the parameter $\eta$. DiagMC results include all diagrams up to order 8 and extrapolation to the infinite diagram order. In the region $\eta\lesssim 0$ a small discrepancy (of the order of $0.1\%$ of the ground-state energy) is found with the variational results Levinsen13 of Parish and Levinsen based on the wave-function Ansatz up to 2p-h excitations. Clearly, a phase transition appears at the critical value $\eta_{c}=-0.95\pm 0.15$. A variational result which includes 2p-h excitations for the polaron and 1p-h excitations for the molecule, gives $\eta=-0.97$. Levinsen13 Both mentioned calculations are in agreement with the experimental result $\eta=-0.88(0.20)$ kos . The DiagMC method allows one to include a large number of particle-hole excitations that dress the impurity. Truncation of the Hilbert space to a maximum number of p-h pairs can nonetheless be achieved within the DiagMC approach. This allows one to arrive at the variational formulation. Previous variational studies using a wave function Ansatz up to 1p-h or 2p-h excitations showed that these truncations give remarkably accurate results Combescot . To understand why the truncation is possible within a Feynman diagrammatic approach for the self-energy, we first remark that a variational approach is easily established within a path-integral formalism. Path integrals with continuous imaginary time, for example, are based on an expansion of the evolution operator, $\displaystyle e^{-\beta\hat{K}}$ $\displaystyle=$ $\displaystyle e^{-\beta\hat{K}_{0}}\big{(}1-\int_{0}^{\beta}d\tau_{1}K_{1}(\tau_{1})$ (14) $\displaystyle+$ $\displaystyle\int_{0}^{\beta}d\tau_{1}\int_{0}^{\tau_{1}}d\tau_{2}~{}\hat{K}_{1}(\tau_{1})\hat{K}_{1}(\tau_{2})-\ldots\big{)}\;,$ where $\hat{K}=\hat{H}-\mu\hat{N}=\hat{K}_{0}+\hat{K}_{1}-\mu\hat{N}$, with $\left[\hat{K}_{0},\hat{K}_{1}\right]\neq 0$. The operator $\hat{K}_{1}(\tau)=e^{\hat{K}_{0}\tau}\hat{K}_{1}e^{-\hat{K}_{0}\tau}$, which defines the series expansion, is expressed in the interaction picture. Further, $\beta=1/k_{B}T$, with $k_{B}$ being Boltzmann’s constant and $T$ being temperature, $\hat{H}$ is the Hamiltonian, $\hat{N}$ the number operator, and $\mu$ is the chemical potential. The imaginary-time evolution operator in Eq. (14) can be used as a ground-state projection operator: for sufficiently long imaginary time $\beta$ the excited-state components of a trial state are exponentially suppressed. One typically evaluates all the terms in the expansion equation (14) in the eigenbasis of $\hat{K}_{0}$. This procedure forms the basis of path-integral Monte Carlo simulation of lattice models, where $\hat{K}_{1}$ is usually the kinetic energy term worm . A discretized time version is used in path-integral Monte Carlo methods in continuous space ceperley ; boninsegni . Either way, the contributions to the path integral have the direct physical interpretation of a time history of the many-particle system. At each instant of time, one can constrain the accessible states of the Hilbert space, in line with what is done in a variational approach. Within the standard Feynman diagrammatic formalism for Green’s functions, however, this truncation of the Hilbert space is not easy to accomplish for an arbitrary system, as one expands in powers of the two- body interaction term of the Hamiltonian. This will be explained in the next paragraph. It turns out to be formally easier to start from finite $T$ and to take the $\beta\to\infty$ limit in the end. For a many-fermion system, the finite- temperature Green’s function in position and imaginary-time representation $(\mathbf{x},\tau)$ is defined as $G_{\alpha\sigma}(\mathbf{x},\tau)=-\frac{{\rm Tr}[e^{-\beta\hat{K}}T_{\tau}\hat{\psi}^{\phantom{\dagger}}_{H\alpha}(\mathbf{x},\tau)\hat{\psi}^{\dagger}_{H\sigma}(\mathbf{x},0)]}{{\rm Tr}[e^{-\beta\hat{K}}]}\;,$ (15) with $\alpha$ and $\sigma$ denoting an appropriate set of quantum numbers (such as spin) and $T_{\tau}$ being the time-ordering operator. The field operator in the Heisenberg picture $\hat{\psi}^{\phantom{\dagger}}_{H\alpha}(\mathbf{x},\tau)=e^{\hat{K}\tau}\hat{\psi}^{\phantom{\dagger}}_{\alpha}(\mathbf{x})e^{-\hat{K}\tau}$ annihilates a fermion in state $\alpha$ at position $\mathbf{x}$ and time $\tau$. To arrive at the Feynman diagrammatic expansion, one makes a perturbative expansion for the evolution operator $e^{-\beta\hat{K}}$ in both the numerator _and_ the denominator of Eq. (15) (the finite $T$ ensures that both exist). The expansion of the partition function $Z$ in the denominator can be represented graphically by the series of all fully closed diagrams (connected and disconnected). When $\beta$ approaches $+\infty$, the denominator is proportional to $\langle\Psi_{0}|\Psi_{0}\rangle$ ($|\Psi_{0}\rangle$ is the ground state of the interacting many-body system), and the disconnected diagrams correspond to all possible vacuum fluctuations of the system at hand. The expansion in the numerator factorizes into an expansion of connected diagrams for $G_{\alpha\sigma}$ and disconnected diagrams for $Z$. So the sum of disconnected diagrams drops out, as expected for an intensive quantity like $G_{\alpha\sigma}(\mathbf{x},\tau)$. It is exactly this factorization that prevents one from truncating the Hilbert space at any instant of time in the evolution. In other words, variational calculations based on Feynman diagrams for the self-energy are generally not feasible. In the polaron problem vacuum fluctuations are absent since $|\Psi_{0}\rangle$ corresponds to the spin-down vacuum and a non-interacting spin-up Fermi sea. In other words, the vacuum cannot be polarized in the absence of an impurity. As a consequence, we face a situation similar to the path integral with a direct physical interpretation of the time history of the impurity. This peculiar feature allows one to restrict the Hilbert space at each given time. If we allow at most 1p-h excitations at each instant of time, only one diagram survives: the lowest-order self-energy diagram built from $\Gamma^{0}$ and the free spin-up single-particle propagator $G^{0}_{\uparrow}$. The equivalence between this diagram and the 1p-h variational approach had already been pointed out in Ref. oneD1 . An $n$p-h variational approach is achieved by allowing at most $n$ backward spin-up lines at each step in the imaginary-time evolution. For large $\eta$ it is obvious from Fig. 4 that the polaron energy from the full series expansion becomes equal to the 1p-h result. Even for stronger interactions (smaller $\eta$) the first-order results remain close to the full DiagMC one. Within the statistical accuracy of the numerical calculations, convergence for the one-body self-energy is already reached after inclusion of 2p-h excitations. Indeed, for all values of $\eta$, we find agreement between our 2p-h variational DiagMC approach and the full DiagMC approach within statistical error bars. For the molecular branch, we retrieve the result for the two-body self-energy from the full series expansion after including 1p-h excitations. For the 3D Fermi-polaron a similar conclusion was drawn. Also in 3D, the first-order result is a very good approximation polaron . Going up to 2p-h pairs gives a perfect agreement with full DiagMC results. From the above considerations it follows, however, that the diagrammatic truncations which provide good results for the polaron problem may not be appropriate for the more complex many-body problem with comparable densities for both components. The quasiparticle residue or $Z$ factor of the polaron gives the overlap of the noninteracting wave function and the fully interacting one. This overlap is very small for a molecular ground state of the fully interacting system polaron . The $Z$ factor as a function of $\eta$ is shown in Fig. 5. Note that the polaron $Z$ factor does not vanish in the region $\eta\lesssim-1$ where the ground state is a molecule. The $Z$ factor is, however, still meaningful since the polaron is a well-defined (metastable) excited state of the 2D system. Again, the first-order result gives a good approximation to the full result. The measured $Z$ factor for the 3D situation has been reported in Ref. pietro ; polaronMIT . The 2D experimental data are reported in Ref. kos , and the $\eta$ dependence of the quasiparticle weight $Z$ is presented in arbitrary units. We reproduce the observation that $Z$ strongly increases between $\eta_{c}\lesssim\eta\lesssim 1$ and saturates to a certain value for $\eta>1$. ## IV Conclusion Summarizing, we have developed a framework to study with the DiagMC method the ground-state properties of the 2D Fermi polaron for attractive interactions. We have shown that the framework allows one to select an arbitrary number of $n$p-h excitations of the FS, thereby making a connection with typical variational approaches which are confined to $n$=1 and $n$=2. We have studied the quasiparticle properties of the ground state for a wide range of interaction strengths. A phase transition between the polaron and molecule states is found at interaction strengths compatible with experimental values and with variational predictions. To a remarkable degree, it is observed that for all interaction strengths the full DiagMC results (which include all $n$p-h excitations) for the ground-state properties can be reasonably approximated by n=1 truncations. In a n=2 truncation scheme the full result is already reached within the error bars. This lends support for variational approaches to the low-dimensional polaron problem, for which one could have naively expected a large sensitivity to quantum fluctuations. Figure 5: (Color online) The quasiparticle residue $Z$ of the polaron as a function of $\eta$. The solid line represents the 1p-h result ($N=1$ diagram). ## Acknowledgments This work is supported by the Fund for Scientific research - Flanders. We would like to thank C. Lobo, N. Prokof’ev, B. Svistunov, and F. Werner for helpful discussions and suggestions, and we thank J. Levinsen and M. Parish for sending us their data. ## References * (1) C. Chin, R. Grimm, P. Julienne and E. Tiesinga, Rev. Mod. Phys. 82, 1225 (2010). * (2) I. Bloch, Nat. Phys. 1, 23 (2005). * (3) G.B. Partridge, W. Li, Y.A. Liao, R.G. Hulet, M. Haque and H.T.C. Stoof, Phys. Rev. Lett. 97, 190407 (2006). * (4) Y. Shin, C.H. Schunck, A. Schirotzek and W. Ketterle, Nature (London)451, 689 (2008). * (5) S. Nascimbène, N. Navon, K.J. Jiang, L. Tarruell, M. Teichmann, J. McKeever, F. Chevy and C. Salomon, Phys. Rev. Lett. 103, 170402 (2009). * (6) S. Pilati and S. Giorgini, Phys. Rev. Lett. 100, 030401 (2008). * (7) P. 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arxiv-papers
2014-02-17T14:34:08
2024-09-04T02:49:58.306408
{ "license": "Public Domain", "authors": "Jonas Vlietinck, Jan Ryckebusch, Kris Van Houcke", "submitter": "Jonas Vlietinck", "url": "https://arxiv.org/abs/1402.4015" }
1402.4020
# Fractal and multifractal properties of a family of fractal networks Bao-Gen Li1, Zu-Guo Yu1,2 and Yu Zhou1 1 Hunan Key Laboratory for Computation and Simulation in Science and Engineering and Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education, Xiangtan University, Xiangtan, Hunan 411105, China. 2School of Mathematical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane, Q4001, Australia. Corresponding author, email: [email protected] ###### Abstract In this work, we study the fractal and multifractal properties of a family of fractal networks introduced by Gallos et al. ( Proc. Natl. Acad. Sci. U.S.A., 2007, 104: 7746). In this fractal network model, there is a parameter $e$ which is between $0$ and $1$, and allows for tuning the level of fractality in the network. Here we examine the multifractal behavior of these networks, dependence relationship of fractal dimension and the multifractal parameters on the parameter $e$. First, we find that the empirical fractal dimensions of these networks obtained by our program coincide with the theoretical formula given by Song et al. ( Nat. Phys, 2006, 2: 275). Then from the shape of the $\tau(q)$ and $D(q)$ curves, we find the existence of multifractality in these networks. Last, we find that there exists a linear relationship between the average information dimension $<D(1)>$ and the parameter $e$. Key words: Complex network, scale-free, multifractality, box covering algorithm. PACS: 89.75.Hc, 05.45.Df, 47.53.+n ## 1 Introduction Complex networks have caused extensive attention due to their close connection with so many real-world systems, such as the world-wide web, the internet, energy landscapes, and biological and social systems [1]. The fractality and percolation transition [2], fractal transition [3] in complex networks, and properties of a scale-free Koch networks [6, 5, 4] have turned to be hot topics in recent years. Fractal analysis (using the fractal dimension) is a useful method to describe global properties of complex fractal sets [7, 8, 9]. Song et al. [1, 10] proposed an algorithm to calculate the fractal dimension of complex networks which can unfold their self-similar property. They mentioned that the box counting fractal analysis is an effective tool for the further study of complex networks. But the fractal analysis is not enough when the object studied can not be described by a single fractal dimension. It has been found that the multifractal analysis (MFA) is a powerful tool in both the theory and practice to describe the spatial heterogeneity of fractal object systematically [11, 12]. The MFA was originally raised to handle turbulence data, and now it has been successfully applied in many fields, such as financial modelling [13, 14], biological systems [15, 16, 17, 18, 19, 20, 21, 22, 23, 24] and geophysical systems [25, 26, 27, 28, 29, 30, 31]. Lee and Jung [32] found that MFA is the best tool to describe the probability distribution of the clustering coefficient of a complex network. Furuya and Yakubo [33] analytically and numerically demonstrated the possibility that the fractal property of a scale-free network cannot be characterized by a single fractal dimension when the network takes a multifractal structure. Almost at the same time, Wang et al. [34] proposed a modified fixed-size box-counting algorithm to study the multifractal property of complex networks. In this paper, we study the fractal and multifractal properties of a family of complex networks introduced by Gallos et al. [35]. In order to imitate the fractal property of many scale-free networks found in nature, Song et al. [36] developed a network model to describe the fractality of networks. The main characteristic of this model is the introduction of a parameter $e$ which could be used to control the original hubs whether continue to form connections between the nodes in the process of the growth of complex networks. The authors [36] pointed out that the parameter $e$ can be regarded as a level of fractality of the network. The network corresponds to a pure fractal network which is a pure fractal set (defined by Mandelbrot [7]) when $e=0$, and a pure small world network when $e=1$ [2]. Later on, Gallos et al. [35] proposed a generalized version of this network model. In Section 2, we introduce the generalized version of the network model in Ref. [35] and some of its topological properties. In Section 3, we examine the fractal dimension of these networks . A new fixed-size box-counting algorithm for MFA of networks modified from the one proposed in Ref. [34] is given in Section 4. The multifractal properties of the model networks and their results are also given in this Section. Some conclusions are presented in Section 5. ## 2 Network model A graph (or network) is a collection of nodes which denote the elements of a system, and links or edges which identify the relations or interactions among these elements. In this section, the algorithm of the generalized version of the network model in Ref. [35] is presented. The network could be obtained by a method described as follows. First we give a real number $0\leq e\leq 1$, and two positive integers $m$ and $x$ ($x\leq m$). In the generation $n=0$, we start with only two nodes and one edge between them. In order to get the network of the generation $n+1$, every endpoint of each edge $L$ in the network of the generation $n$ is attached to $m$ new nodes. Then we generate a random number $p$ which obeys the uniform distribution between 0 and 1. If $0\leq p<e$, each edge $L$ of the generation $n$ is kept and $x-1$ new edges are appended to connect pairs of the new nodes attached to the endpoints of $L$; otherwise, for each edge $L$ of the generation $n$, we add $x$ new edges matching new nodes at the ends of $L$ and remove $L$ (see Fig. 1). As shown in Fig. 2, if we take $e=0,m=2,x=2$, we add $m=2$ new nodes to the two endpoints of the sole edge in the generation $n=0$ to get the network of the generation $n=1$. Due to $e=0$, we take away the edge of $n=0$ and add $x=2$ edges between the new nodes. Notice that when $x=1$, we get tree structure without loop for any value of $e$. Figure 1: Construction of network. The link between hub remains with probability $e$, otherwise, it is replaced by another link between new nodes with probability $1-e$. Figure 2: Construction of a pure fractal network. Example of the network modelof generations $n=0,1,2$ with parameters $m=2,x=2,e=0$. According to above description, if we denote $M_{n}$ the number of edges in the network of the generation $n$, we can have $M_{n+1}=(2m+x)*M_{n}$ in the generation $n+1$. Hence ${{M_{n}}}={(2m+x)^{n}}$. Meanwhile in the growth of the network from the generation $n-1$ to the generation $n$, each edge in the network of the generation $n-1$ produces $2m$ new nodes. Hence we have $N_{n}=2mM_{n-1}+N_{n-1}$, where $N_{n}$ is the number of nodes in the network of the generation $n$. Therefore, ${N_{n}}=\frac{2m}{2m+x-1}(2m+x)^{n}+2-\frac{2m}{2m+x-1}$ (1) It was proved in Song et al. [36] that the degree distribution $P(k)$ of the network model satisfies a power law relationship $P(k)\approx{k^{-\gamma}}$ with $\gamma=1+\ln b/\ln s$, where $b$ is the scaling of the node number and $s$ is the scaling of the node degrees between two adjacent generations in the process of the growth of the network. From the algorithm described above, we know that if the degree of a node in the network of the generation $n$ is $K_{n}$, then it should be $mK_{n}+K_{n}$ with probability $e$, or $mK_{n}$ with probability $1-e$ in generation $n+1$, therefore $K_{n+1}=e(mK_{n}+K_{n})+(1-e)mK_{n}=(m+e)K_{n}$. It is easy to know that $b=2m+x$ from Eq. (1). So for the above model, we have $\gamma=1+\frac{{\ln(2m+x)}}{{\ln(m+e)}}$ (2) In addition, a simple analysis shows that the clustering coefficient of the network model is $0$ for any value of $e$. ## 3 The fractal dimension We find that if the distance between two nodes of the generation $n$ is $L_{n}$, then in the network of the generation $n+1$, the distance $L_{n+1}$ would be $L_{n}$ with probability $e$, or $3L_{n}$ with probability $1-e$. Hence $L_{n+1}=eL_{n}+3(1-e)L_{n}=(3-2e)L_{n}$. From Ref. [36], we know that the theoretical fractal dimension of the model networks is ${d_{f}^{T}}=\ln b/\ln a$, where $a=L_{n+1}/L_{n}$. Therefore, ${d_{f}^{T}}=\frac{{\ln(2m+x)}}{{\ln(3-2e)}}$ (3) If $x=2,m=2$, we have $d_{f}^{T}=\ln(6)/\ln(3-2e)$. We can also numerically calculate the fractal dimension of the model networks using some algorithms (e.g. [10, 37]). Here we adopt the random sequential box-counting algorithm proposed by Kim et al. [37] to estimate the fractal dimension of networks (two examples for estimating fractal dimension are shown in Fig. 3). We denote $d_{f}^{N}$ the fractal dimension of the network obtained numerically. First we want to check whether values of $d_{f}^{N}$ coincide with the theoretical values of fractal dimension $d_{f}^{T}$. If the numerical and theoretical fractal dimensions coincide with each other, we will have confidence on our process and program to estimate the multifractal curves $\tau(q)$ and $D(q)$ of these networks. Due to the limit of computational capacity of our computers, we only generate the networks up to the generation $n=5$. For each value of $e$, we generate 100 networks (100 realizations) and calculate the average value of $d_{f}^{N}$ over the 100 realizations. The $e$ vs $<d_{f}^{N}>$ plot is presented in Fig. 4. From Fig. 4, we can see that the numerical $<d_{f}^{N}>$ coincides with the theoretical $<d_{f}^{T}>$ perfectly. Figure 3: Two examples to estimate the fractal dimension of networks for $e=0.1$ and $0.5$, here parameters $n=5,m=2,x=2$. We can see the estimated fractal dimension is very close to the theoretical result 2.5850 (for $e=0.5$) and 1.7402 (for $e=0.1$) respectively. Figure 4: Numerical result of the relationship between the fractal dimension $<d_{f}^{N}>$ of the networks and $e$ with parameters $n=5,m=2,x=2$. Here $<\cdot>$ means the average over 100 realizations. ## 4 Multifractal analysis In this section, we first introduce a new algorithm for MFA of networks modified from the one proposed in Ref. [34] and then apply it to the model networks presented in Section 2. Two networks which have the same fractal dimension may look completely different. In addition, when the networks have rich scale and self-similar structures, they exhibit different dimensions in different scales. MFA is a powerful method to study the networks with such characteristics. At present, the fixed-size box-counting algorithm is the most common algorithm for MFA [12]. For a given probability measure $0\leq\mu\leq 1$ with support set $E$ in metric space, we consider the partition function ${Z_{r}}(q)=\sum\limits_{\mu(B)\neq 0}{{{[\mu(B)]}^{q}}}$ (4) where $q\in R$ , the result is the sum of all the different non-overlapping boxes $B$ with a given size $r$ in the covering of the support set $E$. It is easy to know that ${Z_{r}}(q)\geq 0$ and ${Z_{r}}(0)=1$. We define the mass exponent function $\tau(q)$ of the measure $\mu$ as $\tau(q)=\mathop{\lim}\limits_{r\to 0}\frac{{\ln{Z_{r}}(q)}}{{\ln r}}$ (5) Then we get the generalized fractal dimensions of the measure $\mu$ by ${D(q)}=\frac{{\tau(q)}}{{q-1}},q\neq 1$ (6) and ${D(1)}=\mathop{\lim}\limits_{r\to 0}\frac{{{Z_{(1,r)}}}}{{\ln r}},q=1$ (7) where${Z_{(1,r)}}=\sum\limits_{\mu(B)\neq 0}{\mu(B)\ln\mu(B)}$. In practice, the generalized fractal dimensions are usually obtained by linear regression. Specifically, $D(0)$ is the fractal dimension of the support set of the measure $\mu$, ${D(1)}$ and ${D(2)}$ are called the information dimension and the correlation dimension respectively. For a network, the measure $\mu$ of each box can be defined as the ratio of the number of nodes covered by the box to the total number of nodes in the network [34, 37]. We need to complete the following two steps before we proceed MFA. i) Map a network to an adjacent matrix ${A_{N\times N}}$, where $N$ is the total number of nodes in the network. It is easy to know that ${A_{N\times N}}$ is a symmetric matrix where the elements ${a_{ij}}=1$ when there is an edge between the nodes $i$ and $j$, otherwise ${a_{ij}}=0$. Here, the edge from node $i$ to node $i$ is not considered, so ${a_{ii}}=0$. ii) Use ${A_{N\times N}}$ to calculate the shortest distance between any two nodes in the network and store them into another matrix ${B_{N\times N}}$. Here, in our study, we use Dijkstra s algorithm of MatLab toolbox to calculate the shortest distance between two nodes in the network. After finishing the two steps presented above, we can use matrix ${B_{N\times N}}$ as the input of MFA of the network model described in Section 2 based on a new algorithm for MFA of networks modified from the one proposed in Ref. [34] as follows. (I) Ensure that all nodes in the network are not covered, and no node has been selected as the center of a box. (II) According to the size of our networks $N=6222$ (with the parameters $n=5;m=2,x=2$), we set $t=1,2,\ldots,T$. Here we take $T=1000$, then we rearrange the nodes number into $T=1000$ different random orders. That is to ensure that the nodes of a network are randomly chosen as center nodes. (III) Set the radius $r$ of boxes which will be used to cover the nodes in the range $[1,d]$, where $d$ is the diameter of the network (i.e. the longest distance between nodes in the network). (IV) Treat the nodes of the $t$th kind of random orders that we have got in (II) as the center of a box successively, then search all the other nodes. If a node has a distance to the center node within $r$ and has not been covered yet, then cover it. (V) If no more new nodes can be covered by this box, then we abandon this box. (VI) Repeat (IV) - (VI) until all the nodes are covered by the corresponding boxes. We denote the number of boxes in this box covering as $N(t,r)$. (VII) Repeat steps (III) and (VI) for all the random orders to find a box covering with minimal number of boxes $N(t,r)$. (VIII) For each nonempty box $B$ in the first box covering with minimal number of boxes, we define its measure as ${\mu(B)={N_{B}}/6222}$, where ${N_{B}}$ is the number of nodes covered by the box $B$. For each $r$, we calculate the partition sum $Z_{r}(q)=\sum\limits_{\mu(B)\neq 0}{{{[\mu(B)]}^{q}}}$. (IX) For different $r$, we repeat (III)-(VIII). Then we use $Z_{r}(q)$ for linear regression. Remark 1: In the algorithm of MFA of networks proposed in Ref. [34], we use $\overline{Z}_{r}(q)$ (the average of $Z_{r}(q)$ for all $T=1000$ different random orders of the nodes) for linear regression to get $\tau(q)$ (hence $D(q)$). But when $q=0$, $D(0)$ got in this way is not the box-counting dimension of the network because there requires minimum number of boxes which cover the fractal set (network here) [9]. Here we modify to use $Z_{r}(q)$ of a covering with minimum number of boxes for linear regression to get $\tau(q)$ (hence $D(q)$). So when $q=0$, $D(0)$ is exact the box-count dimension of the network. It is a more reasonable extension from the traditional MFA. In order to get the range $r\in[{r_{\min,}}{r_{\max}}]$ in which the networks obey the power law and then to get the mass exponents $\tau(q)$ and the generalized fractal dimensions $D_{q}$, linear regression is an important step. In our calculation, we run the linear regression of $\ln{Z_{r}}(q)$ against $\ln r$ to get $\tau(q)$, and then get $D(q)$ through formula $D(q)=\tau(q)/(q-1)$ for $q\neq 1$ and $D(1)$ through the linear regression of $Z_{(1,r)}=\sum\limits_{\mu(B)\neq 0}{\mu(B)\ln\mu(B)}$ against $\ln r$ for $q=1$. By applying the new fixed-size box-counting algorithm described above on the model networks, we get the following results: First, for each value of $e$ (here we take $e=0.1,0.2,...,0.8$), we generate 100 networks (we take 100 realizations because the MFA for networks is very time consuming when the network is large), and calculate the $\tau(q)$ and $D(q)$ curves for each network using the new fixed-size box-counting algorithm. Then we take average for these $\tau(q)$ and $D(q)$ curves over the 100 realizations. The shape of the $<\tau(q)>$ curves shown in Fig. 5 and the $<D_{q}>$ curves shown in Fig. 6 are all nonlinear, which indicate that all the networks we studied have multifractal property. We also find that the value of $\Delta(<D(q)>)$ defined by $\max(<D(q)>)-\min(<D(q)>)$ increases with the increase of the parameter $e$, which indicates that the multifractal property of the model networks becomes more obvious when the value of the parameter $e$ becomes larger. The multifractal property of the model networks revealed by our work indicates that the model networks are very complicated which cannot be characterized by a single fractal dimension. The MFA algorithm proposed here can be used to provide a more accurate characterization for the model networks, even for some other complicated networks. Second, we find that the average information dimension $<D(1)>$ has a linear relation with the parameter $e$, i.e. $<D(1)>=1.5053*e+1.4735$ as shown in Fig. 7, which is different from that of $D(0)$ shown in Eq. (3). Figure 5: The $\tau(q)$ curves of the network model, here $<\cdot>$ means the average over 100 realizations. Figure 6: The $D(q)$ curves of the network model, here $<\cdot>$ means the average over 100 realizations. Figure 7: The relationship of $<D(1)>$ against parameter $e$ respectively, here $<\cdot>$ means the average over 100 realizations. Remark 2: Furuya and Yakubo [33] also proposed an algorithm for MFA of complex networks. The difference between the algorithm in Ref. [33] and our algorithm is the definition of the measure $\mu$. In the algorithm in Ref. [33], it allows that any two boxes in the box covering have overlap and defines the measure $\mu_{i}$ by counting the times of overlaps of each node, hence it is not a natural extension of the traditional MFA (see Eq. (4)). In our algorithm, overlap of any two boxes in the box covering is not allowed, so it is a natural extension of the traditional MFA. Our network model with $e>0$ is different from the ($u,v$)-flower network model. Only the network model with $e=0$ corresponds to the deterministic ($u,v$)-flower network model with $u=v=3$. Furuya and Yakubo [33] also gave a theoretical formula for the $\tau(q)$ function of ($u,v$)-flower network model (Eq. (11) of Ref. [33]). When $u=v=3$, $\tau(q)$ has the formula [33]: $\tau(q)=q$ if $q\geq\ln(6)/\ln(2)=2.5850$, and $\tau(q)=(q-1)\frac{\ln(6)}{\ln(3)}$ if $q<\ln(6)/\ln(2)=2.5850$. We compared this formula with our numerical result for $e=0$ in Fig.5, and found that we also have $\tau(q)\simeq q$ if $q\geq 2.5850$, but the $\tau(q)$ values are different from $(q-1)\frac{\ln(6)}{\ln(3)}$ if $q<2.5850$. ## 5 Conclusion We have studied the fractal and multifractal properties of a family of model networks that were originally proposed to explain the origin of fractality in complex networks. This model introduces a parameter $e$, which can be used to tune the fractality level of the network. One can get a pure fractal network when $e=0$ and obtain a small-world network when $e=1$. We investigated the fractal and multifractal properties through numerical calculation. To make the calculation feasible and accurate, we calculated the model with parameters ${n=5;m=2,x=2}$; ${e=0}$, ${0.1,0.2,\ldots,0.8}$; ${q=-10,\ldots,10}$. The result of the $\tau(q),D(q)$ (including $D(0)$ and $D(1)$) are averaged over $100$ realizations (networks). The shape of $\tau(q)$ and $D(q)$ curves are all nonlinear, which indicates that all the networks we studied have multifractal property. We also found that the value of $\Delta(<D(q)>)=\max(<D(q)>)-\min(<D(q)>)$ increases with the increase of the parameter $e$, which indicates that the multifractal property of the model becomes more obvious when the value of the parameter $e$ becomes larger. We also found that the average information dimension $<D(1)>$ has a linear relation with the parameter $e$, i.e. $<D(1)>=1.5053*e+1.4735$. The MFA algorithm proposed here can be used to provide a more accurate characterization for the model networks, even for some other complicated networks. ## Acknowledgments This project was supported by the Natural Science Foundation of China (Grant Nos. 11071282 and 11371016), the Chinese Program for Changjiang Scholars and Innovative Research Team in University (PCSIRT) (Grant No. IRT1179); the Research Foundation of Education Commission of Hunan Province of China (Grant No. 11A122); the Lotus Scholars Program of Hunan province of China. The authors would like to thank the editor and the reviewers for their insights, comments and suggestions to improve this paper. ## References * [1] * [1] Song C, Havlin S and Makse H A, Self-similarity of complex networks, Nature 433 (2005) 392-395. * [2] Rozenfeld H D and Makse H A, Fractality and the percolation transition in complex networks, Chem. Eng. 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arxiv-papers
2014-02-17T14:47:37
2024-09-04T02:49:58.314580
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Bao-Gen Li, Zu-Guo Yu and Yu Zhou", "submitter": "Zu-Guo Yu", "url": "https://arxiv.org/abs/1402.4020" }
1402.4030
# Multifractal analyses of daily rainfall time series in Pearl River basin of China Zu-Guo Yu1,2, Yee Leung3, Yongqin David Chen3, Qiang Zhang4, Vo Anh2 and Yu Zhou1 1 Hunan Key Laboratory for Computation and Simulation in Science and Engineering and Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education, Xiangtan University, Xiangtan, Hunan 411105, China. 2School of Mathematical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane, Q4001, Australia. 3Department of Geography and Resource Management, and Institute of Environment, Energy and Sustainability, The Chinese University of Hong Kong, Hong Kong, China. 4Department of Water Resources and Environment, and Key Laboratory of Water Cycle and Water Security in Southern China of Guangdong High Education Institute, Sun Yat-sen University, Guangzhou 510275, China. Corresponding author, email: [email protected] ###### Abstract The multifractal properties of daily rainfall time series at the stations in Pearl River basin of China over periods of up to 45 years are examined using the universal multifractal approach based on the multiplicative cascade model and the multifractal detrended fluctuation analysis (MF-DFA). The results from these two kinds of multifractal analyses show that the daily rainfall time series in this basin have multifractal behavior in two different time scale ranges. It is found that the empirical multifractal moment function $K(q)$ of the daily rainfall time series can be fitted very well by the universal mulitifractal model (UMM). The estimated values of the conservation parameter $H$ from UMM for these daily rainfall data are close to zero indicating that they correspond to conserved fields. After removing the seasonal trend in the rainfall data, the estimated values of the exponent $h(2)$ from MF-DFA indicate that the daily rainfall time series in Pearl River basin exhibit no long-term correlations. It is also found that $K(2)$ and elevation series are negatively correlated. It shows a relationship between topography and rainfall variability. Key words: Daily rainfall time series; multifractal property; universal multifractal model; multifractal detrended fluctuation analysis. ## 1 Introduction Rainfall is one of the most important variables studied because its non- homogenous behavior in event and intensity, leading to drought, water runoff and soil erosion with negative environmental and social consequences [1, 2]. Analysis and modelling of rainfall are significant research problems in applied hydro-meteorology [3]. Rainfall time series often exhibit strong variability in time and space. Rainfall also exhibits scaling behavior in time and space (e.g. [3-7]). There is thus a need to characterize and model rainfall variability at a range of scales which goes beyond the scales that can be directly resolved from observations [8]. Investigation of the existence of fractal behavior in rainfall processes has been an active area of research for many years [9]. Some recent experiments have shown that scale invariance, in time and space, does exist in rainfall fields [10]. Olsson et al. [11] investigated the rainfall time series by calculating the box and correlation dimensions via a monodimensional fractal approach (simple scaling). Their results indicate scaling but with different dimensions for different time aggregation periods. Hence the investigated rainfall time series display a multidimensional fractal behavior. Venugopal et al. [12] employed the wavelet-based multifractal analysis to reexamine the scaling structure of rainfall over time. Molnar and Burlando [13] used the exponent of correlation function, a multifractal parameter, to study the seasonal and spatial variabilities. Using 2-dimensional Fourier series analysis and spectral analysis, Boni et al. [14] proposed a methodology to study the estimated index factor for rainfall in mountainous regions. During the past two decades, stochastic models of rainfall have increasingly exploited the property of multifractal scale invariance, resulting in multifractal models that are more advantageous over conventional models in rainfall representations [15-17]. The multiplicative cascade model has been widely used to study the multifractal properties of the rainfall data (e.g. [2, 4-8, 17-29]). Schertzer and Lovejoy [4] showed that statistically scaled invariant processes are stable and converge to some universal attractor, and thus can be defined by a small number of relevant parameters, specifically three with the universal multifractal framework. The simple multifractal analysis (MFA) is based upon the standard partition function multifractal formalism [30], developed for the multifractal characterization of normalized, stationary measurements. Unfortunately, this standard formalism does not give correct results for non-stationary time series that are affected by trends or that cannot be normalized [31]. Thus, two generalizations of simple MFA were developed. One is the wavelet-based MFA which has been used to study rainfall data (e.g. [12]). Another generalization is the multifractal detrended fluctuation analysis (MF-DFA) [31] which is an extension of the standard detrended fluctuation analysis (DFA) introduced by Peng et al. [32, 33]. DFA can be employed to detect long-range correlations in stationary and noisy nonstationary time series. It intends to avoid the unravelling of spurious correlations in time series. The DFA method has been successfully applied to problems in fields such as DNA and protein sequences (e.g. [32, 34, 35]) and hydrology (e.g. [36-40]). The MF-DFA is a modified version of DFA for the detection of multifractal properties of time series. It renders a reliable multifractal characterization of nonstationary time series encountered in phenomena such as those in geophysics [31, 37, 38, 41-46]. The MF-DFA has also been successfully applied to problems in hydrology (e.g. [37-39]). The relationship between topography and rainfall variability is a very important issue in the study of rainfall. Our work in this paper focuses on the multifractal properties of daily rainfall time series and possible relationships between the multifractal exponents and landscape properties. We use the universal multifractal model (UMM) proposed by Schertzer and Lovejoy [4] to fit the multifractal moment function $K(q)$ of the rainfall data and propose a method to estimate the parameters. We also adopt the MF-DFA approach to detect the correlation and multifractal properties of daily rainfall data in this paper. As the largest watershed in South China, the Pearl River (Zhujiang in Chinese) delta is a composite drainage basin with a total area of 45.4$\times 10^{4}$ km2, consisting of three major rivers (i.e., West River, North River, and East River) and several independent rivers in the downstream and delta regions (see Figure 1). The Asian monsoon and moisture transport are the important influencing factors on precipitation patterns in this region. Given its large size and dominance of a sub-tropical humid monsoon climate, the Pearl River basin is under the influence of rainfall variability which is a highly complicated process in space and time. Zhang et al. [47] reported an increased high-intensity rainfall over the basin in conjunction with the decreased rainy days and low-intensity rainfall. It was also found that the abrupt changes of the precipitation totals (for annual, winter, and summer precipitation) occurred in the late 1970s, 1980s, and early 1990s, and the precipitation intensity basically increased after the change points [47, 48]. In this paper, we study the daily rainfall data over the period from 1 January 1960 to 31 December 2005 at 41 locations in Pearl River basin using the UMM and MF-DFA methods. Parameters from the above MFAs are used to infer the spatial relationship of rainfall in Pearl River basin of China. ## 2 Multifractal analyses ### 2.1 Universal multifractal approach based on the multiplicative cascade model Let $T(t)$ be a positive stationary stochastic process at a bounded interval of ${\bf R}$, assumed to be the unit interval (0, 1) for simplicity, with $E(T(t))=1$ (For a time series $x_{i}$, $i=1,\cdots,L$, we can define $t_{i}=i/L$, and $T(t_{i})=x_{i}/(\sum_{k=1}^{L}x_{k})$ ). The smoothing of $T(t)$ at scale $r>0$ is defined as $T_{r}(t)=\frac{1}{r}\int_{t-r/2}^{t+r/2}T(s)ds$. We consider the processes $X_{r}(t)=\frac{T_{r}(t)}{T_{1}(t)}$, $t\in[0,1]$. The empirical multifractal function $K(q)$ can be defined as the power exponents if the following expectation behaves like [49] $E(X_{r}^{q}(t))\ \propto\ r^{K(q)}.$ (1) If we consider smoothing at discrete scales $r_{j}$, $j=1,2,\cdots$, then from Eq. (1), the empirical $K(q)$ function (denoted as $K_{d}(q)$) for the data can be obtained by $K_{d}(q)=\lim_{j\rightarrow\infty}\frac{\ln E(X_{r_{j}}^{q})}{-\ln r_{j}}.$ (2) Hence the empirical $K(q)$ function $K_{d}(q)$ can be estimated from the slopes of $E(X_{r}^{q})$ against the scale ratio 1/r in a log-log plane. In this paper, we adopt Eq. (2) to obtain $K_{d}(q)$ of our rainfall data. If the curve $K_{d}(q)$ versus $q$ is a straight line, the data set is monofractal. However, if this curve is convex, the data set is multifractal [30]. The universal multifractal model (UMM) proposed by Schertzer and Lovejoy [4] assumes that the generator of multifractals was a random variable with an exponentiated extremal Lévy distribution. Thus, the theoretical scaling exponent function $K(q)$ for the moments $q\geq 0$ of a cascade process is obtained according to [4, 18, 28, 29]: $K(q)=qH+\left\\{\begin{array}[]{ll}C_{1}(q^{\alpha}-q)/(\alpha-1),&\alpha\neq 1,\\\ C_{1}q\log(q),&\alpha=1,\end{array}\right.$ (3) in which the most significant parameter $\alpha\in[0,2]$ is the Lévy index, which indicates the degree of multifractality (i.e. the deviation from monofractality). $C_{1}\in[0,d]$, with $d$ being the dimension of the support ($d=1$ in our case), describes the sparseness or inhomogeneity of the mean of the process [28]. The parameter $H$ is called the non-conservation parameter since $H\neq 0$ implies that the ensemble average statistics depend on the scale, while $H=0$ is a quantitative statement of ensemble average conservation across the scales (e.g., [29]). Although the double trace moment (DTM) technique [50, 51] has been widely used to estimate the parameters $H$, $C_{1}$ and $\alpha$ in geophysical research, it is complicated and the goodness of fit of the empirical $K(q)$ functions depends on that of exponent $\beta$ of the power spectrum, and sometimes the fitting of $K(q)$ is not satisfactory (e.g., [19, 28, 29]). In this paper, we adopt a method in [52] and is similar to that proposed in [49]. If we denote $K_{T}(q)$ the $K(q)$ function defined by Eq. (3), we estimate the parameters by solving the least-squares optimization problem [52] $\min_{H,C_{1},\alpha}\sum_{j=1}^{J}[K_{T}(q_{j})-K_{d}(q_{j})]^{2}.$ (4) In our analysis, we take $q_{j}=j/3$ for $j=1,2,...,30$. ### 2.2 Multifractal detrended fluctuation analysis We outline the MF-DFA procedure used here according to the procedure described in [31]. Suppose that $x_{k}$ is a series of length $N$. First we determine the ’profile’ $Y(i)=\sum_{k=1}^{i}[x_{k}-\langle x\rangle],\ i=1,\cdots,N$, where $\langle x\rangle$ is the mean of $\\{x_{k}\\}$. For an integer $s>0$, we divide the profile $Y(i)$ into $N_{s}=int(N/s)$ non-overlapping segments of equal lengths $s$, where $int(N/s)$ is the integer part of $N/s$. Since the length $N$ of the series is often not a multiple of the timescale $s$ under consideration, there may remain a slack at the end of the profile. In order not to disregard this short part of the series, the same procedure is repeated starting from the opposite end. Thus, $2N_{s}$ segments are obtained altogether. Now we can calculate the local trend for each of the $2N_{s}$ segments by a least squares linear fit of the series, then determine the variance $F^{2}(s,\nu)$ for $\nu=1,\cdots,2N_{s}$ [31]. Then the $q$th-order fluctuation function is defined as $F_{q}(s)=\left[\frac{1}{2N_{s}}\sum_{\nu=1}^{2N_{s}}(F^{2}(s,\nu))^{q/2}\right]^{1/q}$, where $q\neq 0$. Finally we determine the scaling behavior $F_{q}(s)\ \propto\ s^{h\left(q\right)}.$ (5) of the fluctuation functions by analyzing the log-log plot of $F_{q}(s)$ versus $s$ for each value of $q$. The exponent $h(q)$ is commonly referred to as the generalized Hurst exponent. The MF-DFA is suitable for both stationary and nonstationary time series [31]. We denote $\tilde{H}$ the Hurst exponent of time series. The range $0.5<\overline{H}<1$ indicates long memory or persistence; and the range $0<\overline{H}<0.5$ indicates short memory or anti-persistence. For uncorrelated series, the scaling exponent $\overline{H}$ is equal to 0.5. Assuming the setting of fractional Brownian motion, Movahed et al. [53] proved the relation $\overline{H}=h(2)-1$ between $\overline{H}$ and the exponent $h(2)$ for small scales. In the case of fractional Gaussian noise, it was shown that $h(2)=\overline{H}$ [53]. Hence we can use the value of $\overline{H}$ calculated from $h(2)$ to detect the nature of memory in time series under the assumption of fractional Gaussian noise or fractional Brownian motion. In the case of a power law, the power spectrum $S(f)$ is related to the frequency $f$ by $S(f)\propto(1/f)^{\beta}$. The exponents $h(2)$ and $\beta$ are related to each other by the equation $h(2)=(1+\beta)/2$ [36, 54]. As pointed out by Lovejoy et al. [26], the relationship between mass exponent $\tau(q)$, which is based upon the standard partition function multifractal formalism [30], and $K(q)$ is $\tau(q)=(q-1)-K(q),$ (6) for 1-dimensional data. For a conservative process, Koscielny-Bunde et al. [39] pointed out the relationship between $h(q)$ and $K(q)$ as $qh(q)=qh(1)-K(q).$ (7) By combining Eqs. (6) and (7), we get [55] $\tau(q)=q(h(q)-h(1))+q-1.$ (8) ## 3 Results and discussion In this study, we apply the above methods to examine the multifractal properties of daily rainfall data in Pearl River basin over time as a regional case study. At each of the 41 stations in Pearl River basin, daily rainfall data over the period from 1 January 1960 to 31 December 2005 consist of 16,802 observations. The information on location and elevation of the 41 stations in Pearl River basin is given in Table 1 (we list the stations according to the deceasing order of their elevations). According to the elevation, we can divide the stations into three groups (Group 1 with elevation higher than 1000m, Group 2 with elevation between 200m to 1000m, Group 3 with elevation lower than 200m). The daily rainfall data of Station 56691 and Station 57922 (in the Pearl River basin) over the entire study period are shown in Figure 2 as examples. First, we computed the empirical $K(q)$ curves of all daily rainfall data via Eq.(2) by taking values for $r_{j}$ from 0.0010 to 0.056 (corresponding to time scale from 180-960 days) for data in Pearl River basin because the power- law relation in Eq.(2) in these time scale ranges becomes linear. An example for obtaining the empirical $K(q)$ curves is given in Figure 3. The empirical $K(q)$ curves of the rainfall data in two stations are shown in Figure 4 (the dotted lines) as examples. We observed that all the empirical $K(q)$ curves of the rainfall data in all stations are not straight lines (i.e. are convex lines) like those in Figure 4. This suggests that all daily rainfall time series have multifractal behavior in the time scale range from 180 to 960 days. In order to use the UMM (i.e. Eq. (3)) to fit the empirical $K(q)$ curves, we use the function fminsearch in MATLAB to solve the optimization problem (Eq.(4)) and obtain the estimates of parameters $H$, $\alpha$ and $C1$ (we set 0.5, 0.5, 0.5 as the initial values of these three parameters, respectively). The estimated values of parameter $\alpha$ for stations in the Pearl River basin are given in Table 1. We found that the theoretical $K(q)$ curves based on the UMM fit exceedingly well the empirical $K(q)$ curves of the rainfall data in all stations. We plot two fitted theoretical $K(q)$ curves in Figure 4 (the continuous lines) as illustrations. From the estimated values of $H$, $C_{1}$ and $\alpha$, we find that $H\in[-0.0459,0.0196]$ with mean value $-0.0085\pm 0.0126$, $C_{1}\in[0.0867,0.2665]$ with mean value $0.1631\pm 0.0385$, and $\alpha\in[0.6213,1.6072]$ with mean value $1.0236\pm 0.2141$ for stations in Pearl River basin. The values of $H$ with mean value $-0.0085\pm 0.0126$ for these daily rainfall data are close to zero, indicating that they correspond to conserved fields which is consistent with previously published results (e.g., [26-29]). Since the values of $\alpha$ are fairly large (far from the monofractal value of zero), it again confirms that all daily rainfall time series in Pearl River basin have multifractal behavior in the time scale range from 180 to 960 days. The values of $C_{1}$ with mean value $0.1631\pm 0.0385$ indicate that the conserved multifractal daily rainfall is not too sparse [18], which can be compared with previously published results [19, 23]. Second, we employed the MF-DFA to analyze the rainfall data. There are usually seasonal variations in rainfall data. In order to get the long term correlations correctly, the data need to be deseasonalized before we can perform the MF-DFA [39, 40, 56-58]. In this paper, the deseasonalized rainfall $z_{i}$ ($i=1,2,\cdots,N$, $N$ is the total number of data points) are obtained by subtracting the mean daily rainfall $\overline{x_{i}}$ from the original rainfall $x_{i}$ and normalized by variance at each calendar date [40, 56-58], i.e., $z_{i}=(x_{i}-\overline{x_{i}})/(\overline{x_{i}^{2}}-\overline{x_{i}}^{2}).$ (9) The deseasonalized rainfall was analyzed with MF-DFA. Here we calculated $h(q)$ over the scale range of 10 to 87 days for all values of $q$ because the log-log plot of $F_{q}(s)$ versus $s$ for each value of $q$ in this time scale range becomes linear. An example for obtaining the empirical $h(q)$ curve is given in Figure 5. The empirical $h(q)$ curves of the rainfall data in two stations are shown in Figure 6 as examples. We observed that all the empirical $h(q)$ curves of the rainfall data in all stations we considered are not straight lines (i.e. are convex lines) like those in Figure 6. This suggests that all daily rainfall time series have multifractal behavior in the time scale range from 10 to 87 days. Usually the value of $\Delta h(q)$ (defined as $\max\\{h(q)\\}-\max\\{h(q)\\}$) is used to characterize the multifractality of time series. The estimated values of $h(1)$, $h(2)$ and $\Delta h(q)$ for stations in Pearl River basin are given in Table 1. From Table 1, we find that $h(2)\in[0.5248,0.6436]$ with mean value $0.5891\pm 0.0275$, $\Delta h(q)\in[0.3724,0.8851]$ with mean value $0.5681\pm 0.1210$ for stations in Pearl River basin. The values of $\Delta h(q)\in[0.3724,0.8851]$ obtained by us with mean value $0.5681\pm 0.1210$ (far from the monofractal value of zero) for stations in Pearl River basin again confirms that all daily rainfall time series in Pearl River basin have multifractal behavior in the time scale range from 10 to 87 days. It was reported that the scaling exponents of rainfall obtained by DFA for the intermediate time scales (10.0 to 100.0-300.0 days) range in values from 0.62 to 0.89 [36] without removing the seasonal trend in the data. Later on, after removing the seasonal trend in the rainfall data, Kantelhardt et al. [38] found that most precipitation records exhibit no long- term correlations ($h(2)\approx 0.55$), the mean value is $h(2)=0.53\pm 0.04$. The values of $h(2)\in[0.5248,0.6436]$ obtained by us with mean value $0.5891\pm 0.0275$ for stations in Pearl River basin consists with the result that precipitations are mainly uncorrelated reported in [38]. It is also interesting to test the relationship between $K(2)$ and $h(2)$ given by Eq. (7), i.e. whether $K(2)=2[h(1)-h(2)]$ holds. We denote $K^{\prime}(2)$ to be $2[h(1)-h(2)]$. The estimated values of $K^{\prime}(2)$ for stations in Pearl River basin are given in Table 1. From Table 1, we find that $K^{\prime}(2)\in[0.1960,0.5300]$ with mean value $0.2980\pm 0.0728$ for stations in Pearl River basin. We find from Table 1 that the values of $K^{\prime}(2)$ are quite different from those of $K(2)$, this because that they are estimated for different time scale ranges. Last, we want to see whether the parameters from these MFAs of daily rainfall can reflect some spatial or geographical characteristics of the stations in Pearl River basin. In other words, we would like to explore the spatial dimension of rainfall variability in the basin. In particular, we are interested in finding out whether rainfall variations over time are related to, for example, the topography of the basin. A scrutiny of the parameters $H$, $\alpha$ and $C_{1}$ in UMM, $K(2)$ in the $K(q)$ curves, and $h(2)$ from MF-DFA show that there exhibit some correlations between rainfall regime and basin characteristics such as topography. In fact, we found that the parameter $K(2)$, which is related to the correlation dimension $D(2)$ via $D(2)=1-K(2)$, of the daily rainfall data reflects some spatial and geographical features of the stations in the basin. First, K(2) and elevation series are negatively correlated. The value of the correlation coefficient between $K(2)$ and elevation is up to -0.4995 in the Pearl River basin as shown in Figure 7. The possible trend is that the higher the elevation at which a station is located, the smaller the value of $K(2)$ becomes and the closer it is to 0.0 (so also the larger the value of $D(2)$ becomes and the closer it is to 1.0). According to the elevation, we can divide the stations into three groups (Group 1 with elevation higher than 1000m, Group 2 with elevation between 200m to 1000m, Group 3 with elevation lower than 200m). We found that $K(2)$ of Group 1 have mean value $0.1927\pm 0.0110$, that of Group 2 have mean value $0.2000\pm 0.0181$ and that of Group 3 have mean value $0.2155\pm 0.0202$. One can see that the mean value of $K(2)$ of these three groups become larger with decreasing of elevation. We also notice that rainfall stations at higher elevations in the northwestern side of the basin similarly tend to have smaller $K(2)$ values in comparison with stations at lower elevations in the southeastern side. Using the wavelet analysis on the monthly precipitation data in Pearl River basin, Niu [59] recently found that, apart from the high variability for the less than 1-year period, the high wavelet power in the dominant band (0.84-4.8 years) for the first and second modes (especially for northwest part and east part of Pearl River basin) reflects long-term precipitation variability. Niu [59] explained that the northwest region has the highest altitudes, and therefore it is influenced by the topographic rain shadow with respect to the prevailing storm tracks; while the east region is close to the South China Sea which is subjected to convective movement of water by semitropical hurricanes and typhoons. ## 4 Conclusion Multifractal analysis is a useful method to characterize the heterogeneity of both theoretical and experimental fractal patterns. As a regional case study, numerical results obtained from the universal multifractal approach and MF-DFA on the daily rainfall data in Pearl River basin show that these time series have multifractal behavior in two different time scale ranges. It is found that the empirical $K(q)$ curves of the daily rainfall time series can be fitted very well by the UMM. The estimated values of $H$ for these daily rainfall data are close to zero, indicating a correspondence to the conserved fields. After removing the seasonal trend in the rainfall data, the estimated values of $h(2)$ indicate that the daily rainfall time series in Pearl River basin exhibit no long-term correlations. It is found that $K(2)$ and elevation series are negatively correlated. It shows a relationship between topography and rainfall variability. ## Acknowledgements This project was supported by Geographical Modelling and Geocomputation Program under the Focused Investment Scheme of The Chinese University of Hong Kong, and the Earmarked grant CUHK405308 of the Research Grants Council of the Hong Kong Special Administrative Region; the Natural Science Foundation of China (Grant no. 11071282 and 11371016), the Chinese Program for Changjiang Scholars and Innovative Research Team in University (PCSIRT) (Grant No. IRT1179), the Research Foundation of Education Commission of Hunan Province of China (grant no. 11A122), the Lotus Scholars Program of Hunan province of China. ## References * [1] * [1] G.R. 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Schertzer and S. Lovejoy, Empirical determination of universal multifractal exponents in turbulent velocity fields. Phys. Rev. Lett., 68 (1992) 305-308. * [51] D. Lavallee, S. Lovejoy, D. Schertzer and P. Ladoy, Nonlinear variability and landscape topography: analysis and simulation. In: Fractals in Geography (N. Lam and L. De Cola, Eds.) Prentice Hall, Englewood Cliffs, p158-192, 1993. * [52] Z.G. Yu, V. Anh, R. Eastes and D.L. Wang, Multifractal analysis of solar flare indices and their horizontal visibility graphs. Nonlin. Processes Geophys. 19 (2012) 657-669. * [53] M.S. Movahed, G.R. Jafari, F. Ghasemi, S. Rahvar and M.R.R. Tabar, Multifractal detrended fluctuation analysis of sunspot time series. J. Stat. Mech.: Theory Exper. 2 (2006) P02003. * [54] S. Havlin, R. Selinger, M. Schwartz, H.E. Stanley, and A. Bunde, Random multiplicative processes and transport in structures with correlated spatial disorder. Phys. Rev. Lett. 61(13) (1988) 1438-1441. * [55] Y. Zhou, Y. Leung and Z.G. Yu, Relationships of exponents in multifractal detrended fluctuation analysis and conventional multifractal analysis. Chin. Phys. B 20(9) (2011) 090507. * [56] A.J. Lawrence, N.T. Kottegota, Stochastic modeling of riverflow time series. J. R. Stat. Soc., Ser. A (General) 140 (1) (1977) 1-47. * [57] E. Kocielny-Bunde, A. Bunde, S. Havlin, Y. Goldreich, Analysis of daily temperature fluctuations. Physica A 231 (1996) 393-396. * [58] V. Livina, Y. Ashkenazy, Z. Kizner, V. Strygin, A. Bunde, S. Halvin, A stochastic model of river discharge fluctuations. Physica A 330 (2003) 283-290. * [59] J. Niu, Precipitation in the Pearl River basin, South China: scaling, regional patters, and influence of large-scale climate anomalies. Stoch. Environ. Res. Risk Assess. 27 (2013) 1253-1268. Table 1: The geographical information of the rainfall stations and estimated multifractal parameters of the daily rainfall data in Pearl River basin. We list the stations according to the deceasing order of their elevations. | Station | Long. | Lat. | Elev. | | | | | | ---|---|---|---|---|---|---|---|---|---|--- Group | name | ( ∘) | ( ∘) | (m) | $\alpha$ | $h(1)$ | $\Delta h(q)$ | $h(2)$ | $K(2)$ | $K^{\prime}(2)$ | 56691 | 104.28 | 26.87 | 2237.5 | 0.9905 | 0.7239 | 0.4602 | 0.6106 | 0.1780 | 0.2266 | 56786 | 103.83 | 25.58 | 1998.7 | 1.2019 | 0.7279 | 0.6758 | 0.5666 | 0.1970 | 0.3226 | 56875 | 102.55 | 24.33 | 1716.9 | 0.9807 | 0.7898 | 0.8851 | 0.5248 | 0.1951 | 0.5300 Group 1 | 56886 | 103.77 | 24.53 | 1704.3 | 0.9563 | 0.7560 | 0.7340 | 0.5615 | 0.1877 | 0.3890 (with Elev. | 57806 | 105.90 | 26.25 | 1431.1 | 1.1437 | 0.6958 | 0.3929 | 0.5978 | 0.1886 | 0.1960 $\geq 1000$m | 57902 | 105.18 | 25.43 | 1378.5 | 1.0583 | 0.6908 | 0.4169 | 0.5797 | 0.1874 | 0.2222 | 56985 | 103.38 | 23.38 | 1300.7 | 0.9451 | 0.7567 | 0.4517 | 0.5805 | 0.2159 | 0.3524 | 57922 | 107.55 | 25.83 | 1013.3 | 1.1786 | 0.6932 | 0.3905 | 0.5902 | 0.1919 | 0.2060 | 59209 | 105.83 | 23.42 | 794.10 | 1.0300 | 0.7271 | 0.5094 | 0.5717 | 0.1745 | 0.3108 | 59218 | 106.42 | 23.13 | 739.90 | 1.1541 | 0.7188 | 0.6016 | 0.5779 | 0.1697 | 0.2818 Group 2 | 57906 | 106.08 | 25.18 | 566.80 | 0.9873 | 0.7125 | 0.4786 | 0.5816 | 0.2072 | 0.2618 (with Elev. | 59021 | 107.03 | 24.55 | 484.60 | 0.8460 | 0.6927 | 0.5752 | 0.5515 | 0.2009 | 0.2824 between | 57916 | 106.77 | 25.43 | 440.30 | 0.9970 | 0.7324 | 0.6086 | 0.5714 | 0.2105 | 0.3220 200m to | 59102 | 115.65 | 24.95 | 303.90 | 1.0614 | 0.7619 | 0.6160 | 0.6034 | 0.2184 | 0.3170 1000m) | 57932 | 108.53 | 25.97 | 285.70 | 1.0908 | 0.7102 | 0.5882 | 0.5807 | 0.2045 | 0.2590 | 59096 | 114.48 | 24.37 | 214.80 | 1.0230 | 0.7622 | 0.5354 | 0.6279 | 0.2145 | 0.2686 | 59211 | 106.60 | 23.90 | 173.50 | 0.7283 | 0.7395 | 0.5026 | 0.5893 | 0.2222 | 0.3004 | 59037 | 108.10 | 23.93 | 170.80 | 1.2448 | 0.7338 | 0.5106 | 0.6168 | 0.2316 | 0.2340 | 57957 | 110.30 | 25.32 | 164.40 | 0.8394 | 0.7308 | 0.7217 | 0.5804 | 0.2192 | 0.3008 | 59058 | 110.52 | 24.20 | 145.70 | 1.0215 | 0.7190 | 0.3825 | 0.6176 | 0.1916 | 0.2028 | 57996 | 114.32 | 25.13 | 133.80 | 0.8723 | 0.7465 | 0.5241 | 0.6200 | 0.1991 | 0.2530 | 59417 | 106.85 | 22.33 | 128.80 | 1.4062 | 0.7411 | 0.5340 | 0.6131 | 0.1880 | 0.2560 | 59431 | 108.22 | 22.63 | 121.60 | 1.1208 | 0.7404 | 0.4751 | 0.6208 | 0.2169 | 0.2392 | 57947 | 109.40 | 25.22 | 121.30 | 0.8441 | 0.7265 | 0.5512 | 0.5933 | 0.2393 | 0.2664 Group 3 | 59265 | 111.30 | 23.48 | 114.80 | 1.4781 | 0.7321 | 0.5647 | 0.5843 | 0.2116 | 0.2956 (with Elev. | 59065 | 111.53 | 24.42 | 108.80 | 0.8759 | 0.7425 | 0.4271 | 0.6272 | 0.1996 | 0.2306 $\leq 200$m) | 59072 | 112.38 | 24.78 | 98.30 | 1.0028 | 0.7403 | 0.4047 | 0.6287 | 0.1949 | 0.2232 | 59046 | 109.40 | 24.35 | 96.80 | 0.8041 | 0.7196 | 0.6851 | 0.5592 | 0.2191 | 0.3208 | 59242 | 109.23 | 23.75 | 84.90 | 0.7554 | 0.7342 | 0.5614 | 0.6077 | 0.2200 | 0.2530 | 59087 | 113.53 | 23.87 | 68.60 | 1.1332 | 0.7595 | 0.6136 | 0.6126 | 0.2201 | 0.2938 | 59082 | 113.60 | 24.68 | 61.00 | 0.9246 | 0.7466 | 0.6232 | 0.6155 | 0.2060 | 0.2622 | 59271 | 112.43 | 23.63 | 57.30 | 1.2472 | 0.7295 | 0.5859 | 0.5820 | 0.1889 | 0.2950 | 59462 | 111.57 | 22.77 | 53.30 | 1.3551 | 0.7411 | 0.5056 | 0.5901 | 0.2097 | 0.3020 | 59254 | 110.08 | 23.40 | 42.50 | 0.7011 | 0.7496 | 0.3724 | 0.6436 | 0.1978 | 0.2120 | 59278 | 112.45 | 23.03 | 41.00 | 1.6072 | 0.7472 | 0.7785 | 0.5413 | 0.1945 | 0.4118 | 59287 | 113.33 | 23.17 | 41.00 | 1.1680 | 0.7467 | 0.6313 | 0.5675 | 0.2113 | 0.3584 | 59293 | 114.68 | 23.73 | 40.60 | 0.9206 | 0.7711 | 0.5821 | 0.6040 | 0.2570 | 0.3342 | 59294 | 113.83 | 23.33 | 38.90 | 0.6213 | 0.7641 | 0.7561 | 0.5460 | 0.2104 | 0.4362 | 59478 | 112.78 | 22.25 | 32.70 | 0.8213 | 0.7829 | 0.6593 | 0.6031 | 0.2476 | 0.3596 | 59298 | 114.42 | 23.08 | 22.40 | 0.7185 | 0.7566 | 0.6993 | 0.5558 | 0.2308 | 0.4016 | 59493 | 114.10 | 22.55 | 18.20 | 1.1102 | 0.7695 | 0.7200 | 0.5552 | 0.2600 | 0.4286 mean | | | | | 1.0236 | 0.7381 | 0.5681 | 0.5891 | 0.2080 | 0.2980 $\pm$ std | | | | | $\pm$0.2141 | $\pm$0.0234 | $\pm$0.1210 | $\pm$0.0275 | $\pm$0.0205 | $\pm$0.0728 Figure 1: Location of the rain gauge stations in the Pearl River basin, China. Figure 2: The daily rainfall data of station 56691 and Station 57922 in the Pearl River basin over the entire study period. Figure 3: An example for obtaining the empirical $K(q)$ curve. Figure 4: The $K(q)$ curves of daily rainfall data in two stations (the dotted curves), and their fitted curves (continuous lines) by the universal multifractal model. Figure 5: An example for obtaining the empirical $h(q)$ curve. Figure 6: The $h(q)$ curves of daily rainfall data in two stations. Figure 7: The correlation relationship between the elevation of the rainfall stations and the $K(2)$ value of the rainfall time series for the Pearl River basin.
arxiv-papers
2014-02-17T15:23:52
2024-09-04T02:49:58.322397
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Zu-Guo Yu, Yee Leung, Yongqin David Chen, Qiang Zhang, Vo Anh and Yu\n Zhou", "submitter": "Zu-Guo Yu", "url": "https://arxiv.org/abs/1402.4030" }
1402.4205
Method of Studying $\mathchar 28931\relax^{0}_{b}$ decays with one missing particle Sheldon Stone and Liming Zhang Physics Department Syracuse University, Syracuse, NY, USA 13244-1130 A new technique is discussed that can be applied to $\mathchar 28931\relax^{0}_{b}$ baryon decays where decays with one missing particle can be discerned from background and their branching fractions determined, along with other properties of the decays. Applications include measurements of the CKM elements $|V_{ub}|$ and $|V_{cb}|$, and detection of any exotic objects coupling to $b\rightarrow s$ decays, such as the inflaton. Potential use of $\overline{B}^{0**}\rightarrow\pi^{+}B^{-}$ and $\overline{B}_{s}^{0**}\rightarrow K^{+}B^{-}$ to investigate $B^{-}$ decays is also commented upon. Submitted to Advances in High Energy Physics ## 1 Introduction Detection of $b$-flavored hadron decays with one missing neutral particle, such as a neutrino, is important for many measurements and searches. These include semileptonic decays, such as $\kern 1.79993pt\overline{\kern-1.79993ptB}{}\rightarrow D\mu^{-}\overline{\nu}$, $\kern 1.79993pt\overline{\kern-1.79993ptB}{}\rightarrow\pi\mu^{-}\overline{\nu}$, and any exotic long lived particles that could be produced in decays such as $\kern 1.79993pt\overline{\kern-1.79993ptB}{}\rightarrow X\chi$, where the $X$ is any combination of detected particles and the $\chi$ escapes the detector.111In this paper mention of a particular decay mode implies the use of the charge-conjugated mode as well. These measurements are possible at an $e^{+}e^{-}$ collider operating at the $\Upsilon(4S)$. Since $\Upsilon(4S)\rightarrow B\overline{B}$, fully reconstructing either the $B$ or the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}$ determines the negative of the initial four-momentum of the other. With this information it is possible to measure final states where one particle is not detected, such as a neutrino. To implement this procedure, taking the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}$ to be fully reconstructed, the missing mass-squared, $m_{x}^{2}$, is calculated including the information on the initial $B$ four-momentum and measurements of the found $X$ particles as $m_{x}^{2}=(E_{B}-E_{X})^{2}-(\overrightarrow{p}\\!\\!_{B}-\overrightarrow{p}\\!\\!_{X})^{2},$ (1) where $E$ and $\overrightarrow{p}$ indicate energy and three-momentum, respectively. Peaks in $m_{x}^{2}$ would be indicative of single missing particles in the $B$ decay. A related example is charm semileptonic decays with a missing neutrino. Determinations of branching fractions and form-factors have been carried out in fixed target experiments, exploiting the measured direction of the charmed hadron and assuming that the missing particle has zero mass, which leads to a two-fold ambiguity in the neutrino momentum calculation [1]. If the charm decay particle is a $D^{0}$, extra constraints can be imposed on its decay requiring it to be produced from a $D^{*+}$ in the decay $D^{*+}\rightarrow\pi^{+}D^{0}$. This leads to more constraints than unknowns, and is quite useful for rejecting backgrounds [2, *Agostino:2004na]. Interesting decays of the $\mathchar 28931\relax^{0}_{b}$ baryon also exist, but investigations are not feasible in the $\Upsilon(4S)$ energy region. Potential studies include determination of the CKM matrix element $|V_{cb}|$, possible using $\mathchar 28931\relax^{0}_{b}\rightarrow\mathchar 28931\relax_{c}^{+}\ell^{-}\overline{\nu}$ decays and $|V_{ub}|$ using the $\mathchar 28931\relax^{0}_{b}\rightarrow p\ell^{-}\overline{\nu}$ mode. Neutral particles that have not yet been seen could be searched for, even if they are stable or have long enough lifetimes that they would have only a very small fraction of their decays inside the detection apparatus. One example of such a possibly long-lived particle is the “inflaton.” This particle couples to a scalar field and is responsible for cosmological inflaton. Bezrukov and Gorbunov predicted branching fractions and decay modes of inflatons, $\chi$, in $\kern 1.79993pt\overline{\kern-1.79993ptB}{}$ meson decays [4] using a specific model, which is a particular version of the simple chaotic inflation with a quartic potential and having the inflaton field coupled to the SM Higgs boson via a renormalizable operator. For $\kern 1.79993pt\overline{\kern-1.79993ptB}{}\rightarrow\chi X_{s}$ decays the branching fraction is $\displaystyle{\cal{B}}(\kern 1.79993pt\overline{\kern-1.79993ptB}{}\rightarrow\chi X_{s})$ $\displaystyle\simeq 0.3\frac{\left|V_{ts}V_{tb}^{*}\right|^{2}}{\left|V_{cb}\right|^{2}}\left(\frac{m_{t}}{M_{W}}\right)^{4}\left(1-\frac{m_{\chi}^{2}}{m_{b}^{2}}\right)^{2}\theta^{2}$ (2) $\displaystyle\simeq 10^{-6}\cdot\left(1-\frac{m_{\chi}^{2}}{m_{b}^{2}}\right)^{2}\left(\frac{\beta}{\beta_{0}}\right)\left(\frac{\rm 300~{}MeV}{m_{\chi}}\right)^{2},$ where $X_{s}$ stands for strange meson channels mostly saturated by a sum of $K$ and $K^{*}(890)$ mesons, $m_{\chi}$ and $m_{t}$, the inflaton and top quark masses, respectively. The model parameters are $\theta$, $\beta$ and $\beta_{0}$, where $\beta/\beta_{0}\approx{\cal{O}}(1).$ Their inflaton branching fraction predictions are shown in Fig. 1(a). The branching fractions are quite similar for $\mathchar 28931\relax^{0}_{b}$ decays. The $\mathchar 28931\relax^{0}_{b}\rightarrow pK^{-}\chi$ channel would seem to be the most favorable, since the $\mathchar 28931\relax^{0}_{b}$ decay point could be accurately determined from the $pK^{-}$ vertex. The mass dependent inflaton branching fraction predictions for different decay modes are shown in Fig. 1(a). Collider searches that rely on directly detecting the inflaton decay products may not be sensitive to lifetimes much above a few times 1 ns [5], because the particles mostly decay outside of the detector, while searches that could be done inclusively, e.g., without detecting the inflaton decay products, would be independent of this restriction. Figure 1: Predictions from Ref. [4]. (a) Inflaton branching ratios to various two-body final states as functions of inflaton mass for $m_{\chi}<1.5$ GeV. Above 2.5 GeV only quark-antiquark and dilepton modes are predicted. In the intermediate region no reliable prediction is given. (b) Inflaton lifetime $\tau_{\chi}$ as a function of the inflaton mass $m_{\chi}$. The lifetime can be up to two times smaller, depending on model-dependent parameters. Use of $\mathchar 28931\relax^{0}_{b}$ decays in measuring CKM matrix elements as well as new particle searches has been not as fruitful as in $B$ meson decays because $e^{+}e^{-}$ machines have access only to the lighter $B$ mesons. In addition, absolute branching fraction determinations have been made difficult by the relatively large uncertainty on ${\cal{B}}(\mathchar 28931\relax_{c}^{+}\rightarrow pK^{-}\pi^{+})$. Recently, the Belle collaboration reduced this uncertainty from 25% to about 5%, allowing for measurements with much better precision [6]. Inclusive decay searches using $\mathchar 28931\relax^{0}_{b}$ baryons can be made at high energy colliders if it were possible to find a way to estimate the $\mathchar 28931\relax^{0}_{b}$ momentum. The $\mathchar 28931\relax^{0}_{b}$ direction is measured by using its finite decay distance. To get an estimate of the $\mathchar 28931\relax^{0}_{b}$ energy we can use $\mathchar 28931\relax^{0}_{b}$’s that come from $\mathchar 28934\relax_{b}^{\pm}\rightarrow\pi^{\pm}\mathchar 28931\relax^{0}_{b}$ and $\mathchar 28934\relax_{b}^{*\pm}\rightarrow\pi^{\pm}\mathchar 28931\relax^{0}_{b}$ decays. The $\mathchar 28934\relax_{b}^{(*)\pm}$ states were found by the CDF collaboration [7]. Their masses and widths are consistent with theoretical predictions [8]. The $\mathchar 28931\relax^{0}_{b}$ energy is determined from the measurement of the $\pi^{\pm}$ from the $\mathchar 28934\relax_{b}^{(*)}$ decay along with the $\mathchar 28931\relax^{0}_{b}$ direction. Let us assume we have a pion from the $\mathchar 28934\relax_{b}^{(*)}$ decay. Then $m_{\mathchar 28934\relax_{b}^{(*)}}^{2}=(E_{\pi}+E_{\mathchar 28931\relax^{0}_{b}})^{2}-(\overrightarrow{p}\\!\\!_{\pi}+\overrightarrow{p}\\!\\!_{\mathchar 28931\relax^{0}_{b}})^{2},$ (3) and after some algebraic manipulations we find $\displaystyle|p_{\mathchar 28931\relax^{0}_{b}}|$ $\displaystyle=$ $\displaystyle(-b\pm\sqrt{b^{2}-4ac})/(2a)$ (4) $\displaystyle a$ $\displaystyle=$ $\displaystyle 4(E^{2}_{\pi}-p^{2}_{\pi}\cos^{2}\theta)$ $\displaystyle b$ $\displaystyle=$ $\displaystyle-4p_{\pi}\Delta^{2}_{m}\cos\theta$ $\displaystyle c$ $\displaystyle=$ $\displaystyle 4E^{2}_{\pi}m^{2}_{\mathchar 28931\relax^{0}_{b}}-\Delta^{4}_{m}$ $\displaystyle\Delta^{2}_{m}$ $\displaystyle=$ $\displaystyle m^{2}_{\mathchar 28934\relax_{b}^{(*)}}-m^{2}_{\pi}-m^{2}_{\mathchar 28931\relax^{0}_{b}},$ where $\cos\theta$ is the measured angle between the pion and the $\mathchar 28931\relax^{0}_{b}$, and $m_{\mathchar 28934\relax_{b}^{(*)}}$ indicates either the $\mathchar 28934\relax_{b}$ or $\mathchar 28934\relax_{b}^{*}$ mass. With the measured $\mathchar 28931\relax^{0}_{b}$ direction and $\mathchar 28931\relax^{0}_{b}$ energy Eq. (1) can now be used to find decays with any number of detected and one missing particle. Two possible solutions result because of the $\pm$ sign in the first line of Eq. 4. In similar studies one solution is often unphysical. This was seen, for example, using $D^{*+}\rightarrow\pi^{+}D^{0}$, $D^{0}\rightarrow K^{-}\pi^{+}\pi^{+}\pi^{-}$ decays with one missing pion [9]. The resolution in $m_{x}^{2}$ depends on several quantities including the measurement uncertainties on momentum of the final state particles and the $\mathchar 28931\relax^{0}_{b}$ direction, so it may be advantageous for analyses to select long-lived decays at the expense of statistics. The relatively long $\mathchar 28931\relax^{0}_{b}$ lifetime of about 1.5 ps is helpful in this respect [10, *Aaij:2014owa]. The $\mathchar 28934\relax_{b}^{(*)\pm}$ states have only been seen by CDF [7]. Their data are shown in Fig. 2, and listed in Table 1. Figure 2: The ${Q=M(\mathchar 28931\relax^{0}_{b}\pi^{\pm})-M(\mathchar 28931\relax^{0}_{b})-m_{\pi}}$ spectrum for candidates with the projection of the corresponding unbinned likelihood fit superimposed, (a) for $\pi^{+}\mathchar 28931\relax^{0}_{b}$ and (b) for $\pi^{-}\mathchar 28931\relax^{0}_{b}$ candidates. (From Ref. [7]). Table 1: Summary of the results of the fits to the ${Q=M(\mathchar 28931\relax^{0}_{b}\pi^{\pm})-M(\mathchar 28931\relax^{0}_{b})-m_{\pi}}$ spectra from CDF [7]. State | $Q$ value, | Natural width, | Yield ---|---|---|--- | MeV | $\Gamma_{0}$, MeV | ${\mathchar 28934\relax_{b}^{-}}$ | ${56.2}_{-0.5}^{+0.6}$ | ${4.9}_{-2.1}^{+3.1}$ | $340_{-70}^{+90}$ ${\mathchar 28934\relax_{b}^{*-}}$ | ${75.8}\pm{0.6}$ | ${7.5}_{-1.8}^{+2.2}$ | $540_{-80}^{+90}$ ${\mathchar 28934\relax_{b}^{+}}$ | ${52.1}_{-0.8}^{+0.9}$ | ${9.7}_{-2.8}^{+3.8}$ | $470_{-90}^{+110}$ ${\mathchar 28934\relax_{b}^{*+}}$ | ${72.8}\pm{0.7}$ | ${11.5}_{-2.2}^{+2.7}$ | $800_{-100}^{+110}$ ## 2 Potential measurements Although there is no measurement of the relative $\mathchar 28934\relax_{b}^{(*)\pm}/\mathchar 28931\relax^{0}_{b}$ production cross- section, $r_{\mathchar 28934\relax\Lambda}$, one might imagine that the production ratio would be close to unity. The pions from the $\mathchar 28934\relax_{b}^{(*)\pm}$ decays have relatively low momenta, so their detection efficiencies could be small. Although CDF does not report a value for the production ratio, the number of seen signal events gives an observed value of $r_{\mathchar 28934\relax\Lambda}$ equal to 13%. This is certainly a useful sample. Backgrounds will be an issue, however, as the CDF data do show a substantial amount of non-resonant combinations under the signal peaks, but this will not prevent searches, just limit their sensitivities with a given data sample. Measurement of $|V_{cb}|$, determined using $\mathchar 28931\relax^{0}_{b}\rightarrow\mathchar 28931\relax_{c}^{+}\ell^{-}\overline{\nu}$ decays with $\mathchar 28931\relax_{c}^{+}\rightarrow pK^{-}\pi^{+}$ would provide an important cross-check on this important fundamental parameter, especially when updated lattice gauge calculations become available [12]. This measurement is not subject to the uncertainty on ${\cal{B}}(\mathchar 28931\relax_{c}^{+}\rightarrow pK^{-}\pi^{+})$ provided that the total number of $\mathchar 28931\relax^{0}_{b}$ events in the event sample is determined using the same branching fraction [13]. The LHCb determination of the ratio of $\mathchar 28931\relax^{0}_{b}$ to $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ production, for example, uses the $\mathchar 28931\relax_{c}^{+}\rightarrow pK^{-}\pi^{+}$ decay mode [14], and then the absolute number of $\mathchar 28931\relax^{0}_{b}$ events produced is found by measuring the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ rate in a channel with a known branching fraction. The branching ratio for the channel $\mathchar 28931\relax^{0}_{b}\rightarrow\mathchar 28931\relax_{c}^{+}\ell^{-}\overline{\nu}$ can be determined using Eq. (1) using the measured value for the $\mathchar 28931\relax^{0}_{b}$ energy determined by using Eq. (4); a signal would appear near $m_{x}^{2}$ equal to zero. To determine the four-momentum transfer squared from the $\mathchar 28931\relax^{0}_{b}$ to the $\mathchar 28931\relax_{c}^{+}$ a similar procedure as used in the decay sequence $D^{*+}\rightarrow D^{0}\pi^{+}$, $D^{0}\rightarrow K^{*-}\ell^{+}\nu$ can be implemented [2, *Agostino:2004na]. In this procedure, the neutrino mass is set to zero, $(E_{\mathchar 28931\relax^{0}_{b}}-E_{X})^{2}-(\vec{p}_{\mathchar 28931\relax^{0}_{b}}-\vec{p}_{X})^{2}=m_{x}^{2}=0,$ (5) where $X$ represents the sum of $\mathchar 28931\relax_{c}^{+}$ and $\ell^{-}$ energies and momenta. Eq. (3) and Eq. (5) can be used as two constraint equations with one unknown variable $|p_{\mathchar 28931\relax^{0}_{b}}|$. Measurement of $|V_{ub}|$ using $\mathchar 28931\relax^{0}_{b}\rightarrow p\ell^{-}\overline{\nu}$ decays is subject to the uncertainty on ${\cal{B}}(\mathchar 28931\relax_{c}^{+}\rightarrow pK^{-}\pi^{+})$ , but here the current precision of 5% on this branching fraction is sufficient. Theoretical calculations of the decay width from the lattice gauge calculations done in a limited four-momentum transfer range [15], light cone sum rules [16, 17, *Azizi:2009wn, *Huang:2004vf], and QCD sum rules [20, *Huang:1998rq] can be used to extract $|V_{ub}|$. The $p\ell^{-}\overline{\nu}$ final state is subject to backgrounds from $N^{*}\ell^{-}\overline{\nu}$, where $N^{*}\rightarrow p\pi^{0}$, that are difficult to eliminate and thus the use of the $\mathchar 28934\relax_{b}^{(*)\pm}\rightarrow\pi^{\pm}\mathchar 28931\relax^{0}_{b}$ decay sequence may be crucial. The decay sequence constraint can also possibly help measure the branching fraction for $\mathchar 28931\relax^{0}_{b}\rightarrow\mathchar 28931\relax_{c}^{(*)+}\tau^{-}\overline{\nu}$ decays as measurements in the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}$ meson system of analogous decays are somewhat larger than Standard Model predictions [22, *Adachi:2009qg, *Bozek:2010xy]. Particles characteristic of scalar fields such as inflatons or dilatons can be searched for in $\mathchar 28931\relax^{0}_{b}$ decays. It is also possible to search for Majorana neutrinos through a process similar to that used for searches in $B^{-}\rightarrow\mu^{-}\mu^{-}\pi^{+}$ decays [5, 25, *Aaij:2011ex], where the Majorana neutrino, $\nu_{M}$, decays into a $\mu^{-}\pi^{+}$ pair. The initial quark content of the $\mathchar 28931\relax^{0}_{b}$ is $bud$. The $b$-quark can annihilate with a $\overline{u}$-quark from a $u\overline{u}$ pair arising from the vacuum into a virtual $W^{-}$ leaving a $uud$ system that can form a $p$. The virtual $W^{-}$ then can decay into $\mu^{-}$ in association with a Majorana neutrino that can transform to its own anti-particle and decay into $\mu^{-}$ and a virtual $W^{+}$. In the analogous case to the $B^{-}\rightarrow\mu^{-}\mu^{-}\pi^{+}$ decay, the $W^{+}$ would decay into a $\pi^{+}$, however here we do not have to detect the Majorana decays, so we can look for the decay $\mathchar 28931\relax^{0}_{b}\rightarrow p\mu^{-}\nu_{M}$ independently of the $\nu_{M}$ decay mode or lifetime. Other mechanisms for Majorana neutrino production discussed in Ref. [27] for $B^{-}$ decays when adopted to $\mathchar 28931\relax^{0}_{b}$ decays, would also lead to the $p\mu^{-}\nu_{M}$ final state. A more mundane search can be considered for $\mathchar 28931\relax^{0}_{b}$ decays into non-charmed final states containing $\mathchar 28934\relax^{\pm}$ light baryons; these have been proposed for flavor SU(3) tests [28]. Since the largest decay modes are $\mathchar 28934\relax^{-}\rightarrow n\pi^{-}$, and $\mathchar 28934\relax^{+}\rightarrow n\pi^{+}$ or $p\pi^{0}$, there is always a missing neutron in the $\mathchar 28934\relax^{-}$ decay, while the $\mathchar 28934\relax^{+}$, in principle, can be detected in the $p\pi^{0}$ mode. The method suggested here can be adopted to search for both $\mathchar 28934\relax^{-}$ and $\mathchar 28934\relax^{+}$ baryons in $\mathchar 28931\relax^{0}_{b}$ decays. Note that similar methods can be applied to $B^{-}$ decays by the use of the $\overline{B}^{0**}\rightarrow\pi^{+}B^{-}$ decay sequence. The measured production ratio of $\left(\overline{B}^{0**}\rightarrow\pi^{+}B^{-}\right)/B^{-}$ is about 15%, but the $B^{0**}$’s have widths of about 130 MeV which introduces very large backgrounds that have thus far precluded their use. Another possible source of tagged $B^{-}$ events is the decays of $\overline{B}_{s}^{0**}$ mesons into a $K^{+}B^{-}$ that would have the advantage of a charged kaon tag, and have a much narrower width. In conclusion, we propose a new method of analyzing $\mathchar 28931\relax^{0}_{b}$ decays into one missing particle, where the $\mathchar 28931\relax^{0}_{b}$ is part of a detected $\mathchar 28934\relax_{b}^{(*)\pm}\rightarrow\pi^{\pm}\mathchar 28931\relax^{0}_{b}$ decay that provides additional kinematic constraints. This method may be useful for studies of CKM elements and searches for new particles such as inflatons, dilatons or Majorana neutrinos. Thus, investigations of $\mathchar 28931\relax^{0}_{b}$ decays may present a unique opportunity in the study of $b$-flavored hadron decays. ## Acknowledgements We are grateful for the support of the National Science Foundation, and discussions with Jon Rosner, and many of our LHCb colleagues. ## References * [1] E791 Collaboration, E. Aitala et al., Measurement of the form-factor ratios for $D^{+}\rightarrow\overline{K}^{*0}\ell^{+}\nu_{\ell}$, Phys. Lett. B440 (1998) 435, arXiv:hep-ex/9809026 * [2] FOCUS Collaboration, J. Link et al., Analysis of the semileptonic decay $D^{0}\rightarrow\overline{K}^{0}\pi^{-}\mu^{+}\nu$, Phys. Lett. B607 (2005) 67, arXiv:hep-ex/0410067 * [3] L. Agostino, Pseudoscalar Semileptonic Decays of the $D^{0}$ Meson, 2004. FERMILAB-THESIS-2004-59, UMI-31-53801-MC * [4] F. Bezrukov and D. Gorbunov, Light inflaton Hunter’s Guide, JHEP 1005 (2010) 010, arXiv:0912.0390 * [5] LHCb Collaboration, R. 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Lett. 111 (2013) 102003, arXiv:1307.2476 * [11] LHCb collaboration, R. Aaij et al., Measurements of the $B^{+}$, $B^{0}$, $B_{s}^{0}$ meson and $\mathchar 28931\relax^{0}_{b}$ baryon lifetimes, arXiv:1402.2554 * [12] UKQCD Collaboration, K. Bowler et al., First lattice study of semileptonic decays of $\mathchar 28931\relax^{0}_{b}$ and $\mathchar 28932\relax_{b}$ baryons, Phys. Rev. D57 (1998) 6948, arXiv:hep-lat/9709028 * [13] LHCb Collaboration, R. Aaij et al., Study of the kinematic dependences of $\mathchar 28931\relax^{0}_{b}$ production in $pp$ collisions and a measurement of the $\mathchar 28931\relax^{0}_{b}\rightarrow\mathchar 28931\relax_{c}^{+}\pi^{-}$ branching fraction, arXiv:1405.6842 * [14] LHCb Collaboration, Updated average $f_{s}/f_{d}$ $b$-hadron production fraction ratio for 7 TeV $pp$ collisions, 2013\. LHCb-CONF-2013-011, CERN-LHCb-CONF-2013-011 * [15] W. Detmold, C. J. D. Lin, S. Meinel, and M. Wingate, $\mathchar 28931\relax^{0}_{b}\rightarrow pl^{-}\bar{\nu}$ form factors from lattice QCD with static $b$ quarks, Phys. Rev. D88 (2013) 014512, arXiv:1306.0446 * [16] A. Khodjamirian, C. Klein, T. Mannel, and Y.-M. Wang, Form Factors and Strong Couplings of Heavy Baryons from QCD Light-Cone Sum Rules, JHEP 1109 (2011) 106, arXiv:1108.2971 * [17] Y.-M. Wang, Y.-L. Shen, and C.-D. Lu, $\mathchar 28931\relax^{0}_{b}\rightarrow p$, $\mathchar 28931\relax$ transition form factors from QCD light-cone sum rules, Phys. Rev. D80 (2009) 074012, arXiv:0907.4008 * [18] K. Azizi, M. Bayar, Y. Sarac, and H. Sundu, Semileptonic $\mathchar 28931\relax_{b,c}$ to Nucleon Transitions in Full QCD at Light Cone, Phys. Rev. D80 (2009) 096007, arXiv:0908.1758 * [19] M.-q. Huang and D.-W. Wang, Light cone QCD sum rules for the semileptonic decay $\mathchar 28931\relax^{0}_{b}\rightarrow p\mu^{-}\overline{\nu}$, Phys. Rev. D69 (2004) 094003, arXiv:hep-ph/0401094 * [20] R. Marques de Carvalho et al., Form-factors and decay rates for heavy Lambda semileptonic decays from QCD sum rules, Phys. Rev. D60 (1999) 034009, arXiv:hep-ph/9903326 * [21] C.-S. Huang, C.-F. Qiao, and H.-G. Yan, Decay $\mathchar 28931\relax^{0}_{b}\rightarrow p\mu^{-}\overline{\nu}$ in QCD sum rules, Phys. Lett. B437 (1998) 403, arXiv:hep-ph/9805452 * [22] BaBar Collaboration, J. Lees et al., Measurement of an excess of $\kern 1.79993pt\overline{\kern-1.79993ptB}{}\rightarrow D^{(*)}\tau^{-}\overline{\nu}$ decays and implications for charged Higgs bosons, Phys. Rev. D88 (2013) 072012, arXiv:1303.0571 * [23] Belle Collaboration, I. Adachi et al., Measurement of $\kern 1.79993pt\overline{\kern-1.79993ptB}{}\rightarrow D^{(*)}\tau^{-}\overline{\nu}$ using full reconstruction tags, arXiv:0910.4301 * [24] Belle Collaboration, A. Bozek et al., Observation of $B^{+}\rightarrow\overline{D}^{*0}\tau^{+}\nu$ and evidence for $B^{+}\rightarrow\overline{D}^{0}\tau^{+}\nu$ at Belle, Phys. Rev. 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arxiv-papers
2014-02-18T02:13:46
2024-09-04T02:49:58.337696
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Sheldon Stone and Liming Zhang", "submitter": "Sheldon Stone", "url": "https://arxiv.org/abs/1402.4205" }
1402.4221
# Blow-up formulae of high genus Gromov-Witten invariants in dimension six Weiqiang He1 Department of Mathematics Sun Yat-Sen University Guangzhou, 510275 China [email protected] , Jianxun Hu2 Department of Mathematics Sun Yat-Sen University Guangzhou, 510275 China [email protected] , Hua-Zhong Ke Department of Mathematics Sun Yat-Sen University Guangzhou, 510275 China [email protected] and Xiaoxia Qi Sino-French Institute of Nuclear and Technology Sun Yat-sen University Tang Jia Wan, Zhuhai 519082 China [email protected] ###### Abstract. Using the degeneration formula and absolute/relative correspondence, one studied the change of Gromov-Witten invariants under blow-up for six dimensional symplectic manifolds and obtained closed blow-up formulae for high genus Gromov-Witten invariants. Our formulae also imply some relations among generalized BPS numbers introduced by Pandharipande. Key words: Gromov-Witten invariant, Blow-up, Degeneration formula, Absolute/relative correspondence, Degenerate contribution 1Partially supported by China Scholarship Council 2Partially supported by NSFC Grant 11228101 and 11371381 ###### Contents 1. 1 Introduction 2. 2 Preliminaries 3. 3 Formulae for Blow-up at a point 4. 4 Formulae for Blow-up along a smooth curve 5. 5 Generalized BPS numbers ## 1\. Introduction Gromov-Witten invariants count stable pseudo-holomorphic curves in a symplectic manifold. The Gromov-Witten invariants for semi-positive symplectic manifolds were first defined by Ruan [R1] and Ruan-Tian [RT1, RT2]. Gromov- Witten invariants can be applied to define a quantum product on the cohomology groups of a symplectic manifold in [RT1] and have many applications in symplectic geometry and symplectic topology, see [MS] and references therein. Using the virtual moduli cycle technique, Li-Tian [LT1] defined the Gromov- Witten invariants purely algebraically for smooth projective varieties. During last two decades, there were a great deal of activities to remove the semi- positivity condition, see [B, FO, R2, S, LT2]. After its mathematical foundation was established, the study of Gromov-Witten theory focused on its computation and applications. We now know a lot about genus zero invariants of, say, toric manifolds, homogeneous spaces, etc. Some of the higher genus computations have also been done, but the understanding of higher genus Gromov-Witten invariants is still far from complete. The computation of the Gromov-Witten invariants is known to be a difficult problem in geometry and physics. There are two major techniques: the degeneration formula and localization. Li-Ruan [LR] first obtained the degeneration formula, see [IP] for a different version and [Li] for an algebraical version. It used to be applied to the situations that a symplectic or Kahler manifold $X$ degenerates into a union of two pieces $X^{\pm}$ glued along a common divisor $Z$. The idea of degeneration formula is to express the Gromov-Witten invariants of $X$ in terms of relative Gromov-Witten invariants of the pairs $(X^{\pm},Z)$. Localization played a very important role in the computation of Gromov-Witten invariants. Kontsevich [Ko2] first introduced this technique into this field, then Givental [Gi] and Lian-Liu-Yau [LLY] applied this technique to prove the mirror theorem in the genus zero case. So far the computation of high genus invariants is still a difficult task. The difficulty is that the localization technique often transfers the computation of high genus invariants into that of some Hodge integrals over $\bar{\mathscr{M}}_{g,n}$, which so far one does not have effective methods to compute. To obtain some general structures or close formulae of Gromov-Witten theory in many applications, we degenerate a symplectic or Kahler manifold into two toric relative pairs $(X^{\pm},Z)$ and then use the localization technique to compute the associated relative invariants, see [HLR, MP]. The combination of the degeneration technique and localization technique has proven to be very powerful. Ruan [R3] speculated that there should be a deep relation between quantum cohomology and birational geometry. The birational symplectic geometry program requires a thorough understanding of blow-up type formula of Gromov-Witten invariants and quantum cohomology, because blow-up is the elementary birational surgery. Actually, it is rare to be able to obtain a general blow- up formula. For the last twenty years, only a few limited case were known, see [H1, H2, G]. Hu-Li-Ruan [HLR] studied the change of Gromov-Witten invariants under blow-up and obtained a blow-up correspondence of absolute/relative Gromov-Witten invariants. The second named author [H1, H2] obtained some blow- up formulae for genus zero Gromov-Witten invariants. In this paper, we try to apply the degeneration formula to study the change of Gromov-Witten invariants under blow-ups and generalize a genus zero formula in [H1] to all genera case in dimension six. Throughout this paper, let $X$ be a connected, closed, smooth symplectic manifold of real dimension six, and $p:\tilde{X}\rightarrow X$ the natural projection of the symplectic blow-up $\tilde{X}$ of $X$ along a connected smooth symplectic submanifold of $X$. Let $E$ be the exceptional divisor of the blow-up, and $e\in H_{2}(\tilde{X},{\mathbb{Z}})$ the class of a line in the fiber of $E$. Note that $p$ induces a natural injection via ’pullback’ of $2$-cycles $p^{!}=PD_{\tilde{X}}\circ p^{*}\circ PD_{X}:H_{2}(X,{\mathbb{Z}})\rightarrow H_{2}(\tilde{X},{\mathbb{Z}}),$ where the image of $p^{!}$ is the subset of $H_{2}(\tilde{X},{\mathbb{Z}})$ consisting of $2$-cycles having intersection number zero with $E$. We first consider blow-up at a point. Given a nonzero class $A\in H_{2}(X,{\mathbb{Z}})$, from the viewpoint of geometry, we could express the condition of counting curves with homology class $A$ passing through a generic point in $X$ in two ways: adding a point class, or blowing up $X$ at the point and counting curves in $\tilde{X}$ with homology class $p^{!}A-e$. One would expect that the two methods give the same Gromov-Witten invariants, which was proved by the second named author [H1] in all dimensions for $g=0$, and by the fourth named author [Q] in real dimension four for all genera. In this paper, we study the dimension six case for all genera: ###### Theorem 1.1. Let $p:\tilde{X}\rightarrow X$ be the blow-up at a point. Suppose that $\alpha_{1},\cdots,\alpha_{m}\in H^{>0}(X,{\mathbb{Q}})$, $1\leq i\leq m$, and $d_{1},\cdots,d_{m}\in{\mathbb{Z}}_{\geqslant 0}$. Then for nonzero $A\in H_{2}(X,{\mathbb{Z}})$ and $g\geq 0$, we have $\langle[pt],\tau_{d_{1}}\alpha_{1},\cdots,\tau_{d_{m}}\alpha_{m}\rangle^{X}_{g,A}=\sum_{g_{1}+g_{2}=g}\frac{(-1)^{g_{1}}\cdot 2}{(2g_{1}+2)!}\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g_{2},p^{!}A-e}.$ ###### Theorem 1.2. Under the same assumptions as in Theorem 1.1, we have $\displaystyle\langle\tau_{1}[pt],\tau_{d_{1}}\alpha_{1},\cdots,\tau_{d_{m}}\alpha_{m}\rangle^{X}_{g,A}$ $\displaystyle=$ $\displaystyle\sum_{g_{1}+g_{2}=g}\frac{(-1)^{g_{1}}}{(2g_{1}+1)!}\langle-E^{2},\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g_{2},p^{!}A-e}.$ Through studying the proof of Theorem 1.2 carefully, we obtain the following result, which seems to be nontrivial when compared with divisor equation and dilaton equation. ###### Theorem 1.3. Under the same assumptions as in Theorem 1.1, we have $\displaystyle\langle\tau_{1}E,\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g,p^{!}A-e}$ $\displaystyle=$ $\displaystyle 3\langle-E^{2},\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g,p^{!}A-e}$ $\displaystyle\qquad-2\sum_{g_{1}+g_{2}=g}\frac{(-1)^{g_{1}}}{(2g_{1}+1)!}\langle-E^{2},\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g_{2},p^{!}A-e}.$ We also consider the blow-up along a curve. ###### Theorem 1.4. Let $p:\tilde{X}\rightarrow X$ be the blow-up along a smooth curve $C$ with $\int_{C}c_{1}(X)>0$. Suppose that $\alpha_{1},\cdots,\alpha_{m}\in H^{>2}(X,{\mathbb{Q}})$, $1\leq i\leq m$, support away from the curve $C$, and $d_{1},\cdots,d_{m}\in{\mathbb{Z}}_{\geqslant 0}$. Then for nonzero $A\in H_{2}(X,{\mathbb{Z}})$ and $g\geq 0$, we have $\langle[C],\tau_{d_{1}}\alpha_{1},\cdots,\tau_{d_{m}}\alpha_{m}\rangle^{X}_{g,A}=\sum_{g_{1}+g_{2}=g}\frac{(-1)^{g_{1}}}{(2g_{1}+1)!\cdot 2^{2g_{1}}}\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g_{2},p^{!}A-e}.$ The above blow-up formulae relate Gromov-Witten invariants of $X$ and those of $\tilde{X}$ in a nontrivial way. Theorem 1.1 and 1.4 imply the following simple relations among generalized BPS numbers $n^{X}_{g,A}(\alpha_{1},\dots,\alpha_{m})$ introduced by Pandharipande [P1, P2]. ###### Proposition 1.5. Suppose that $\alpha_{1},\cdots,\alpha_{m}\in H^{>2}(X,{\mathbb{Q}})$, $A\in H_{2}(X,{\mathbb{Z}})$ is nonzero and $g\in{\mathbb{Z}}_{\geqslant 0}$. * (a) If $p:\tilde{X}\rightarrow X$ is the blow-up at a point, then we have $n_{g,A}^{X}([pt],\alpha_{1},\cdots,\alpha_{m})=n_{g,p^{!}A-e}^{\tilde{X}}(p^{*}\alpha_{1},\cdots,p^{*}\alpha_{m}).$ * (b) If $p:\tilde{X}\rightarrow X$ is the blow-up along a smooth curve $C$ with $\int_{C}c_{1}(X)>0$, then we have $n_{g,A}^{X}([C],\alpha_{1},\cdots,\alpha_{m})=n_{g,p^{!}A-e}^{\tilde{X}}(p^{*}\alpha_{1},\cdots,p^{*}\alpha_{m}).$ Our proof of the above blow-up formulae is inspired by the absolute/relative correspondence obtained by Hu-Li-Ruan [HLR], which is a generalization of the idea of Maulik-Pandharipande [MP]. This correspondence partially describes the change of Gromov-Witten invarians under blow-ups. We first use degeneration formula to obtain comparison results between absolute and relative Gromov- Witten invariants, and then use these comparison results to prove our blow-up formulae. The rest of the paper is organized as follows. In Section 2, we briefly review basic materials of absolute/relative Gromov-Witten invariants and the degeneration formula. In Section 3, we consider the case of blow-up at a point and prove Theorem 1.1, 1.2 and 1.3. In Section 4, we consider the case of blow-up along a smooth curve and prove Theorem 1.4. In Section 5, we review the definition of generalized BPS numbers and prove Corollary 1.5. ## 2\. Preliminaries In this section, we briefly review absolute/relative Gromov-Witten invariants and the degeneration formula and fix notations throughout. We use [LR] as our general reference. Recall that we always let $X$ be a connected compact smooth symplectic manifold of real dimension six. For $A\in H_{2}(X,{\mathbb{Z}})$, let $\overline{\mathscr{M}}_{g,m}(X,A)$ be the moduli space of connected $m$-pointed stable maps to $X$ of arithmetic genus $g$ and degree $A$. Let $e_{i}:\overline{\mathscr{M}}_{g,m}(X,A)\longrightarrow X$ be the evaluation map at the $i^{th}$ marked point. The Gromov-Witten invariants of $X$ are defined as $\langle\tau_{d_{1}}\alpha_{1},\cdots,\tau_{d_{m}}\alpha_{m}\rangle^{X}_{g,A}:=\int_{[\overline{\mathscr{M}}_{g,m}(X,A)]^{vir}}\prod\limits_{i=1}^{m}\psi_{i}^{d_{i}}e_{i}^{*}\alpha_{i},$ where $\alpha_{1},\cdots,\alpha_{m}\in H^{*}(X,{\mathbb{Q}})$, $d_{1},\cdots,d_{m}\in{\mathbb{Z}}_{\geqslant 0}$, $\psi_{i}$ is the first Chern class of the cotangent line bundle, and $[\overline{\mathscr{M}}_{g,m}(X,A)]^{vir}$ is the virtual fundamental cycle. The degeneration formula [LR, IP, Li] provides a rigorous formulation about the change of Gromov-Witten invariants under semi-stable degeneration, or symplectic cutting. The formula relates the absolute Gromov-Witten invariant of $X$ to the relative Gromov-Witten invariants of two smooth pairs. Now we recall the relative invariants of a smooth relative pair $(X,Z)$ with $Z\hookrightarrow X$ a connected smooth symplectic divisor. Let $A\in H_{2}(X,{\mathbb{Z}})$ with $A\cdot Z\geqslant 0$, and $\mu$ a partition of $A\cdot Z$. We customarily use relative graphs to describe the topological type of relative stable maps. A connected relative graph $\Gamma=(g,m,A,\mu)$ is defined to be a connected decorated graph consisting of the following data: 1. (1) a vertex decorated by $A$ and genus $g$; 2. (2) $m$ tails with no decoration; 3. (3) $\ell(\mu)$ tails decorated by entries of $\mu$. A connected relative stable map has topological type $\Gamma$ if it has arithmetic genus $g$, degree $A$, $m$ absolute marked points and $\ell(\mu)$ relative marked points with contact order given by $\mu$. Let $\overline{\mathscr{M}}_{\Gamma}(X,Z)$ be the moduli space of connected relative stable maps with topological type $\Gamma$. Let $e_{i}:\overline{\mathscr{M}}_{\Gamma}(X,Z)\longrightarrow X$ be the evaluation map at the $i^{th}$ absolute marked point, and $e_{j}^{Z}:\overline{\mathscr{M}}_{\Gamma}(X,Z)\longrightarrow Z$ the evaluation map at the $j^{th}$ relative marked point. The relative Gromov- Witten invariants of $(X,Z)$ are of the form $\langle\tau_{d_{1}}\alpha_{1},\cdots,\tau_{d_{m}}\alpha_{m}\mid\delta_{1},\cdots,\delta_{\ell(\mu)}\rangle_{\Gamma}^{X,Z}:=\int_{[\overline{\mathscr{M}}_{\Gamma}(X,Z)]^{vir}}\prod_{i=1}^{m}\psi_{i}^{d_{i}}e_{i}^{*}\alpha_{i}\cdot\prod\limits_{j=1}^{\ell(\mu)}(e^{Z}_{j})^{*}\delta_{i},$ where $\alpha_{1},\cdots,\alpha_{m}\in H^{*}(X,{\mathbb{Q}}),d_{1},\cdots,d_{m}\in{\mathbb{Z}}_{\geqslant 0},\delta_{1},\cdots,\delta_{\ell(\mu)}\in H^{*}(Z,{\mathbb{Q}})$, and $[\overline{\mathscr{M}}_{\Gamma}(X,Z)]^{vir}$ is the virtual fundamental cycle of dimension: $\dim[\overline{\mathscr{M}}_{\Gamma}(X,Z)]^{vir}=2\int_{A}c_{1}(X)+2m+2\ell(\mu)-2|\mu|.$ The relative invariants with disconnceted domains are defined by the usual product rule, and the invariants will be denoted by $\langle\cdots|\cdots\rangle_{\Gamma}^{\bullet X,Z}$. Next, we shall introduce the degeneration formula. Let $\pi:\chi\longrightarrow D$ be a connected, smooth symplectic manifold of real dimension eight over a disk $D$ such that $\chi_{t}=\pi^{-1}(t)\cong X$ for $t\not=0$ and $\chi_{0}$ is a union of two connected compact smooth symplectic manifolds $X_{1}$ and $X_{2}$ intersecting transversally along a symplectic divisor $Z$. We write $\chi_{0}=X_{1}\cup_{Z}X_{2}$. Consider the natural inclusion maps $i_{t}:X=\chi_{t}\longrightarrow\chi,\,\,\,\,\,\,\,\,i_{0}:\chi_{0}\longrightarrow\chi,$ and the gluing map $g=(j_{1},j_{2}):X_{1}\coprod X_{2}\longrightarrow\chi_{0}.$ We have $H_{2}(X,{\mathbb{Z}})\stackrel{{\scriptstyle i_{t*}}}{{\longrightarrow}}H_{2}(\chi,{\mathbb{Z}})\stackrel{{\scriptstyle i_{0_{*}}}}{{\longleftarrow}}H_{2}(\chi_{0},{\mathbb{Z}})\stackrel{{\scriptstyle g_{*}}}{{\longleftarrow}}H_{2}(X_{1},{\mathbb{Z}})\oplus H_{2}(X_{2},{\mathbb{Z}}),$ where $i_{0*}$ is an isomorphism since there exists a deformation retract from $\chi$ to $\chi_{0}$(see [C]). Also, since the family $\chi\longrightarrow D$ comes from a trivial family, it follows that each $\alpha\in H^{*}(X,{\mathbb{Q}})$ has global liftings such that the restriction $\alpha(t)$ on $\chi_{t}$ is defined for all $t$. Fix a basis $\\{\delta_{i}\\}$ of $H^{*}(Z,{\mathbb{Q}})$ and denote by $\\{\delta^{i}\\}$ its dual basis. The degeneration formula expresses the absolute invariants of $X$ in terms of the relative invariants of the two smooth pairs $(X_{1},Z)$ and $(X_{2},Z)$: $\displaystyle\langle\tau_{d_{1}}\alpha_{1},\cdots,\tau_{d_{m}}\alpha_{m}\rangle^{X}_{g,A}$ $\displaystyle=$ $\displaystyle\sum_{\mu}{\mathfrak{z}}(\mu)\sum\limits_{i_{1},\cdots,i_{\ell(\mu)}}\sum_{\eta\in\Omega_{\mu}}\langle\tau_{d_{i^{-}_{1}}}j_{1}^{*}\alpha_{i^{-}_{1}}(0),\cdots,\tau_{d_{i^{-}_{k_{1}}}}j_{1}^{*}\alpha_{i^{-}_{k_{1}}}(0)\mid\delta_{i_{1}},\cdots,\delta_{i_{\ell(\mu)}}\rangle^{\bullet X_{1},Z}_{\Gamma_{1}}$ $\displaystyle\,\,\cdot\,\,\langle\tau_{d_{i^{+}_{1}}}j_{2}^{*}\alpha_{i^{+}_{1}}(0),\cdots,\tau_{d_{i^{+}_{k_{2}}}}\alpha_{i^{+}_{k_{2}}}(0)\mid{\delta}^{i_{1}},\cdots,\delta^{i_{\ell(\mu)}}\rangle^{\bullet X_{2},Z}_{\Gamma_{2}},$ where ${\mathfrak{z}}(\mu)=|\mbox{Aut}\mu|\prod\limits_{i=1}^{\ell(\mu)}\mu_{i}$, and $\eta=(\Gamma_{1},\Gamma_{2},I)$ is an admissible triple, which consists of (possibly disconnected) topological types $\Gamma_{1},\Gamma_{2}$ with the same partition $\mu$ under the identification $I$ of relative marked points, satisfying the following requirements: * (1) the gluing of $\Gamma_{1}$ and $\Gamma_{2}$ under $I$ is connected; * (2) let $g_{i}$ be the total genus of $\Gamma_{i}$, and we have $g=g_{1}+g_{2}+\ell(\mu)+1-|\Gamma_{1}|-|\Gamma_{2}|$, where $|\Gamma_{i}|$ is the number of connected components of $\Gamma_{i}$; * (3) let $A_{i}\in H_{2}(X_{i},{\mathbb{Z}})$ be the total degree of $\Gamma_{i}$, and we have $i_{t*}A=i_{0*}(j_{1*}A_{1}+j_{2*}A_{2})$ and $|\mu|=A_{1}\cdot Z=A_{2}\cdot Z$; * (4) the absolute marked points of $\Gamma_{1},\Gamma_{2}$ are indexed by $\\{i_{1}^{-},\cdots,i_{k_{1}}^{-}\\}$ and $\\{i_{1}^{+},\cdots$, $i_{k_{2}}^{+}\\}$ respectively, the disjoint union of which is exactly $\\{1,2,\cdots,m\\}$. We denote by $\Omega_{\mu}$ the equivalence class of all admissible triples with fixed partition $\mu$. For $\eta\in\Omega_{\mu}$ having nonzero contribution in the degeneration formula, we have the following important dimension constraint (Theorem 5.1 in [LR]): (2) $\dim\overline{\mathscr{M}}_{\Gamma_{1}}(X_{1},Z)+\dim\overline{\mathscr{M}}_{\Gamma_{2}}(X_{2},Z)=\dim\overline{\mathscr{M}}_{g,m}(X,A)+4\ell(\mu).$ ###### Remark 2.1. Symplectic cutting is a kind of surgery in symplectic geometry which is suitable for the above degeneration formula (see [LR]). Suppose that $X_{0}\subset X$ is an open codimension zero submanifold with Hamiltonian $S^{1}$-action. Let $H:X_{0}\longrightarrow{\mathbb{R}}$ be a Hamiltonian function with $0$ as a regular value. If $H^{-1}(0)$ is a separating hypersurface of $X_{0}$, then we obtain two connected manifolds $X^{\pm}_{0}$ with boundary $\partial X^{\pm}_{0}=H^{-1}(0)$, where the $+$ side corresponds to $H<0$. Suppose further that $S^{1}$ acts freely on $H^{-1}(0)$. Then the symplectic reduction $Z=H^{-1}(0)/S^{1}$ is canonically a symplectic manifold. Collapsing the $S^{1}$-action on $\partial X^{\pm}=H^{-1}(0)$, we obtain two closed smooth manifolds $\bar{X}^{\pm}$ containing respectively real codimension 2 submanifolds $Z^{\pm}=Z$ with opposite normal bundles. Furthermore $\bar{X}^{\pm}$ admits a symplectic structure $\bar{\omega}^{\pm}$ which agrees with the restriction of $\omega$ away from $Z$, and whose restriction to $Z^{\pm}$ agrees with the canonical symplectic structure $\omega_{Z}$ on $Z$ from symplectic reduction. The pair of symplectic manifolds $(\bar{X}^{\pm},\bar{\omega}^{\pm})$ is called the symplectic cut of $X$ along $H^{-1}(0)$. Suppose that $Y\subset X$ is a submanifold of $X$ of codimension $2k$. Denote by $N_{Y}$ the normal bundle. By the symplectic neighborhood theorem ,and by possibly taking a smaller $\epsilon_{0}$, a tubular neighborhood ${\mathscr{N}}_{\epsilon_{0}}(Y)$ of $Y$ in $X$ is symplectomorphic to the disc bundle $N_{Y}(\epsilon_{0})$ of $N_{Y}$. Denote by $\phi:{\mathscr{N}}_{\epsilon_{0}}(Y)\longrightarrow N_{Y}(\epsilon_{0})$ be such a symplectomorphism. Consider the Hamiltonian $S^{1}$-action on $X_{0}={\mathscr{N}}_{\epsilon_{0}}(Y)$ by complex multiplication. Fix $\epsilon$ with $0<\epsilon<\epsilon_{0}$ and consider the moment map $H(u)=|\phi(u)|^{2}-\epsilon,\,\,\,\,\,u\in{\mathscr{N}}_{Y}(\epsilon_{0}),$ where $|\phi(u)|$ is the norm of $\phi(u)$ considered as a vector in a fiber of the Hermitian bundle $N_{Y}$. We cut $X$ along $H^{-1}(0)$ to obtain two closed symplectic manifolds $\bar{X}^{\pm}$. Notice that $\bar{X}^{+}\cong{\mathbb{P}}_{Y}(N_{Y}\oplus{\mathscr{O}}_{Y})$. $\bar{X}^{-}$ is called the blow-up of $X$ along $Y$, denoted by $\tilde{X}$. ## 3\. Formulae for Blow-up at a point In this section, we prove Theorem 1.1, 1.2 and 1.3. We always assume that total degrees of insertions match the virtual dimension of the moduli spaces, since otherwise the required equalities are trivial. First of all, we will divide the proof of Theorem 1.1 into some comparison theorems of Gromov-Witten invariants as follows. ###### Lemma 3.1. Under the same assumptions as in Theorem 1.1, we have (3) $\displaystyle{\langle[pt],\tau_{d_{1}}\alpha_{1},\cdots,\tau_{d_{m}}\alpha_{m}\rangle}^{X}_{g,A}$ $\displaystyle=$ $\displaystyle\sum_{g^{+}+g^{-}=g}{\langle[pt]|[pt]\rangle}^{\mathbb{P}^{3},H}_{g^{+},L,(1)}{\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}|\mathbbm{1}\rangle}^{\tilde{X},E}_{g^{-},p^{!}A-e,(1)},$ where $H$ is the hyperplane at infinity, and $L\in H_{2}(\mathbb{P}^{3};{\mathbb{Z}})$ is the class of a line. ###### Proof. We first perform the symplectic cutting along a point as in Remark 2.1. Here we have assumed that the class $[pt]$ has support in $X^{+}$ and $\alpha_{i}$ has support in $X^{-}$. By the degeneration formula (2),we have $\displaystyle\langle[pt],\tau_{d_{1}}\alpha_{1},\cdots,\tau_{d_{m}}\alpha_{m}\rangle^{X}_{g,A}$ $\displaystyle=$ $\displaystyle\sum{\mathfrak{z}}(\mu)\langle[pt]|\delta_{j_{1}},\cdots,\delta_{j_{\ell(\mu)}}\rangle^{\mathbb{P}^{3},H}_{g^{+},A^{+},\mu}$ $\displaystyle\cdot\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}|\delta^{j_{1}},\cdots,\delta^{j_{\ell(\mu)}}\rangle^{\tilde{X},E}_{g^{-},A^{-},\mu}.$ By our assumption that total degrees of insertions match the virtual dimension of the moduli space, we have $\dim\bar{\mathscr{M}}_{g,m+1}(X,A)=\sum_{i=1}^{m}\deg\alpha_{i}+2\sum_{i=1}^{m}d_{i}+6.$ Suppose that $(\Gamma^{+},\Gamma^{-})$ has nonzero contribution in the degeneration formula. Then $\displaystyle\dim\bar{\mathscr{M}}_{\Gamma^{+}}(\mathbb{P}^{3},H)$ $\displaystyle=$ $\displaystyle 2\int_{A^{+}}c_{1}({\mathbb{P}}^{3})+2+2\ell(\mu)-2|\mu|,$ $\displaystyle\dim\bar{\mathscr{M}}_{\Gamma^{-}}(\tilde{X},E)$ $\displaystyle=$ $\displaystyle\sum_{i=1}^{m}\deg\alpha_{i}+2\sum_{i=1}^{m}d_{i}+\sum\limits_{i=1}^{\ell(\mu)}\deg\delta^{j_{i}}.$ So by the dimension constraint (2), $\frac{1}{2}\sum\limits_{i=1}^{\ell(\mu)}deg\delta^{j_{i}}+\int_{A^{+}}c_{1}({\mathbb{P}}^{3})-|\mu|=2+\ell(\mu).$ Note that $A^{+}\cdot H=|\mu|$, and hence $A^{+}=|\mu|L$, which implies that $\displaystyle\int_{A^{+}}c_{1}({\mathbb{P}}^{3})=4|\mu|.$ Now the dimension constraint becomes $\displaystyle\frac{1}{2}\sum\limits_{i=1}^{\ell(\mu)}deg\delta^{j_{i}}+3|\mu|=2+\ell(\mu).$ So the dimension constraint holds only if $\displaystyle\mu=(1),\quad deg\delta^{j_{1}}=0,$ which implies the required equality. ∎ ###### Lemma 3.2. Under the same assumptions as in Theorem 1.1, we have $\displaystyle{\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle}^{\tilde{X}}_{g,p^{!}A-e}$ $\displaystyle=$ $\displaystyle\sum_{g^{+}+g^{-}=g}{\langle\,\,|[pt]\rangle}_{g^{+},F,(1)}^{\tilde{\mathbb{P}}^{3},H}$ $\displaystyle\cdot{\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}|\mathbbm{1}\rangle}^{\tilde{X},E}_{g^{-},p^{!}A-e,(1)},$ where $F\in H_{2}(\tilde{\mathbb{P}}^{3},{\mathbb{Z}})$ is the class of a fiber in $\tilde{\mathbb{P}}^{3}\cong{\mathbb{P}}_{{\mathbb{P}}^{2}}(\mathscr{O}\oplus\mathscr{O}(-1))$. ###### Proof. We perform symplectic cutting along $E$ in $\tilde{X}$ as in Remark 2.1. Here we also assumed that the class $p^{*}\alpha_{i}$ has support away from $E$. By the degeneration formula (2), we have $\displaystyle{\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle}^{\tilde{X}}_{g,p^{!}A-e}$ $\displaystyle=$ $\displaystyle\sum{\mathfrak{z}}(\mu){\langle\,\,|\delta_{j_{1}},\cdots,\delta_{j_{\ell(\mu)}}\rangle}_{g^{+},(p!(A)-e)^{+},\nu}^{\tilde{\mathbb{P}}^{3},H}$ $\displaystyle\cdot{\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}|\delta^{j_{1}},\cdots,\delta^{j_{\ell(\mu)}}\rangle}^{\tilde{X},E}_{g^{-},(p^{!}A-e)^{-},\mu}.$ By our assumption that degrees match the virtual dimension, we have $\displaystyle\dim_{\mathbb{C}}\bar{\mathscr{M}}_{g,m}(\tilde{X},p^{!}A-e)$ $\displaystyle=$ $\displaystyle\frac{1}{2}\sum_{i=1}^{m}deg\alpha_{i}+\sum_{i=1}^{m}d_{i}.$ Suppose that a term with $(\Gamma^{+},\Gamma^{-})$ has nonzero contribution in RHS of the degeneration formula (3). Then $\dim_{\mathbb{C}}\bar{\mathscr{M}}_{\Gamma^{+}}(\tilde{\mathbb{P}}^{3},H)=\int_{(p^{!}A-e)^{+}}c_{1}(\tilde{{\mathbb{P}}}^{3})+\ell(\mu)-|\mu|,$ $\dim_{\mathbb{C}}\bar{\mathscr{M}}_{\Gamma^{-}}(\tilde{X},E)=\frac{1}{2}\sum_{i=1}^{m}deg\alpha_{i}+\sum_{i=1}^{m}d_{i}+\frac{1}{2}\sum_{i=1}^{\ell(\mu)}deg\delta^{j_{i}}.$ So by the dimension constraint (2), $\displaystyle\frac{1}{2}\sum\limits_{i=1}^{\ell(\mu)}deg\delta^{j_{i}}+\int_{(p^{!}A-e)^{+}}c_{1}(\tilde{{\mathbb{P}}}^{3})-|\mu|=\ell(\mu).$ Let $L\in H_{2}(\tilde{\mathbb{P}}^{3},{\mathbb{Z}})$ be the class of the total transform of a line in ${\mathbb{P}}^{3}$. Then we have the following natural decomposition $\displaystyle H_{2}(\tilde{\mathbb{P}}^{3},{\mathbb{Z}})={\mathbb{Z}}F\oplus{\mathbb{Z}}L.$ We have the following constraints for $(p^{!}A-e)^{+}$: ${(p!(A)-e)}^{+}\cdot H=|\mu|,\,\,\,\,\,(p^{!}(A)-e)^{+}\cdot E=1.$ So we have $(p^{!}A-e)^{+}=F+(|\mu|-1)L$, and hence $\int_{(p^{!}A-e)^{+}}c_{1}(\tilde{\mathbb{P}}^{3})=4|\mu|-2$. Now the dimension constraint becomes $\displaystyle\frac{1}{2}\sum\limits_{i=1}^{\ell(\mu)}deg\delta^{j_{i}}+3|\mu|=2+\ell(\mu).$ So the dimension constraint holds only if $\displaystyle\mu=(1),\quad deg\delta^{j_{1}}=0,$ which implies the required equality. ∎ Using the above comparison results we may obtain the following absolute/relative correspondence for Gromov-Witten invariants under blow-up. ###### Lemma 3.3. Under the same assumptions as in Theorem 1.1, denote $\langle[pt],\tau_{d_{1}}\alpha_{1},$ $\cdots,\tau_{d_{m}}\alpha_{m}\rangle^{X}_{g,A}$ and $\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g,p^{!}A-e}$ by $H_{g}$ and $P_{g}$ respectively. Then (6) $H_{g}=\sum_{g_{1}+g_{2}=g}C_{g_{1}}P_{g_{2}},$ where $C_{g}$’s can be determined by relative invariants ${\langle[pt]|[pt]\rangle}^{\mathbb{P}^{3},H}_{g,L,(1)}$ and ${\langle\,\,|[pt]\rangle}_{g,F,(1)}^{\tilde{\mathbb{P}}^{3},H}$. ###### Proof. Denote $\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}|\mathbbm{1}\rangle^{\tilde{X},E}_{g,p!(A)-e,(1)}$, ${\langle[pt]|[pt]\rangle}^{\mathbb{P}^{3},H}_{g,L,(1)}$ and ${\langle\,\,|[pt]\rangle}_{g,F,(1)}^{\tilde{\mathbb{P}}^{3},H}$ by $K_{g}$, $I_{g}$ and $J_{g}$ respectively. Then for $g\geq 0$, we may rewrite our comparison results (3) and (3.2) as $\displaystyle H_{g}$ $\displaystyle=$ $\displaystyle I_{g}K_{0}+I_{g-1}K_{1}+\cdots+I_{0}K_{g}$ $\displaystyle P_{g}$ $\displaystyle=$ $\displaystyle J_{g}K_{0}+J_{g-1}K_{1}+\cdots+J_{0}K_{g},$ or in matrix form $\left(\begin{array}[]{l}H_{0}\\\ H_{1}\\\ \vdots\\\ H_{g}\end{array}\right)=\left(\begin{array}[]{llll}I_{0}&&\lx@intercol\hfil 0\hfil\lx@intercol\\\ I_{1}&I_{0}&&\\\ \vdots&&\ddots&\\\ I_{g}&I_{g-1}&\cdots&I_{0}\end{array}\right)\left(\begin{array}[]{l}K_{0}\\\ K_{1}\\\ \vdots\\\ K_{g}\end{array}\right),$ $\left(\begin{array}[]{l}P_{0}\\\ P_{1}\\\ \vdots\\\ P_{g}\end{array}\right)=\left(\begin{array}[]{llll}J_{0}&&\lx@intercol\hfil 0\hfil\lx@intercol\\\ J_{1}&J_{0}&&\\\ \vdots&&\ddots&\\\ J_{g}&J_{g-1}&\cdots&J_{0}\end{array}\right)\left(\begin{array}[]{l}K_{0}\\\ K_{1}\\\ \vdots\\\ K_{g}\end{array}\right).$ This is a special form of absolute/relative correspondence for Gromov-Witten invariants (Theorem 5.15 in [HLR]). In particular, $I_{0}\neq 0$ and $J_{0}\neq 0$, which implies that both matrices with entries $I_{g}$ and $J_{g}$ are invertible (one can also use virtual localization [GP] to check that $I_{0}=J_{0}=1$). Write $\left(\begin{array}[]{llll}C_{0}&&\lx@intercol\hfil 0\hfil\lx@intercol\\\ C_{1}&C_{0}&&\\\ \vdots&&\ddots&\\\ C_{g}&C_{g-1}&\cdots&C_{0}\end{array}\right)=\left(\begin{array}[]{llll}I_{0}&&\lx@intercol\hfil 0\hfil\lx@intercol\\\ I_{1}&I_{0}&&\\\ \vdots&&\ddots&\\\ I_{g}&I_{g-1}&\cdots&I_{0}\end{array}\right)\left(\begin{array}[]{llll}J_{0}&&\lx@intercol\hfil 0\hfil\lx@intercol\\\ J_{1}&J_{0}&&\\\ \vdots&&\ddots&\\\ J_{g}&J_{g-1}&\cdots&J_{0}\end{array}\right)^{-1},$ and we obtain the required equality. ∎ To get Theorem 1.1, we need to compute $C_{g}$’s in (6). A crucial observation from the proof of Lemma 3.3 is that $C_{g}$’s are determined by relative invariants ${\langle[pt]|[pt]\rangle}^{\mathbb{P}^{3},H}_{g,L,(1)}$ and ${\langle\,\,|[pt]\rangle}_{g,F,(1)}^{\tilde{\mathbb{P}}^{3},H}$, and are independent of the choice of $X,m,\alpha_{i},A$. Therefore, to compute these universal coefficients, we may choose $X=\mathbb{P}^{3},m=1,\alpha_{1}=[pt],A=L$. Then (6) becomes (7) $\langle[pt],[pt]\rangle_{g,L}^{\mathbb{P}^{3}}=\sum_{g_{1}+g_{2}=g}C_{g_{1}}\cdot\langle[pt]\rangle_{g_{2},F}^{\tilde{\mathbb{P}}^{3}},$ where $F$ is the class of a fiber in $\tilde{\mathbb{P}}^{3}\cong{\mathbb{P}}_{{\mathbb{P}}^{2}}({\mathscr{O}}\oplus{\mathscr{O}}(-1))$. To get $C_{g}$’s by solving the equation (7), we need to compute the absolute Gromov-Witten invariants $\langle[pt],[pt]\rangle_{g,L}^{\mathbb{P}^{3}}$ and $\langle[pt]\rangle_{g_{2},F}^{\tilde{\mathbb{P}}^{3}}$. From this, we have ###### Lemma 3.4. $\displaystyle\langle[pt],[pt]\rangle_{g,L}^{\mathbb{P}^{3}}$ $\displaystyle=$ $\displaystyle\frac{(-1)^{g}\cdot 2}{(2g+2)!},$ $\displaystyle\langle[pt]\rangle_{g,F}^{\tilde{\mathbb{P}}^{3}}$ $\displaystyle=$ $\displaystyle\delta_{g,0}.$ These equalities can be proved either directly by virtual localization [GP] or by degenerate contribution computation [P2]. In fact, Theorem 3 in [P2] may specialize to the case of ${\mathbb{P}}^{3}$ and obtain these invariants. Here we omit the proof. Proof of Theorem 1.1: We first perform symplectic cutting at a point in $X$ and get equation (3). Then we perform symplectic cutting along the exceptional divisor $E$ in $\tilde{X}$ and get (3.2). Finally, we can solve the equation (7) to get the universal coefficients $C_{g}=\frac{(-1)^{g}\cdot 2}{(2g+2)!}.$ This proves Theorem 1.1. ###### Remark 3.5. One can relax the requirement in Theorem 1.1 to $m\geqslant 0$, which can be checked by going through the proof of Lemma 3.1, 3.2 and 3.3. This also holds for Theorem 1.2 and 1.3. It is illuminating to rephrase this using a genus $g$ gravitational Gromov- Witten generating function. Suppose that $T_{0}=1,T_{1},\cdots,T_{m}$ is a basis for $H^{*}(X,{\mathbb{Q}})$. We introduce supercommuting variables $t_{d}^{j}$ for $d\geq 0$ and $0\leq j\leq m$ with $\deg t^{j}_{d}=\deg T_{j}$. Set $\gamma=\sum_{d=0}^{\infty}\sum_{j=1}^{m}t^{j}_{d}\tau_{d}T_{j}.$ Define the genus $g$ gravitational Gromov-Witten generating function as $F_{g}^{X}(t_{d}^{j})=\sum_{n=0}^{\infty}\sum_{A\in H_{2}(X,{\mathbb{Z}})}\frac{1}{n!}\langle\gamma^{n},[pt]\rangle_{g,A}^{X}q^{A},$ $F_{g}^{\tilde{X}}(t_{d}^{j})=\sum_{n=0}^{\infty}\sum_{A\in H_{2}(X,{\mathbb{Z}})}\frac{1}{n!}\langle(p^{*}\gamma^{n}\rangle_{g,p^{!}(A)-e}^{\tilde{X}}q^{p^{!}(A)-e}.$ Set $F^{X}(u,t_{d}^{j})=\sum_{g\geq 0}u^{2g-2}F_{g}^{X}(t_{d}^{j})$ and $F^{\tilde{X}}(u,t_{d}^{j})=\sum_{g\geq 0}u^{2g-2}F_{g}^{\tilde{X}}(t_{d}^{j}).$ Then from Theorem 1.1, we have ###### Corollary 3.6. $F^{X}(u,\gamma)=\bigg{(}\frac{\sin\frac{u}{2}}{\frac{u}{2}}\bigg{)}^{2}\cdot F^{\tilde{X}}(u,p^{*}\gamma),$ where we need to change the variable $q^{A}$ to $q^{p^{!}(A)-e}$. Similar to the proof of Theorem 1.1 above, we may divide the proof of Theorem 1.2 into the following Lemma 3.7, 3.8 and 3.9, the proof of which is analogous to that of Lemma 3.1, 3.2 and 3.3 respectively. ###### Lemma 3.7. Under the same assumptions as in Theorem 1.1, we have $\displaystyle{\langle\tau_{1}[pt],\tau_{d_{1}}\alpha_{1},\cdots,\tau_{d_{m}}\alpha_{m}\rangle}^{X}_{g,A}$ $\displaystyle=$ $\displaystyle\sum_{g^{+}+g^{-}=g}{\langle\tau_{1}[pt]|\xi\rangle}^{\mathbb{P}^{3},H}_{g^{+},L,(1)}{\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}|\xi\rangle}^{\tilde{X},E}_{g^{-},p^{!}A-e,(1)},$ where $H$ is the hyperplane at infinity, $L$ is the class of a line in ${\mathbb{P}}^{3}$, and $\xi$ is the cohomology class of a line in $H\cong E\cong{\mathbb{P}}^{2}$. ###### Proof. The same argument as in the proof of Lemma 3.1 leads to the dimension constraint $\frac{1}{2}\sum\limits_{i=1}^{\ell(\mu)}\deg\delta^{j_{i}}+3|\mu|=3+\ell(\mu).$ This constraint holds only if $\mu=(1),\,\,\,\,\deg\delta_{j_{1}}=2.$ This implies Lemma 3.7. ∎ ###### Lemma 3.8. Under the same assumptions as in Theorem 1.1, we have $\displaystyle{\langle-E^{2},\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle}^{\tilde{X}}_{g,p^{!}A-e}$ $\displaystyle=$ $\displaystyle\sum_{g^{+}+g^{-}=g}{\langle-E^{2}|\xi\rangle}_{g^{+},F,(1)}^{\tilde{\mathbb{P}}^{3},H}\cdot{\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}|\xi\rangle}^{\tilde{X},E}_{g^{-},p^{!}A-e,(1)},$ where $F\in H_{2}(\tilde{\mathbb{P}}^{3},{\mathbb{Z}})$ is the class of a fiber in $\tilde{\mathbb{P}}^{3}\cong{\mathbb{P}}_{{\mathbb{P}}^{2}}(\mathscr{O}\oplus\mathscr{O}(-1))$, and $\xi$ is the cohomology class of a line in $H\cong E\cong{\mathbb{P}}^{2}$. ###### Proof. The same dimension calculation as in the proof of Lemma 3.1 gives rise to the dimension constraint $\frac{1}{2}\sum\limits_{i=1}^{\ell(\mu)}\deg\delta^{j_{i}}+3|\mu|=3+\ell(\mu).$ This also implies $\mu=(1),\,\,\,\,\deg\delta_{j_{1}}=2,$ which proves Lemma 3.8. ∎ ###### Lemma 3.9. Under the same assumptions as in Theorem 1.1, denote $\langle\tau_{1}[pt],\tau_{d_{1}}\alpha_{1}$, $\cdots,\tau_{d_{m}}\alpha_{m}\rangle^{X}_{g,A}$ and $\langle-E^{2},\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g,p^{!}A-e}$ by $H_{g}$ and $P_{g}$ respectively. Then (8) $H_{g}=\sum_{g_{1}+g_{2}=g}C_{g_{1}}P_{g_{2}},$ where $C_{g}$’s can be determined by relative invariants ${\langle\tau_{1}[pt]|\xi\rangle}^{\mathbb{P}^{3},H}_{g,L,(1)}$ and ${\langle-E^{2}|\xi\rangle}_{g,F,(1)}^{\tilde{\mathbb{P}}^{3},H}$. Here $\xi$ is the cohomology class of a line in $H\cong E\cong{\mathbb{P}}^{2}$. The proof of Lemma 3.9 is identical to that of Lemma 3.3 with Lemma 3.1 and 3.2 replaced by Lemma 3.7 and 3.8 respectively. Proof of Theorem 1.2: Similar to the proof of Theroem 1.1, we only need to compute the universal coefficients $C_{g}$’s in (8). Similarly, we choose $X=\mathbb{P}^{3},m=1,\alpha_{1}=[L],A=L$. Then (8) becomes (9) $\langle\tau_{1}[pt],[L]\rangle_{g,L}^{\mathbb{P}^{3}}=\sum_{g_{1}+g_{2}=g}C_{g_{1}}\cdot\langle-E^{2},[L]\rangle_{g_{2},F}^{\tilde{\mathbb{P}}^{3}}.$ By virtual localization [GP], we have $\langle\tau_{1}[pt],[L]\rangle_{g,L}^{\mathbb{P}^{3}}=\frac{(-1)^{g}}{(2g+1)!},$ $\langle-E^{2},[L]\rangle_{g,F}^{\tilde{\mathbb{P}}^{3}}=\delta_{g,0}.$ We solve (9) to obtain the universal coefficients: $C_{g}=\frac{(-1)^{g}}{(2g+1)!},$ which gives Theorem 1.2. In the rest of this section, we will prove Theorem 1.3. Similar argument to in the proof of Lemma 3.2 and 3, we may prove the following Lemmas. ###### Lemma 3.10. Under the same assumptions as in Theorem 1.1, we have $\displaystyle{\langle\tau_{1}E,\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle}^{\tilde{X}}_{g,p^{!}A-e}$ $\displaystyle=$ $\displaystyle\sum_{g^{+}+g^{-}=g}{\langle\tau_{1}E|\xi\rangle}_{g^{+},F,(1)}^{\tilde{\mathbb{P}}^{3},H}\cdot{\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}|\xi\rangle}^{\tilde{X},E}_{g^{-},p^{!}A-e,(1)},$ where $F\in H_{2}(\tilde{\mathbb{P}}^{3},{\mathbb{Z}})$ is the class of a fiber in $\tilde{\mathbb{P}}^{3}\cong{\mathbb{P}}_{{\mathbb{P}}^{2}}(\mathscr{O}\oplus\mathscr{O}(-1))$, and $\xi$ is the cohomology class of a line in $H\cong E\cong{\mathbb{P}}^{2}$. ###### Lemma 3.11. Under the same assumptions as in Theorem 1.1, denote $\langle\tau_{1}E,\tau_{d_{1}}p^{*}\alpha_{1}$, $\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g,p^{!}A-e}$ and $\langle-E^{2},\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g,p^{!}A-e}$ by $H_{g}$ and $P_{g}$ respectively. Then $H_{g}=\sum_{g_{1}+g_{2}=g}C_{g_{1}}P_{g_{2}},$ where $C_{g}$’s can be determined by relative invariants ${\langle\tau_{1}E|\xi\rangle}_{g,F,(1)}^{\tilde{\mathbb{P}}^{3},H}$ and ${\langle-E^{2}|\xi\rangle}_{g,F,(1)}^{\tilde{\mathbb{P}}^{3},H}$. Here $\xi$ is the cohomology class of a line in $H\cong E\cong{\mathbb{P}}^{2}$. Proof of Theorem 1.3: Similar to the proof of Theorem 1.2, we choose $X=\tilde{\mathbb{P}}^{3},m=1,\alpha_{1}=[L],A=F$ and obtain: $\langle\tau_{1}E,L\rangle_{g,F}^{\tilde{\mathbb{P}}^{3}}=\sum_{g_{1}+g_{2}=g}C_{g_{1}}\cdot\langle-E^{2},L\rangle_{g_{2},F}^{\tilde{\mathbb{P}}^{3}}.$ By virtual localization [GP], we have $\langle\tau_{1}E,L\rangle_{g,F}^{\tilde{\mathbb{P}}^{3}}=\delta_{g,0}\cdot 3-\frac{(-1)^{g}\cdot 2}{(2g+1)!}.$ So $C_{g}=\delta_{g,0}\cdot 3-\frac{(-1)^{g}\cdot 2}{(2g+1)!},$ which gives Theorem 1.3. ## 4\. Formulae for Blow-up along a smooth curve In this section, we give a detailed proof of Theorem 1.4. We always assume that total degrees of insertions match the virtual dimension of the moduli spaces, since otherwise the required equalities are trivial. ###### Lemma 4.1. Under the same assumptions as in Theorem 1.4, we have $\displaystyle\langle[C],\tau_{d_{1}}\alpha_{1},\cdots,\tau_{d_{m}}\alpha_{m}\rangle_{g,A}^{X}$ $\displaystyle=$ $\displaystyle\sum\limits_{g_{1}+g_{2}=g}\langle[C]|[pt]\rangle^{\bar{X}^{+},Z}_{g_{1},F,(1)}\cdot{\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}|\mathbbm{1}\rangle}^{\tilde{X},E}_{g_{2},p^{!}A-e,(1)},$ where $F\in H_{2}(\bar{X}^{+},{\mathbb{Z}})$ is the class of a line in the fiber of $\bar{X}^{+}={\mathbb{P}}_{C}(N_{C}\oplus{\mathscr{O}}_{C})$. ###### Proof. We first perform symplectic cutting along $C$ and assume that the support of $[C]$ is in $X^{+}$ and the support of $\alpha_{i}$ is away from $C$. By the degeneration formula (2), we have: $\displaystyle\langle[C],\tau_{d_{1}}\alpha_{1},\cdots,\tau_{d_{m}}\alpha_{m}\rangle_{g,A}^{X}$ $\displaystyle=$ $\displaystyle\sum\limits\mathfrak{z}(\mu)\langle[C]|\delta_{j_{1}},\cdots,\delta_{j_{\ell(\mu)}}\rangle_{\Gamma_{+}}^{\bullet,\bar{X}^{+},Z}$ $\displaystyle\qquad\cdot\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}|\delta^{j_{1}},\cdots,\delta^{j_{\ell(\mu)}}\rangle_{\Gamma_{-}}^{\bullet,\tilde{X},E}.$ Recall that we have assumed that $\dim\overline{M}_{g,m+1}(X,A)=\sum\limits_{i=1}^{m}deg\alpha_{i}+2\sum\limits_{i=1}^{m}d_{i}+4.$ Assume that A term with $(\Gamma^{+},\Gamma^{-})$ in RHS of (4) has nonzero contribution, and then $\displaystyle\dim\overline{M}_{\Gamma_{+}}(\bar{X}^{+},Z)$ $\displaystyle=$ $\displaystyle 2\int_{A^{+}}c_{1}(X^{+})+2+2\ell(\mu)-2|\mu|,$ $\displaystyle\dim\overline{M}_{\Gamma_{-}}(\tilde{X},E)$ $\displaystyle=$ $\displaystyle\sum\limits_{i=1}^{m}deg\alpha_{i}+2\sum\limits_{i=1}^{m}d_{i}+\sum\limits_{i=1}^{\ell(\mu)}deg\delta^{j_{i}}.$ So by the dimension constraint (2) for the degeneration formula, we have $\displaystyle\frac{1}{2}\sum\limits_{i=1}^{\ell(\mu)}deg\delta^{j_{i}}+\int_{A^{+}}c_{1}(X^{+})-|\mu|=1+\ell(\mu).$ Let $\xi^{+}$ be the tautological line bundle of $\bar{X}^{+}={\mathbb{P}}_{C}(N_{C}\oplus{\mathscr{O}}_{C})$, and we have $\displaystyle c_{1}(\bar{X}^{+})=\pi^{*}c_{1}(X)|_{C}-3c_{1}(\xi^{+}),$ where $\pi:\bar{X}^{+}\rightarrow C$ is the natural projection. Note that $-c_{1}(\xi^{+})$ is the Poincaré dual of the divisor $Z$ in $\bar{X}^{+}$. Since $|\mu|=A^{+}\cdot Z$, it follows that $\displaystyle\int_{A^{+}}c_{1}(\bar{X}^{+})=\int_{\pi_{*}A^{+}}c_{1}(X)|_{C}+3|\mu|.$ Therefore, dimension constraint becomes $\displaystyle\frac{1}{2}\sum\limits_{i=1}^{\ell(\mu)}deg\delta^{j_{i}}+\int_{\pi_{*}A^{+}}c_{1}(X)|_{C}+2|\mu|=1+\ell(\mu).$ Since $m\geqslant 1$, it follows that $\mu\neq\emptyset$ by the connectedness of the stable maps to $X$, and the dimension constraint holds only if $\displaystyle\mu=(1),\quad\textrm{deg}\delta^{j_{1}}=0,\quad\int_{\pi_{*}A^{+}}c_{1}(X)|_{C}=0,$ which implies Lemma 4.1. ∎ ###### Lemma 4.2. Under the same assumptions as in Theorem 1.4, we have $\displaystyle\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle_{g,p^{!}A-e}^{\tilde{X}}$ $\displaystyle=$ $\displaystyle\sum\limits_{g_{1}+g_{2}=g}\langle|[pt]\rangle^{\bar{\tilde{X}}^{+},Z}_{g_{1},F,(1)}{\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}|\mathbbm{1}\rangle}^{\tilde{X},E}_{g_{2},p^{!}A-e,(1)},$ where $F\in H_{2}(\tilde{X}^{+},{\mathbb{Z}})$ is the class of a line in the fiber of $\bar{\tilde{X}}^{+}={\mathbb{P}}_{E}(N_{E}\oplus{\mathscr{O}}_{E})$. ###### Proof. We first degenerate $\tilde{X}$ along $E$, and assume that the support of $p^{*}\alpha_{i}$ is away from $E$. By the degeneration formula (2), we have $\displaystyle{\langle E,\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle}^{\tilde{X}}_{g,p^{!}A-e}$ $\displaystyle=$ $\displaystyle\sum\limits\mathfrak{z}(\mu)\langle E|\delta_{j_{1}},\cdots,\delta_{j_{\ell(\mu)}}\rangle_{\Gamma_{+}}^{\bullet,\bar{\tilde{X}}^{+},Z}$ $\displaystyle\qquad\cdot\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}|\delta^{j_{1}},\cdots,\delta^{j_{\ell(\mu)}}\rangle_{\Gamma_{-}}^{\bullet,\tilde{X},E}.$ Recall that we have assumed that $\dim\overline{M}_{g,m+1}(\tilde{X},p^{!}A-e)=\sum\limits_{i=1}^{m}deg\alpha_{i}+2\sum\limits_{i=1}^{m}d_{i}+2.$ Assume that a term with $(\Gamma^{+},\Gamma^{-})$ in RHS of (4) has nonzero contribution. Then $\displaystyle\dim\overline{M}_{\Gamma_{+}}(\bar{\tilde{X}}^{+},Z)$ $\displaystyle=$ $\displaystyle 2\int_{(p^{!}A-e)^{+}}c_{1}(\bar{\tilde{X}}^{+})+2+2\ell(\mu)-2|\mu|,$ $\displaystyle\dim\overline{M}_{\Gamma_{-}}(\tilde{X},E)$ $\displaystyle=$ $\displaystyle\sum\limits_{i=1}^{m}deg\alpha_{i}+2\sum\limits_{i=1}^{m}d_{i}+\sum\limits_{i=1}^{\ell(\mu)}deg\delta^{j_{i}}.$ So by the dimension constraint (2) for the degeneration formula, we have $\displaystyle\frac{1}{2}\sum\limits_{i=1}^{\ell(\mu)}\textrm{deg}\delta^{j_{i}}+\int_{(p^{!}A-e)^{+}}c_{1}(\tilde{X}^{+})-|\mu|=\ell(\mu).$ Let $\xi^{+}$ be the tautological line bundle of $\bar{\tilde{X}}^{+}={\mathbb{P}}_{E}(N_{E}\oplus{\mathscr{O}}_{E})$. Then Euler exact sequence gives $\displaystyle c_{1}(\bar{\tilde{X}}^{+})=\pi^{*}c_{1}(E)+\pi^{*}c_{1}(N_{E})-2c_{1}(\xi^{+}),$ where $\pi:\bar{\tilde{X}}^{+}\rightarrow E$ is the natural projection. Note that $N_{E}$ is the tautological line bundle of $E\cong{\mathbb{P}}_{C}(N_{C})$, and so $\displaystyle c_{1}(E)=\pi_{E}^{*}c_{1}(X)|_{C}-2c_{1}(N_{E}),$ where $\pi_{E}:E\rightarrow C$ is the natural projection. Therefore, $\displaystyle c_{1}(\bar{\tilde{X}}^{+})=(\pi_{E}\circ\pi)^{*}c_{1}(X)|_{C}-\pi^{*}c_{1}(N_{E})-2c_{1}(\xi^{+}).$ Note that we have the following natural decomposition $\displaystyle H_{2}(\bar{\tilde{X}}^{+},{\mathbb{Z}})\cong{\mathbb{Z}}F\oplus H_{2}(E,{\mathbb{Z}}),$ and we can write $\displaystyle(p^{!}A-e)^{+}=aF+\pi_{*}(p^{!}A-e)^{+},\textrm{ for some }a\in{\mathbb{Z}}_{\geqslant 0}.$ We have the following constraints for $(p^{!}A-e)^{+}$: $\displaystyle\left\\{\begin{array}[]{ccl}(p^{!}A-e)^{+}\cdot Z&=&|\mu|,\\\ (p^{!}A-e)^{+}\cdot E&=&(p^{!}A-e)\cdot E=1,\end{array}\right.$ and this gives $\displaystyle\pi_{*}(p^{!}A-e)^{+}\cdot E=-(|\mu|-1).$ Note that $-c_{1}(\xi^{+})$ is the Poincaré dual of the divisor $Z$ in $\bar{\tilde{X}}^{+}$, and therefore $\displaystyle\int_{(p^{!}A-e)^{+}}c_{1}(\bar{\tilde{X}}^{+})=\int_{(\pi_{E}\circ\pi)_{*}(p^{!}A-e)^{+}}c_{1}(X)|_{C}+3|\mu|-1.$ Hence the dimension constraint becomes $\displaystyle\frac{1}{2}\sum\limits_{i=1}^{\ell(\mu)}deg\delta^{j_{i}}+\int_{(\pi_{E}\circ\pi)_{*}(p^{!}A-e)^{+}}c_{1}(X)|_{C}+2|\mu|=1+\ell(\mu).$ Since $m\geqslant 1$, it follows that $\mu\neq\emptyset$ by the connectedness of the stable maps to $\tilde{X}$. So the dimension constraint holds only if $\displaystyle\mu=(1),\quad deg\delta^{j_{1}}=0,\quad\int_{(\pi_{E}\circ\pi)_{*}(p^{!}A-e)^{+}}c_{1}(X)|_{C}=0,$ which implies Lemma 4.2. ∎ Using the above comparison results, the same argument as in the proof of Lemma 3.3 shows that the following lemma holds. ###### Lemma 4.3. Under the same assumptions as in Theorem 1.4, denote $\langle[C],\tau_{d_{1}}\alpha_{1},\cdots$ , $\tau_{d_{m}}\alpha_{m}\rangle^{X}_{g,A}$ and $\langle\tau_{d_{1}}p^{*}\alpha_{1},\cdots,\tau_{d_{m}}p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g,p^{!}A-e}$ by $H_{g}$ and $P_{g}$ respectively. Then (13) $H_{g}=\sum_{g_{1}+g_{2}=g}C_{g_{1}}P_{g_{2}},$ where $C_{g}$’s can be determined by relative invariants ${\langle[C]|[pt]\rangle}^{\bar{X}^{+},Z}_{g,F,(1)}$ and ${\langle|[pt]\rangle}_{g,F,(1)}^{\bar{\tilde{X}}^{+},Z}$. Similar to Theorem 1.1, we only need to determine the universal coefficients $C_{g}$’s in (13). For this, we choose $X={\mathbb{P}}_{C}(N_{C}\oplus{\mathscr{O}}_{C}),m=1,\alpha_{1}=[pt],A=F$ and rewrite (13) as follows (14) $\langle[C],[pt]\rangle_{g,F}^{{\mathbb{P}}_{C}(N_{C}\oplus{\mathscr{O}}_{C})}=\sum_{g_{1}+g_{2}=g}C_{g_{1}}\cdot\langle[pt]\rangle_{g_{2},F}^{{\mathbb{P}}_{E}(N_{E}\oplus{\mathscr{O}}_{E})}.$ About the two absolute invariants in (14), we have ###### Lemma 4.4. $\displaystyle\langle[C],[pt]\rangle_{g,F}^{{\mathbb{P}}_{C}(N_{C}\oplus{\mathscr{O}}_{C})}$ $\displaystyle=$ $\displaystyle\frac{(-1)^{g}}{(2g+1)!\cdot 2^{2g}},$ $\displaystyle\langle[pt]\rangle_{g,F}^{{\mathbb{P}}_{E}(N_{E}\oplus{\mathscr{O}}_{E})}$ $\displaystyle=$ $\displaystyle\delta_{g,0}.$ ###### Proof. In the first equality, let $C={\mathbb{P}}_{C}(\\{0\\}\oplus{\mathscr{O}}_{C})$ and $P_{0}\in{\mathbb{P}}_{C}(N_{C}\oplus\\{0\\})$ be the Poincaré duals of $[C]$ and $[pt]$ respectively. There is a unique connected smooth embedded curve with homology class $F$ passing through $C$ and $P_{0}$, which is the line, in the fiber containing $P_{0}$, passing through $P_{0}$ and the intersection of $C$ and the fiber. Now LHS is equal to the degenerate contribution of the line. So Theorem 1.5 in [Z] can be specialized to the first equality. The proof of the second equality is similar. ∎ ###### Remark 4.5. Theorem 1.5 in [Z] is the symplectic version of degenerate contribution computation for Fano case in [P1]. Proof of Theorem 1.4: Using Lemma 4.4 and solving the equaiton (14), we obtain the universal coefficients $C_{g}=\frac{(-1)^{g}}{(2g+1)!\cdot 2^{2g}}$, which gives Theorem 1.4. ###### Remark 4.6. If $\int_{A}c_{1}(X)>1$, then we can relax the condition $m>0$ to $m\geqslant 0$. One can check this by going through the proof of Lemma 4.1 and 4.2. ## 5\. Generalized BPS numbers Gromov-Witten invariants are only rational numbers in general, and hidden integrality for these invariants of projective $3$-folds has been studied since the very beginning of Gromov-Witten theory. For example, the mathematically non-rigorous computation of genus zero invariants of quintic $3$-folds [COGP] inspired the famous multiple covering formula [AM]. Based on M-theory consideration, Gopakumar and Vafa [GV1, GV2] conjectured that countings of BPS states give hidden integrality for Gromov-Witten invariants of Calabi-Yau $3$-folds in all genera, which are multiplicities of certain representations of $SL(2)$ in the cohomology of moduli space of sheaves. Based on degenerate contribution computation, Pandharipande [P1, P2] generalized the working definition of BPS numbers to arbitrary $3$-folds, and he also conjectured that these generalized BPS numbers are integers which are counts of curves satisfying incidence conditions given by insertions. Let us review the definition of generalized BPS numbers and Pandharipande’s conjecture. Let $X$ be a connected closed symplectic manifold of real dimension $6$ and $A\in H_{2}(X,{\mathbb{Z}})$ a nonzero class. Note that by dimension consideration, $A$ carries nonzero Gromov-Witten invariants only if $\int_{A}c_{1}(X)\geqslant 0$. Suppose that $\alpha_{1},\cdots,\alpha_{m}\in H^{>2}(X,{\mathbb{Q}})$. When $\int_{A}c_{1}(X)>0$, the generalized BPS number $n_{g,A}^{X}(\alpha_{1},\cdots,\alpha_{m})$ (at least one insertion) is given by $\displaystyle\sum\limits_{g=0}^{\infty}u^{2g}\langle\alpha_{1},\cdots,\alpha_{m}\rangle_{g,A}^{X}=\sum\limits_{g=0}^{\infty}u^{2g}n_{g,A}^{X}(\alpha_{1},\cdots,\alpha_{m})\cdot(\frac{\sin\frac{u}{2}}{\frac{u}{2}})^{2g-2+\int_{A}c_{1}(X)},$ and when $\int_{A}c_{1}(X)=0$, then generalized BPS number $n_{g,A}^{X}$ (no insertion) is given by $\displaystyle\sum\limits_{g=0}^{\infty}u^{2g}\langle\rangle_{g,A}^{X}=\sum\limits_{g=0}^{\infty}u^{2g}n_{g,A}^{X}\cdot\sum\limits_{\begin{subarray}{c}d\in{\mathbb{Z}}_{>0}\\\ \frac{A}{d}\in H_{2}(X,{\mathbb{Z}})\end{subarray}}\frac{1}{d}(\frac{\sin\frac{du}{2}}{\frac{u}{2}})^{2g-2}.$ In general, the generalized BPS numbers are defined to satisfy the divisor equation and defined to vanish if degree $0$ and $1$ classes are inserted. So these invariants can be extended to include all cohomology classes. If $X$ is a projective $3$-fold, and $\alpha_{i}$ is the Poincaré dual of a subvariety $X_{i}\subset X$ in general position, then Pandharipande conjectured that $n_{g,A}^{X}(\alpha_{1},\cdots,\alpha_{m})$ is the number of irreducible embedded curves in $X$ of geometric genus $g$, with homology class $A$ and intersecting all $X_{i}$’s. An important corollary of this conjecture is the integrality of generalized BPS numbers, which was proved by Zinger in the Fano case [Z], and by Ionel and Parker in the Calabi-Yau case [IP3]. Proof of Proposition 1.5: We first prove Part (a) in Proposition 1.5. From Corollary 3.6, we have $\displaystyle\sum_{g=0}^{\infty}u^{2g-2}\langle[pt],\alpha_{1},\cdots,\alpha_{m}\rangle^{X}_{g,A}=(\frac{\sin(u/2)}{u/2})^{2}\sum_{g=0}^{\infty}u^{2g-2}\langle p^{*}\alpha_{1},\cdots,p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g,p^{!}A-e}.$ Now by the definition of generalized BPS numbers, we have $\displaystyle\sum_{g\geq 0}u^{2g-2}n^{X}_{g,A}([pt],\alpha_{1},\cdots,\alpha_{m})(\frac{\sin(u/2)}{u/2})^{2g-2+\int_{A}c_{1}(X)}$ $\displaystyle=$ $\displaystyle\sum_{g=0}^{\infty}u^{2g-2}\langle[pt],\alpha_{1},\cdots,\alpha_{m}\rangle^{X}_{g,A}$ $\displaystyle=$ $\displaystyle(\frac{\sin(u/2)}{u/2})^{2}\sum_{g=0}^{\infty}u^{2g-2}\langle p^{*}\alpha_{1},\cdots,p^{*}\alpha_{m}\rangle^{\tilde{X}}_{g,p^{!}A-e}$ $\displaystyle=$ $\displaystyle(\frac{\sin(u/2)}{u/2})^{2}\sum_{g=0}^{\infty}u^{2g-2}n^{\tilde{X}}_{g,p^{!}A-e}(p^{*}\alpha_{1},\cdots,p^{*}\alpha_{m})(\frac{\sin(u/2)}{u/2})^{2g-2+\int_{p^{!}A-e}c_{1}(\tilde{X})}$ $\displaystyle=$ $\displaystyle\sum_{g=0}^{\infty}u^{2g-2}n^{\tilde{X}}_{g,p^{!}A-e}(p^{*}\alpha_{1},\cdots,p^{*}\alpha_{m})(\frac{\sin(u/2)}{u/2})^{2g-2+\int_{A}c_{1}(X)}.$ This gives Part (a) of Corollary 1.5. The proof of Part (b) is analogous. ###### Remark 5.1. In the proof above, we only consider the case $m\geqslant 1$. The case $m=0$ can be treated similarly. Acknowledgements. The authors would like to thank Prof. Pandharipande for pointing out his early results about the degenerate contributions to us. We would also like to thank Prof. Yongbin Ruan and Pedro Acosta for their useful comments on earlier drafts. Huazhong would like to thank Prof. Jian Zhou for sharing his ideas on Gromov-Witten theory generously, and Xiaowen Hu and Hanxiong Zhang for helpful discussions. Weiqiang and Huazhong would like to thank Department of Mathematics of University of Michigan for its hospitality during their visiting. ## References * [AM] Aspinwall, P. S., Morrison, D. R., Topological field theory and rational curves, Comm. Math. Phys. 151 (1993), no. 2, 245-262. * [B] Behrend, K., Gromov-Witten invariants in algebraic geometry, Invent. Math. 127(1997), 601-617. * [C] Clemens, C. 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arxiv-papers
2014-02-18T03:53:13
2024-09-04T02:49:58.345540
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Weiqiang He, Jianxun Hu, Hua-Zhong Ke, Xiaoxia Qi", "submitter": "Jianxun Hu", "url": "https://arxiv.org/abs/1402.4221" }
1402.4252
# A Finite-Volume Method for Nonlinear Nonlocal Equations with a Gradient Flow Structure José A. Carrillo, Alina Chertock, and Yanghong Huang Department of Mathematics, Imperial College London, London SW7 2AZ, UK; [email protected] of Mathematics, North Carolina State University, Raleigh, NC 27695, USA; [email protected] of Mathematics, Imperial College London, London SW7 2AZ, UK; [email protected] ###### Abstract We propose a positivity preserving entropy decreasing finite volume scheme for nonlinear nonlocal equations with a gradient flow structure. These properties allow for accurate computations of stationary states and long-time asymptotics demonstrated by suitably chosen test cases in which these features of the scheme are essential. The proposed scheme is able to cope with non-smooth stationary states, different time scales including metastability, as well as concentrations and self-similar behavior induced by singular nonlocal kernels. We use the scheme to explore properties of these equations beyond their present theoretical knowledge. ## 1 Introduction In this paper, we consider a finite-volume method for the following problem: $\left\\{\begin{aligned} &\rho_{t}=\nabla\cdot\big{[}\rho\nabla\big{(}H^{\prime}(\rho)+V(\mathbf{x})+W\ast\rho\big{)}\big{]},\quad\mathbf{x}\in\mathbb{R}^{d},\ t>0,\\\ &\rho(\mathbf{x},0)=\rho_{0}(\mathbf{x}),\end{aligned}\right.$ (1.1) where $\rho(\mathbf{x},t)\geq 0$ is the unknown probability measure, $W(\mathbf{x})$ is an interaction potential, which is assumed to be symmetric, $H(\rho)$ is a density of internal energy, and $V(\mathbf{x})$ is a confinement potential. Equations such as (1.1) appear in various contexts. If $W$ and $V$ vanishes, and $H(\rho)=\rho\log\rho-\rho$ or $H(\rho)=\rho^{m}$, it is the classical heat equation or porous medium/fast diffusion equation [38]. If mass- conserving, self-similar solutions of these equations are sought, the quadratic term $V(\mathbf{x})=|\mathbf{x}|^{2}$ is added, leading to new equations in similarity variables. More generally, $V$ usually appears as a confining potential in Fokker-Planck type equations [19, 31]. Finally, $W$ is related to the interaction energy, and can be as singular as the Newtonian potential in chemotaxis system [25] or as smooth as $W(\mathbf{x})=|\mathbf{x}|^{\alpha}$ with $\alpha>2$ in granular flow [4]. The free energy associated to equation (1.1) is given by (see [17, 18, 40]): $E(\rho)=\int_{\mathbb{R}^{d}}H(\rho)\,d\mathbf{x}+\int_{\mathbb{R}^{d}}V(\mathbf{x})\rho(\mathbf{x})\,d\mathbf{x}+\frac{1}{2}\int_{\mathbb{R}^{d}}\int_{\mathbb{R}^{d}}W(\mathbf{x}-\mathbf{y})\rho(\mathbf{x})\rho(\mathbf{y})\,d\mathbf{x}\,d\mathbf{y}\,.$ (1.2) This energy functional is the sum of internal energy, potential energy and interaction energy, corresponding to the three terms on the right-hand side of (1.2), respectively. A simple computation shows that, at least for classical solutions, the time-derivative of $E(\rho)$ along solutions of (1.1) is $\frac{d}{dt}E(\rho)=-\int_{\mathbb{R}^{d}}\rho|\mathbf{u}|^{2}\,d\mathbf{x}:=-I(\rho),$ (1.3) where $\mathbf{u}=-\nabla\xi,\quad\xi:=\frac{\delta E}{\delta\rho}=H^{\prime}(\rho)+V(\mathbf{x})+W\ast\rho.$ (1.4) The functional $I$ will henceforth be referred to as the entropy dissipation functional. The equation (1.1) and its associated energy $E(\rho)$ are the subjects of intensive study during the past fifteen years, see e.g. [29, 1, 40, 17] and the references therein. The general properties of (1.1) are investigated in the context of interacting gases [29, 40, 17], and are common to a wide variety of models, including granular flows [4, 3, 36, 27], porous medium flows [19, 31], and collective behavior in biology [35]. The gradient flow structure, in the sense of (1.3), is generalized from smooth solutions to measure-valued solutions [1]. Certain entropy-entropy dissipation inequalities between $E(\rho)$ and $I(\rho)$ are also recognized to characterize the fine details of the convergence to steady states [19, 31, 17]. The steady state of (1.1), if it exists, usually verifies the form $\xi=H^{\prime}(\rho)+V(\mathbf{x})+W\ast\rho=C,\quad\mbox{on supp }\rho,$ (1.5) where the constant $C$ could be different on different connected components of $\mbox{supp }\rho$. In many cases, especially in the presence of the interaction potential $W$, there are multiple steady states, whose explicit forms are available only for particular $W$. Most of studies of these steady states are based on certain assumptions on the support and the characterizing equation (1.5). In this work, we propose a positivity preserving finite-volume method to treat the general nonlocal nonlinear PDE (1.1). Moreover, we show the existence of a discrete free energy that is dissipated for the semi-discrete scheme (discrete in space only). A related method was already proposed in [5] for the case of nonlinear degenerate diffusions in any dimension. We generalize this method to cover the nonlocal terms for both 1D and 2D cases in Section 2. In fact, the first order scheme generalizes easily to cover unstructured meshes. However, it is an open problem how to obtain entropy decreasing higher order schemes in this setting in 2D. Let us remark that other numerical methods based on finite element approximations have been proposed in the literature which are positivity preserving and entropy decreasing at the expense of constructing them by an implicit discretization in time but continuous in space, see [9]. Section 3 is devoted to numerical experiments, in which the performance of the developed numerical approach is tested. In Section 3.1, we conduct the convergence study of stationary states, where the order of accuracy depends on the regularity at free boundaries. We then showcase the performance of this method for finding stable stationary states with nonlocal terms and their equilibration rate in time for different nonlocal models. In Section 3.2, we emphasize how this method is useful to explore different open problems in the analysis of these nonlocal nonlinear models such as the Keller-Segel model for chemotaxis in its different versions. We continue in Section 3.3 with aggregation equations with repulsive-attractive kernels and address the issue of singular kernels and discontinuous steady states. Finally, in Section 3.4, we demonstrate the performance of the scheme in a number of 2-D experiments showcasing numerical difficulties and interesting asymptotics. ## 2 Numerical Method In this section, we describe both one- (1-D) and two-dimensional (2-D) finite- volume schemes for (1.1) and prove their positivity preserving and entropy dissipation properties. We also establish error estimates and convergence results for the proposed methods. We start in §2.1 with the 1-D case and then generalize it to the 2-D case in §2.2, both on uniform meshes. The extension to higher dimensions and non-uniform structured meshes is straightforward. ### 2.1 One-Dimensional Case We begin with the derivation of the 1-D second-order finite-volume method for equation (1.1). For simplicity, we divide the computational domain into finite-volume cells $C_{j}=[x_{j-\frac{1}{2}},x_{j+\frac{1}{2}}]$ of a uniform size $\Delta x$ with $x_{j}=j\Delta x$, $j\in\\{-M,\cdots,M\\}$, and denote by $\overline{\rho}_{j}(t)=\frac{1}{\Delta x}\int_{C_{j}}\rho(x,t)\,dx,$ the computed cell averages of the solution $\rho$, which we assume to be known or approximated at time $t\geq 0$. A semi-discrete finite-volume scheme is obtained by integrating equation (1.1) over each cell $C_{j}$ and is given by the following system of ODEs for $\overline{\rho}_{j}$: $\frac{d\overline{\rho}_{j}(t)}{dt}=-\frac{F_{j+\frac{1}{2}}(t)-F_{j-\frac{1}{2}}(t)}{\Delta x},$ (2.1) where the numerical flux $F_{j+\frac{1}{2}}$ approximate the continuous flux $-\rho\xi_{x}=-\rho(H^{\prime}(\rho)+V(x)+W\ast\rho)_{x}$ at cell interface $x_{j+\frac{1}{2}}$ and is constructed next. For simplicity, we will omit the dependence of the computed quantities on $t\geq 0$ in the rest. As in the case of degenerate diffusion equations treated in [5], we use the upwind numerical fluxes. To this end, we first construct piecewise linear polynomials in each cell $C_{j}$, $\widetilde{\rho}_{j}(x)=\overline{\rho}_{j}+(\rho_{x})_{j}(x-x_{j}),\quad x\in C_{j},$ (2.2) and compute the right (“east”), $\rho_{j}^{\rm E}$, and left (“west”), $\rho_{j}^{\rm W}$, point values at the cell interfaces $x_{j-\frac{1}{2}}$ and $x_{j+\frac{1}{2}}$, respectively: $\displaystyle\rho_{j}^{\rm E}=\widetilde{\rho}_{j}(x_{j+\frac{1}{2}}-0)=\overline{\rho}_{j}+\frac{\Delta x}{2}(\rho_{x})_{j},$ (2.3) $\displaystyle\rho_{j}^{\rm W}=\widetilde{\rho}_{j}(x_{j-\frac{1}{2}}+0)=\overline{\rho}_{j}-\frac{\Delta x}{2}(\rho_{x})_{j}.$ These values will be second-order accurate provided the numerical derivatives $(\rho_{x})_{j}$ are at least first-order accurate approximations of $\rho_{x}(x,\cdot)$. To ensure that the point values (2.3) are both second- order and nonnegative, the slopes $(\rho_{x})_{j}$ in (2.2) are calculated according to the following adaptive procedure. First, the centered-difference approximations $(\rho_{x})_{j}=(\overline{\rho}_{j+1}-\overline{\rho}_{j-1})/(2\Delta x)$ is used for all $j$. Then, if the reconstructed point values in some cell $C_{j}$ become negative (i.e., either $\rho_{j}^{\rm E}<0$ or $\rho_{j}^{\rm W}<0$), we recalculate the corresponding slope $(\rho_{x})_{j}$ using a slope limiter, which guarantees that the reconstructed point values are nonnegative as long as the cell averages $\overline{\rho}_{j}$ are nonnegative. In our numerical experiments, we have used a generalized minmod limiter [28, 30, 34, 37]: $(\rho_{x})_{j}={\rm minmod}\Big{(}\theta\,\frac{\overline{\rho}_{j+1}-\overline{\rho}_{j}}{\Delta x},\,\frac{\overline{\rho}_{j+1}-\overline{\rho}_{j-1}}{2\Delta x},\,\theta\,\frac{\overline{\rho}_{j}-\overline{\rho}_{j-1}}{\Delta x}\Big{)},$ where ${\rm minmod}(z_{1},z_{2},\ldots):=\left\\{\begin{array}[]{ll}\min(z_{1},z_{2},\ldots),&\mbox{if}~{}z_{i}>0\quad\forall\ i,\\\ \max(z_{1},z_{2},\ldots),&\mbox{if}~{}z_{i}<0\quad\forall\ i,\\\ 0,&~{}\mbox{otherwise},\end{array}\right.$ and the parameter $\theta$ can be used to control the amount of numerical viscosity present in the resulting scheme. In all the numerical examples below, $\theta=2$ is used. Equipped with the piecewise linear reconstruction $\widetilde{\rho}_{j}(x)$ and point values $\rho_{j}^{\rm E},\ \rho_{j}^{\rm W}$, the upwind fluxes in (2.1) are computed as $F_{j+\frac{1}{2}}=u_{j+\frac{1}{2}}^{+}\rho_{j}^{\rm E}+u_{j+\frac{1}{2}}^{-}\rho_{j+1}^{\rm W},$ (2.4) where the discrete values $u_{j+\frac{1}{2}}$ of the velocities are obtained using the centered-difference approach, $u_{j+\frac{1}{2}}=-\frac{\xi_{j+1}-\xi_{j}}{\Delta x},$ (2.5) and the positive and negative parts of $u_{j+\frac{1}{2}}$ are denoted by $u_{j+\frac{1}{2}}^{+}=\max(u_{j+\frac{1}{2}},0),\qquad u_{j+\frac{1}{2}}^{-}=\min(u_{j+\frac{1}{2}},0).$ (2.6) The discrete velocity field $\xi_{j}$ is calculated by discretizing (1.4): $\xi_{j}=\Delta x\sum\limits_{i}W_{j-i}\overline{\rho}_{i}+H^{\prime}(\overline{\rho}_{j})+V_{j},$ (2.7) where $W_{j-i}=W(x_{j}-x_{i})$ and $V_{j}=V(x_{j})$. The formula (2.7) is a second-order approximation of $\sum\limits_{i}\int_{C_{i}}W(x_{j}-s)\widetilde{\rho}_{i}(s)\,ds+H^{\prime}(\widetilde{\rho}_{j}(x_{j}))+V(x_{j}).$ Indeed, the reconstruction (2.2) yields $H^{\prime}(\widetilde{\rho}_{j}(x_{j}))=H^{\prime}(\overline{\rho}_{j})$ and $\displaystyle\sum\limits_{i}\int_{C_{i}}W(x_{j}-s)\widetilde{\rho}_{i}(s)\,ds$ $\displaystyle=\sum\limits_{i}\overline{\rho}_{i}\int_{C_{i}}W(x_{j}-s)\,ds+\sum\limits_{i}(\rho_{x})_{i}\int_{C_{i}}W(x_{j}-s)(s-x_{i})\,ds$ (2.8) $\displaystyle=\Delta x\sum\limits_{i}W_{j-i}\overline{\rho}_{i}+\mathcal{O}(\Delta x^{2}),$ (2.9) Here $W_{j-i}$ can be any approximation of the local integral $\frac{1}{\Delta x}\int_{C_{i}}W(x_{j}-s)ds$ with error $O(\Delta x^{2})$. If $W$ has a bounded second order derivative near $x_{j-i}$, $W_{j-i}$ can be chosen to be $W(x_{j-i})$ (the middle point rule) or $\big{(}W(x_{j-i-1/2})+W(x_{j-i+1/2})\big{)}/2$ (the trapezoidal rule). The integral $\int_{C_{i}}W(x_{j}-s)(s-x_{i})\,ds$ in the second summation is of $O(\Delta x^{3})$ because of the anti-symmetric factor $s-x_{i}$, leading to overall error $O(\Delta x^{2})$. The case with non-smooth or singular interaction potential $W$ has to be treated more carefully. First, the last integral $\int_{C_{i}}W(x_{j}-s)(s-x_{i})\,ds$ in the above formula vanishes as soon as $i=j$ due to the symmetry of $W$ independently of any possible singularity at $x=x_{j}$. If $W$ has a locally integrable singularity (usually at the origin), $\frac{1}{\Delta x}\int_{C_{i}}W(x_{j}-s)ds$ can still be approximated by a higher order quadrature scheme with an error $O(\Delta x^{2})$ or smaller. Actually, in the particular case of powers or logarithm kernels, it can be explicitly computed. However, the second sum above may have a slightly larger error. For instance, if $W(x)\sim|x|^{-\alpha}$ for $0<\alpha<1$, then $\int_{C_{i}}W(x_{j}-s)(s-x_{i})\,ds\sim O(\Delta x^{2-\alpha})$ by direct computation when $|i-j|$ is close to zero. Finally, the semi-discrete scheme (2.1) is a system of ODEs, which has to be integrated numerically using a stable and accurate ODE solver. In all numerical examples reported in next section, the third-order strong preserving Runge-Kutta (SSP-RK) ODE solver [24] is used. ###### Remark 2.1. The computational bottleneck is the discrete convolution in (2.7). This is a classical problem in scientific computing that can be effectively evaluated using fast convolution algorithms, mainly based Fast Fourier Transforms [41]. ###### Remark 2.2. The second-order finite-volume scheme (2.1), (2.4)–(2.7), reduces to the first-order one if the piecewise constant reconstruction is used instead of (2.2), in which case one has $\widetilde{\rho}_{j}(x)=\overline{\rho}_{j},\quad x_{j}\in C_{j},\quad\mbox{and therefore}\quad\rho_{j}^{\rm E}=\rho_{j}^{\rm W}=\overline{\rho}_{j},\quad\forall j.$ #### Positivity Preserving. The resulting scheme preserves positivity of the computed cell averages $\overline{\rho}_{j}$ as stated in the following theorem. The proof is based on the forward Euler integration of the ODE system (2.1), but will remain equally valid if the forward Euler method were replaced by a higher-order SSP ODE solver [24], whose time step can be expressed as a convex combination of several forward Euler steps. ###### Theorem 2.3. Consider the system (1.1) with initial data $\rho_{0}(x)\geq 0$ and the semi- discrete finite-volume scheme (2.1), (2.4)–(2.7) with a positivity preserving piecewise linear reconstruction (2.2) for $\rho$. Assume that the system of ODEs (2.1) is discretized by the forward Euler method. Then, the computed cell averages $\overline{\rho}_{j}\geq 0,\ \forall\ j$, provided that the following CFL condition is satisfied: $\Delta t\leq\frac{\Delta x}{2a},\quad\mbox{where}\quad a=\max\limits_{j}\left\\{u_{j+\frac{1}{2}}^{+},-u_{j+\frac{1}{2}}^{-}\right\\},$ (2.10) with $u_{j+\frac{1}{2}}^{+}$ and $u_{j+\frac{1}{2}}^{-}$ defined in (2.6). ###### Proof. Assume that at a given time $t$ the computed solution is known and positive: $\overline{\rho}_{j}\geq 0,\ \forall j$. Then the new cell averages are obtained from the forward Euler discretization of equation (2.1): $\overline{\rho}_{j}(t+\Delta t)=\overline{\rho}_{j}(t)-\lambda\left[F_{j+\frac{1}{2}}(t)-F_{j-\frac{1}{2}}(t)\right],$ (2.11) where $\lambda:={\Delta t}/{\Delta x}$. As above, the dependence of all terms on the RHS of (2.11) on $t$ is suppressed in the following to simplify the notation. Using (2.4) and the fact that $\overline{\rho}_{j}=\frac{1}{2}\left(\rho_{j}^{\rm E}+\rho_{j}^{\rm W}\right)$ (see (2.3)), we obtain $\displaystyle\overline{\rho}_{j}(t+\Delta t)$ $\displaystyle=\frac{1}{2}\left(\rho_{j}^{\rm E}+\rho_{j}^{\rm W}\right)-\lambda\left[u_{j+\frac{1}{2}}^{+}\rho_{j}^{\rm E}+u_{j+\frac{1}{2}}^{-}\rho_{j+1}^{\rm W}-u_{j-\frac{1}{2}}^{+}\rho_{j-1}^{\rm E}-u_{j-\frac{1}{2}}^{-}\rho_{j}^{\rm W}\right]$ (2.12) $\displaystyle=\lambda u_{j-\frac{1}{2}}^{+}\rho_{j-1}^{\rm E}+\left(\frac{1}{2}-\lambda u_{j+\frac{1}{2}}^{+}\right)\rho_{j}^{\rm E}+\left(\frac{1}{2}+\lambda u_{j-\frac{1}{2}}^{-}\right)\rho_{j}^{\rm W}-\lambda u_{j+\frac{1}{2}}^{-}\rho_{j+1}^{\rm W}.$ It follows from (2.12) that the new cell averages $\overline{\rho}_{j}(t+\Delta t)$ are linear combinations of the nonnegative reconstructed point values $\rho_{j-1}^{\rm E},\rho_{j}^{\rm E},\rho_{j}^{\rm W}$ and $\rho_{j+1}^{\rm W}$. Since $u_{j-\frac{1}{2}}^{+}\geq 0$ and $u_{j+\frac{1}{2}}^{-}\leq 0$, we conclude that $\overline{\rho}_{j}(t+\Delta t)\geq 0,\ \forall j$, provided that the CFL condition (2.10) is satisfied. ∎ ###### Remark 2.4. Similar result holds for the first-order finite-volume scheme with the CFL condition reduced to $\Delta t\leq\frac{\Delta x}{2\max\limits_{j}\left(u_{j+\frac{1}{2}}^{+}-u_{j-\frac{1}{2}}^{-}\right)}.$ #### Discrete Entropy Dissipation. A discrete version of the entropy $E$ defined in (1.2) is given by $E_{\Delta}(t)=\Delta x\sum\limits_{j}\left[\frac{1}{2}\Delta x\sum\limits_{i}W_{j-i}\overline{\rho}_{i}\overline{\rho}_{j}+H(\overline{\rho}_{j})+{V}_{j}\overline{\rho}_{j}\right].$ (2.13) We also introduce the discrete version of the entropy dissipation $I_{\Delta}(t)=\Delta x\sum\limits_{j}(u_{j+\frac{1}{2}})^{2}\min\limits_{j}(\rho_{j}^{\rm E},\rho_{j+1}^{\rm W}).$ (2.14) In the following theorem, we prove that the time derivative of $E_{\Delta}(t)$ is less or equal than the negative of $I_{\Delta}(t)$, mimicking the corresponding property of the continuous relation. ###### Theorem 2.5. Consider the system (1.1) with no flux boundary conditions on $[-L,L]$ with $L>0$ and with initial data $\rho_{0}(x)\geq 0$. Given the semi-discrete finite-volume scheme (2.1) with $\Delta x=L/M$, (2.4)–(2.7) with a positivity preserving piecewise linear reconstruction (2.2) for $\rho$ and discrete boundary conditions $F_{M+\frac{1}{2}}=F_{-M-\frac{1}{2}}=0$. Then, $\frac{d}{dt}E_{\Delta}(t)\leq-I_{\Delta}(t),\quad\forall t>0.$ ###### Proof. We start by differentiating (2.13) with respect to time to obtain: $\displaystyle\frac{d}{dt}E_{\Delta}(t)$ $\displaystyle=\Delta x\sum\limits_{j}\left[\Delta x\sum\limits_{i}W_{j-i}\overline{\rho}_{i}\frac{d\overline{\rho}_{j}}{dt}+H^{\prime}(\overline{\rho}_{j})\frac{d\overline{\rho}_{j}}{dt}+{V}_{j}\frac{d\overline{\rho}_{j}}{dt}\right]$ $\displaystyle=\Delta x\sum\limits_{j}\left[\Delta x\sum\limits_{i}W_{j-i}\overline{\rho}_{i}+H^{\prime}(\overline{\rho}_{j})+{V}_{j}\right]\frac{d\overline{\rho}_{j}}{dt}.$ Using the definition (2.7) and the numerical scheme (2.1), we have $\frac{d}{dt}E_{\Delta}(t)=-\Delta x\sum\limits_{j}\xi_{j}\,\frac{F_{j+\frac{1}{2}}-F_{j-\frac{1}{2}}}{\Delta x}.$ A discrete integration by parts using the no flux discrete boundary conditions along with (2.5) yields $\frac{d}{dt}E_{\Delta}(t)=-\sum\limits_{j}(\xi_{j}-\xi_{j+1})F_{j+\frac{1}{2}}=-\Delta x\sum\limits_{j}u_{j+\frac{1}{2}}F_{j+\frac{1}{2}}.$ Finally, using the definition of the upwind fluxes (2.4) and formulas (2.6) and (2.14), we conclude $\frac{d}{dt}E_{\Delta}(t)=-\Delta x\sum\limits_{j}u_{j+\frac{1}{2}}\left[u_{j+\frac{1}{2}}^{+}\rho_{j}^{\rm E}+u_{j+\frac{1}{2}}^{-}\rho_{j+1}^{\rm W}\right]\leq-\Delta x\sum\limits_{j}(u_{j+\frac{1}{2}})^{2}\min\limits_{j}(\rho_{j}^{\rm E},\rho_{j+1}^{\rm W})=-I_{\Delta}(t).$ ∎ ### 2.2 Two-Dimensional Case In this subsection, we quickly describe a semi-discrete second-order finite- volume method for the 2-D equation (1.1). We explain the main ideas in 2D for the sake of the reader. As already mentioned, the first order scheme generalizes easily to unstructured meshes. However, higher order schemes with the desired entropy decreasing property are harder to obtain in this setting for higher dimensions. We introduce a Cartesian mesh consisting of the cells $C_{j,k}:=[x_{j-\frac{1}{2}},x_{j+\frac{1}{2}}]\times[y_{k-\frac{1}{2}},y_{k+\frac{1}{2}}]$, which for the sake of simplicity are assumed to be of the uniform size $\Delta x\Delta y$, that is, $x_{j+\frac{1}{2}}-x_{j-\frac{1}{2}}\equiv\Delta x,\ \forall\ j$, and $y_{k+\frac{1}{2}}-y_{k-\frac{1}{2}}\equiv\Delta y,\ \forall\ k$. A general semi-discrete finite-volume scheme for equation (1.1) can be written in the following form: $\frac{d\overline{\rho}_{j,k}}{dt}=-\frac{F^{x}_{j+\frac{1}{2},k}-F^{x}_{j-\frac{1}{2},k}}{\Delta x}-\frac{F^{y}_{j,k+\frac{1}{2}}-F^{y}_{j,k-\frac{1}{2}}}{\Delta y}.$ (2.15) Here, we define $\bar{\rho}_{j,k}(t)\approx\dfrac{1}{\Delta x\Delta y}\iint_{C_{j,k}}\rho(x,y,t)dxdy$ as the cell averages of the computed solution and $F^{x}_{j+\frac{1}{2},k}$ and $F^{y}_{j,k+\frac{1}{2}}$ are upwind numerical fluxes in the $x$ and $y$ directions, respectively. As in the 1-D case, to obtain formulae for numerical fluxes, we first compute $\rho_{j,k}^{\rm E},\rho_{j,k}^{\rm W},\rho_{j,k}^{\rm N}$ and $\rho_{j,k}^{\rm S}$, which are one-sided point values of the piecewise linear reconstruction $\widetilde{\rho}(x,y)=\overline{\rho}_{j,k}+(\rho_{x})_{j,k}(x-x_{j})+(\rho_{y})_{j,k}(y-y_{k}),\quad(x,y)\in C_{j,k},$ (2.16) at the cell interfaces $(x_{j+\frac{1}{2}},y_{k})$, $(x_{j-\frac{1}{2}},y_{k})$, $(x_{j},y_{k+\frac{1}{2}})$, $(x_{j},y_{k-\frac{1}{2}})$, respectively. Namely, $\displaystyle\rho_{j,k}^{\rm E}:=\widetilde{\rho}(x_{j+\frac{1}{2}}-0,y_{k})=\overline{\rho}_{j,k}+\frac{\Delta x}{2}(\rho_{x})_{j,k},\quad\rho_{j,k}^{\rm W}:=\widetilde{\rho}(x_{j-\frac{1}{2}}+0,y_{k})=\overline{\rho}_{j,k}-\frac{\Delta x}{2}(\rho_{x})_{j,k},$ (2.17) $\displaystyle\rho_{j,k}^{\rm N}:=\widetilde{\rho}(x_{j},y_{k+\frac{1}{2}}-0)=\overline{\rho}_{j,k}+\frac{\Delta y}{2}(\rho_{y})_{j,k},\quad\rho_{j,k}^{\rm S}:=\widetilde{\rho}(x_{j},y_{k-\frac{1}{2}}+0)=\overline{\rho}_{j,k}-\frac{\Delta y}{2}(\rho_{y})_{j,k}.$ To ensure the point values in (2.17) are both second-order and nonnegative, the slopes in (2.16) are calculated according to the adaptive procedure similarly to the 1-D case. First, the centered-difference approximations, $(\rho_{x})_{j,k}=\frac{\overline{\rho}_{j+1,k}-\overline{\rho}_{j-1,k}}{2\Delta x}\quad\mbox{and}\quad(\rho_{y})_{j,k}=\frac{\overline{\rho}_{j,k+1}-\overline{\rho}_{j,k-1}}{2\Delta y}$ are used for all $j,k$. Then, if the reconstructed point values in some cell $C_{j,k}$ become negative, we recalculate the corresponding slopes $(\rho_{x})_{j,k}$ or $(\rho_{y})_{j,k}$ using a monotone nonlinear limiter, which guarantees that the reconstructed point values are nonnegative as long as the cell averages of $\overline{\rho}_{j,k}$ are nonnegative for all $j,k$. In our numerical experiments, we have used the one-parameter family of the generalized minmod limiters with $\theta\in[1,2]$: $\displaystyle(\rho_{x})_{j,k}=\textrm{minmod}\left(\theta\frac{\overline{\rho}_{j,k}-\overline{\rho}_{j-1,k}}{\Delta x},\frac{\overline{\rho}_{j+1,k}-\overline{\rho}_{j-1,k}}{2\Delta x},\theta\frac{\overline{\rho}_{j+1,k}-\overline{\rho}_{j,k}}{\Delta x}\right),$ $\displaystyle(\rho_{y})_{j,k}=\textrm{minmod}\left(\theta\frac{\overline{\rho}_{j,k}-\overline{\rho}_{j,k-1}}{\Delta y},\frac{\overline{\rho}_{j,k+1}-\overline{\rho}_{j,k-1}}{2\Delta y},\theta\frac{\overline{\rho}_{j,k+1}-\overline{\rho}_{j,k}}{\Delta y}\right).$ Given the polynomial reconstruction (2.16) and its point values (2.17), the upwind numerical fluxes in (2.15) are defined as $F_{j+\frac{1}{2},k}^{x}=u_{j+\frac{1}{2},k}^{+}\rho_{j,k}^{\rm E}+u_{j+\frac{1}{2},k}^{-}\rho_{j+1,k}^{\rm W},\qquad F_{j,k+\frac{1}{2}}^{y}=v_{j,k+\frac{1}{2}}^{+}\rho_{j,k}^{\rm N}+v_{j,k+\frac{1}{2}}^{-}\rho_{j,k+1}^{\rm S},$ (2.18) where $u_{j+\frac{1}{2},k}=-\frac{\xi_{j+1,k}-\xi_{j,k}}{\Delta x},\qquad v_{j,k+\frac{1}{2}}=-\frac{\xi_{j,k+1}-\xi_{j,k}}{\Delta y},$ the values of $u_{j+\frac{1}{2},k}^{\pm}$ and $v_{j,k+\frac{1}{2}}^{\pm}$ are defined according to (2.6), and $\xi_{j,k}=\Delta x\Delta y\sum\limits_{i,l}W_{j-i,k-l}\overline{\rho}_{i,l}+H^{\prime}(\overline{\rho}_{j,k})+V_{j,k}.$ (2.19) Here, $W_{j-i,k-l}=W(x_{j}-x_{i},y_{k}-y_{l})$ and $V_{j,k}=V(x_{j},y_{k})$. Similarly to the 1-D case, the formula (2.19) for $\xi_{j,k}$ is obtained by using the reconstruction formula (2.16) and applying the midpoint quadrature rule to the first integral in $\xi_{j,k}=\sum\limits_{i,l}\iint_{C_{i,l}}W(x-s,y-r)\widetilde{\rho}_{i,l}(s,r)\,ds\,dr\\\ +H^{\prime}(\widetilde{\rho}_{j,k}(x,y))+V(x_{j},y_{k}).$ As in the 1-D case, the ODE system (2.15) is to be integrated numerically by a stable and sufficiently accurate ODE solver such as the third-order SSP-RK ODE solver [24]. ###### Remark 2.6. As in the 1-D case, the first-order finite-volume method is obtained by taking $\widetilde{\rho}_{j,k}(x,y)=\overline{\rho}_{j,k}\quad{\rm and}\quad\rho_{j,k}^{\rm E}=\rho_{j,k}^{\rm W}=\rho_{j,k}^{\rm N}=\rho_{j,k}^{\rm S}=\overline{\rho}_{j,k},\quad\forall j,k.$ #### Positivity Preserving. The resulting 2-D finite-volume scheme will preserve positivity of the computed cell averages $\overline{\rho}_{j,k},\ \forall j,k$, as long as an SSP ODE solver, whose time steps are convex combinations of forward Euler steps, is used for time integration. We omit the proof of the positivity property of the scheme as it follows exactly the lines of Theorem 2.3. The only difference is that in the 2-D case $\overline{\rho}_{j,k}=\tfrac{1}{4}\left(\rho_{j,k}^{\rm E}+\rho_{j,k}^{\rm W}+\rho_{j,k}^{\rm N}+\rho_{j,k}^{\rm S}\right)$, which leads to a slightly modified CFL condition. We thus have the following theorem. ###### Theorem 2.7. Consider the system (1.1) with initial data $\rho_{0}(x)\geq 0$ and the semi- discrete finite-volume scheme (2.15), (2.18)–(2.19) with a positivity preserving piecewise linear reconstruction (2.16) for $\rho$. Assume that the system of ODEs (2.15) is discretized by the forward Euler (or a strong stability preserving Runge-Kutta) method. Then, the computed cell averages $\overline{\rho}_{j,k}\geq 0,\ \forall j,k$, provided the following CFL condition is satisfied: $\Delta t\leq\min\left\\{\frac{\Delta x}{4a},\frac{\Delta y}{4b}\right\\},\quad a=\max\limits_{j,k}\left\\{u_{j+\frac{1}{2},k}^{+},-u_{j+\frac{1}{2},k}^{-}\right\\},\quad b=\max\limits_{j,k}\left\\{v_{j,k+\frac{1}{2}}^{+},-v_{j,k+\frac{1}{2}}^{-}\right\\},$ where $u_{j+\frac{1}{2},k}^{\pm}$ and $v_{j,k+\frac{1}{2}}^{\pm}$ are defined according to (2.6). #### Discrete Entropy Dissipation. We define the discrete entropy $E_{\Delta}(t)=\Delta x\Delta y\sum\limits_{j,k}\left[\frac{1}{2}\Delta x\Delta y\sum\limits_{i,l}W_{j-i,k-l}\overline{\rho}_{i,l}\overline{\rho}_{j,k}+H(\overline{\rho}_{j,k})+\overline{V}_{j,k}\overline{\rho}_{j,k}\right],$ and discrete entropy dissipation $I_{\Delta}(t)=\Delta x\Delta y\sum\limits_{j,k}\left[(u_{j+\frac{1}{2},k})^{2}+(v_{j,k+\frac{1}{2}})^{2}\right]\min\limits_{j,k}\left(\rho_{j,k}^{\rm E},\rho_{j+1,k}^{\rm W},\rho_{j,k}^{\rm N},\rho_{j,k+1}^{\rm S}\right).$ Similarly to the 1-D case, we can show the following dissipative property of the scheme. ###### Theorem 2.8. Consider the system (1.1) with no flux boundary conditions in the domain $[-L,L]^{2}$ with $L>0$ and with initial data $\rho_{0}(x)\geq 0$. Given the semi-discrete finite-volume scheme (2.15), (2.18)–(2.19) with a positivity preserving piecewise linear reconstruction (2.16) for $\rho$, with $\Delta x=L/M$, and with discrete no-flux boundary conditions $F^{x}_{M+\frac{1}{2},k}={F^{x}_{-M-\frac{1}{2},k}}=F^{y}_{j,M+\frac{1}{2}}={F^{y}_{j,-M-\frac{1}{2}}}=0$. Then, $\frac{d}{dt}E_{\Delta}(t)\leq-I_{\Delta}(t),\quad\forall t>0.$ ## 3 Numerical Experiments In this section, we present several numerical examples, focusing mainly on the steady states or long time behaviors of the solutions to the general equation $\rho_{t}=\nabla\cdot\big{[}\rho\nabla\big{(}H^{\prime}(\rho)+V(\mathbf{x})+W\ast\rho\big{)}\big{]},\quad\mathbf{x}\in\mathbb{R}^{d},\ t>0.$ A previous detailed study in [5] for the degenerate parabolic and drift- diffusion equations demonstrated the good performance of the method (with small variants) in dealing with exponential rates of convergence toward compactly supported Barenblatt solutions. Here we will concentrate mostly on cases with the interaction potential $W$, and show that key properties like non-negativity and entropy dissipation are preserved. We will first start our discussion by using some test cases to validate the order of convergence of the scheme in space and its relation to the regularity of the steady states. If the solution $\rho$ is smooth, the spatial discretization given in Section 2 is shown to be of second order. However, in practice, the steady states of (1.1) are usually compactly supported, with discontinuities in the derivatives or even in the solutions themselves near the boundaries. This loss of regularity of the steady states usually leads to degeneracy in the order of convergence, as shown in Examples 1–4. Then, we will illustrate with several examples that the presented finite-volume scheme can be used for a numerical study of many challenging questions in which theoretical analysis has not yet been fully developed. ### 3.1 Steady states: Spatial Order and Time Stabilization ###### Example 1 (Attractive-repulsive kernels). We first consider equation (1.1) in 1-D with only the interaction kernel $W(x)=|x|^{2}/2-\log|x|$ (i.e., $H(\rho)=0,V(x)=0$). The corresponding unit- mass steady state is given by (see [32]): $\rho_{\infty}(x)=\begin{cases}\frac{1}{\pi}\sqrt{2-x^{2}},\qquad&|x|\leq\sqrt{2},\cr 0,&\mbox{otherwise}\,.\end{cases}$ and is Hölder continuous with exponent $\alpha=\frac{1}{2}$. This steady state is the unique global minimizer of the free energy (1.2) and it approached by the solutions of (1.1) with an exponential convergence rate as shown in [16]. We compute $\rho_{\infty}$ by numerically solving (1.1) at large time, with the initial condition $\rho(x,0)=\frac{1}{\sqrt{2\pi}}e^{-x^{2}/2}$. In Figure 3.1(a), we plot the numerical steady state obtained on a very coarse grid with $\Delta x=\sqrt{2}/5$. As one can see, even on such a coarse grid, the numerical steady state is in good agreement with the exact one, except near the boundary $x=\pm\sqrt{2}$. The spatial convergence error of the steady states in $L^{1}$ norm and $L^{\infty}$ norm is shown in Figure 3.1(b). As a general rule, the practical convergence error of the numerical steady state is $\alpha$ in $L^{\infty}$ norm and $\alpha+1$ in $L^{1}$ norm, if the exact steady state is $C^{\alpha}$-Hölder continuous. Figure 3.1: (a) The numerical steady state with grid size $\Delta x=\sqrt{2}/5$, compared with the exact one. (b) The convergence of error in $L^{1}$ and $L^{\infty}$ norms. Here the $L^{1}$ norm is computed by taking the numerical steady state piecewise constant inside each cell and $L^{\infty}$ norm is evaluated only at the cell centers. ###### Example 2 (Nonlinear diffusion with nonlocal attraction kernel). Next, we consider the equation (1.1) in 1-D with $H(\rho)=\frac{\nu}{m}\rho^{m}$, $W(x)=W(|x|)$ and $V(x)=0$, where $\nu>0,m>1$ and $W\in\mathcal{W}^{1,1}(\mathbb{R})$ is an increasing function on $[0,\infty)$, i.e., $\rho_{t}=\big{(}\rho(\nu\rho^{m-1}+W\ast\rho)_{x}\big{)}_{x}.$ (3.1) This equation arises in some physical and biological modelling with competing nonlinear diffusion and nonlocal attraction, see [35] for instance. The attraction represented by convolution $W*\rho$ is relatively weak (compared to that in the Keller-Segel model discussed below), and the solution does not blow up with bounded initial data, while the long time behavior of the solution is characterized by an extensive study of the steady states in [11]. When $m>2$, the attraction dominates the nonlinear diffusion, leading to a compactly supported steady state. When $m<2$, the behavior depends on the diffusion coefficient $\nu$: there is a local steady state for small $\nu$ with localized initial data and the solution always decays to zero for large $\nu$. The borderline case $m=2$ is investigated in [10] for non-compactly supported kernels, where the evolution depends on the coefficient $\nu$, the total conserved mass, and $\|W\|_{1}$. We begin by numerically calculating the solutions to the 1-D equation (3.1) with nonlinear diffusion and $W(x)=-e^{-|x|^{2}/2\sigma}/\sqrt{2\pi\sigma}$, for some constants $\sigma>0$. The corresponding steady states can also be obtained by implementing an iterative procedure proposed in [11]. Here, we compute the steady state solutions $\rho_{\infty}$ by the time evolution of (3.1) subject to Gaussian-type initial data $\rho_{0}(x)=\frac{1}{\sqrt{8\pi}}\left[e^{-0.5(x-3)^{2}}+e^{-0.5(x+3)^{2}}\right].$ The simulations are run on the computational domain $[-6,6]$ with the mesh size $\Delta x=0.02$ for large time until stabilization and the results are plotted in Figure 3.2(a) for different values of $m$. As one can observe, the boundary behavior of the compactly supported steady states has a similar dependence on $m$ as the Barenblatt solutions of the classical porous medium equation $\rho_{t}=\nu\big{(}\rho(\rho^{m-1})_{x}\big{)}_{x}$, that is, only Hölder continuous with exponent $\alpha=\min\big{(}1,1/(m-1)\big{)}$. Using the steady states of (1.1) computed by the iterative scheme proposed in [11], we can check the spatial convergence error of our scheme on different grid sizes $\Delta x$. As shown in Figure 3.2(b), the spatial convergence error of the steady states is $\min\big{(}2,m/(m-1)\big{)}$ in $L^{1}$ norm and is $\min\big{(}1,1/(m-1)\big{)}$ in $L^{\infty}$ norm. Figure 3.2: (a) The steady states with unit total mass for different $m$ have Hölder exponent $\alpha=\min\big{(}1,1/(m-1)\big{)}$ and $\sigma=1$, where $\nu$ is chosen such that the corresponding $\rho_{\infty}$ is supported on $[-2,2]$. (b) The convergence of the steady states $\rho_{\infty}$ on different grid size $\Delta x$, which is $\min\big{(}2,m/(m-1)\big{)}$ in $L^{1}$ norm and is $\min\big{(}1,1/(m-1)\big{)}$ in $L^{\infty}$ norm. Now let us turn our attention to the time evolution and the stabilization in time toward equilibria and show that the convergence in time toward equilibration can be arbitrarily slow. This is due to the fact that the effect of attraction is very small for large distances. Actually, different bumps at large distances will slowly diffuse and take very long time to attract each other. However, once they reach certain distance, the convexity of the Gaussian well will lead to equilibration exponentially fast in time. These two different time scales can be observed in Figure 3.3, where the time energy decay and density evolution are plotted to the solution corresponding to $m=3,\sigma=1$, and $\nu=1.48$ (see also Figure 3.2). Figure 3.3: (a) The two timescales in the decay towards the unique equilibrium solution corresponding: very slow energy decay followed by an exponential decay. (b) Time evolution of the density. Here, $m=3,\sigma=1$ and $\nu=1.48$. ###### Example 3 (Nonlinear diffusion with compactly supported attraction kernel). The dynamics of the solution of the 1-D equation (1.1) with characteristic functions as initial data is shown in Figure 3.4, for the compactly supported interaction kernel $W(x)=-(1-|x|)_{+}$. For $\rho_{0}(x)=\chi_{[-2,2]}(x)$, the solution forms two bumps and then merges to a single one, which is the global minimizer of the energy. When $\rho_{0}(x)=\chi_{[-3,3]}(x)$, the solution converges to three non-interacting bumps (in the sense that $\tfrac{\partial\xi}{\partial x}\rho\equiv 0$), each of which is a steady state. Figure 3.4: The dynamics of (3.1) starting with the initial data $\rho_{0}=\chi_{[-2,2]}$ and $\rho_{0}=\chi_{[-3,3]}$. The decay of the energy for these two cases is shown in Figure 3.5(a). After the initial transient disappears, the energy decreases significantly at later times only when the topology changes, i.e. the merge of disconnected components. Although there is a steady state with one single component with all the mass, the three-bump solutions with $\rho_{0}(x)=\chi_{[-3,3]}$ seems to be the correct final stable steady state. This can be confirmed from Figure 3.5(b), as $\xi$ is a constant on each connected component of the support. This example shows a very interesting effect in this equation, which is the appearance in the long time asymptotics of steady states with disconnected support. It should be observed that each bump is at distance larger than 1 from the other bumps, and thus the interaction force exerted between them is zero. This together with the finite speed of propagation of the degenerate diffusion are the reasons why the steady state with the total mass and connected support is not achieved in the long time asymptotics. This fact is related to the existence of local minimizers of the functional (1.2) in certain weak topologies, infinity Wasserstein distance, not allowing for large perturbations of the support, see [2, Section 5] and [22] for related questions. Figure 3.5: (a) The decay of the entropy of the equation (3.1) with initial data $\rho_{0}(x)=\chi_{[-2,2]}$ and $\rho_{0}(x)=\chi_{[-3,3]}$. After an initial transient behavior, there is a significant decrease in the entropy only when the topology of the solution changes. (b) The final steady state of (3.1) with initial data $\rho_{0}(x)=\chi_{[-3,3]}$ and the corresponding $\xi$. Here $\xi$ assumes different constant values on different connected components of the support. For other non-compactly supported kernels like $W(x)=-\frac{1}{2}e^{-|x|}$ or the Gaussian as in Example 2, there is a unique steady state with one single connected component in its support, though it exhibits the same slow-fast behavior in its convergence in time as shown in Figure 3.3. This metastability and other decaying solutions when $m<2$ are discussed in more details in [11]. ###### Example 4 (Nonlinear diffusion with double well external potential). In this example, we elaborate more on stationary states which are not global minimizers of the total energy. More precisely, we consider nonlinear diffusion equation for particles under an external double-well potential of the form $\rho_{t}=\big{(}\rho(\nu\rho^{m-1}+V)_{x}\big{)}_{x},\quad V(x)=\frac{x^{4}}{4}-\frac{x^{2}}{2}.$ (3.2) Actually, the steady states of (3.2) are of the form $\rho_{\infty}(x)=\left(\frac{C(x)-V(x)}{\nu}\right)_{+}^{\frac{1}{m-1}}$ with $C(x)$ piecewise constant possibly different in each connected component of the support. We run the computation with $\nu=1$, $m=2$ and initial data of the form $\rho_{0}(x)=\frac{M}{\sqrt{2\pi\sigma^{2}}}e^{-\frac{(x-x_{c})^{2}}{2\sigma^{2}}},\quad M=0.1,\ \sigma^{2}=0.2,$ (3.3) corresponding to the symmetric ($x_{c}=0$) and asymmetric ($x_{c}=0.2$) cases, respectively. It is obvious that for small mass, we can get infinitely many stationary states with two connected components in its support by perturbing the value of $C$ defining a symmetric steady state. Actually, each of them has a non zero basin of attraction depending on the distribution of mass initially as shown in Figure 3.6(b). While the global minimizer of the free energy is the symmetric steady state, the non symmetric ones are local minimizers in the infinity Wassertein distance or informally for small perturbations in the sense of its support. It is interesting to observe that even if the long time asymptotics is different for each initial data, the rate of convergence to stabilization seems uniformly 2, see Figure 3.6(a). Figure 3.6: (a) The decay of the entropy of the equation (3.2) with initial data (3.3), for the symmetric ($x_{c}=0$) and asymmetric ($x_{c}=0.2$) cases, respectively. A uniform rate of convergence of order 2 is observed towards the stationary states. (b) The evolution of the asymmetric initial data ($x_{c}=0.2$) towards the corresponding asymmetric stationary state. ### 3.2 Generalized Keller-Segel model Another related diffusion equation with nonlocal attraction is the generalized Keller-Segel model, $\rho_{t}=\nabla\cdot\big{(}\rho\nabla(\nu\rho^{m-1}+W\ast\rho)\big{)},$ (3.4) with the kernel $W(\mathbf{x})=|\mathbf{x}|^{\alpha}/\alpha$ with $-d<\alpha$ or the convention $W(\mathbf{x})=\ln|\mathbf{x}|$ for $\alpha=0$. The bound from below in $\alpha$ due to local integrability of the kernel $W$. When $\alpha=2-d$, $W$ is the Newtonian potential in $\mathbb{R}^{d}$, and the equation reduces to the Keller-Segel model for chemotaxis with nonlinear diffusion: $\rho_{t}=\nabla\cdot\big{(}\rho\nabla(\nu\rho^{m-1}-c)\big{)},\quad-\Delta c=\rho.$ (3.5) Compared with Example 2 where the interaction potential $W$ is integrable, the long tail for $W(\mathbf{x})=|\mathbf{x}|^{\alpha}/\alpha$ has non-trivial consequences. In certain parameter regimes, the solution can even blow up in finite time with smooth initial data. To clarify the different regimes, we can easily evaluate the balance between the attraction due to the nonlocal kernel $W$ and the repulsion due to diffusion by scaling arguments. In fact, taking the corresponding energy functional (1.2) and checking the scaling under dilations of each term, we can find three different regimes: * • Diffusion-dominated regime: $m>(d-\alpha)/d$. Here, the intuition is that solutions exist globally in time and the aggregation effect only shows in the long-time behavior where we observe nontrivial compactly supported stationary states. * • Balanced regime: $m=(d-\alpha)/d$. Here the mass of the system is the critical quantity. There is a critical mass, separating the diffusive behavior from the blow-up behavior. * • Aggregation-dominated regime: $m<(d-\alpha)/d$. Blow-up and diffusive behavior coexist for all values of the mass depending on the initial concentration. Figure 3.7: (a) The critical mass $M_{c}$ when $m+\alpha=1$, $\nu=1$ for different exponents $m$. (b) The blowing up solution for $m=1.5$, $\alpha=-0.5$ and $\nu=1$ with initial data $\rho_{0}(x)=M(e^{-4(x+2)^{2}}+e^{-4(x-2)^{2}})/\sqrt{\pi}$, where the total mass $M=0.057>M_{c}\approx 0.055$. (c) The decaying solution for $m=1.5$, $\alpha=-0.5$ and $\nu=1$ with initial data $\rho_{0}(x)=Me^{-x^{2}}/\sqrt{\pi}$, where $M=0.53<M_{c}=0.55$. The classical 2-D Keller-Segel system corresponds to $m=1$, $\alpha=0$, see [39, 12, 8, 6] and the references therein for the different behaviors. The nonlinear diffusion model for the balanced case with the Newtonian potential in $d\geq 3$ was studied in detail in [7]. Finite time blow-up solutions for general kernel $W(\mathbf{x})=|\mathbf{x}|^{\alpha}/\alpha$ in the aggregation-dominated regime were also investigated, combined with numerical simulations [42]. ###### Example 5 (Generalized Keller-Segel model in the balanced regime). Let us start with the 1-D example when $m+\alpha=1$ corresponding to the balanced case. Here, the behavior of the dynamics depends on the total conserved mass. The solutions blow up if the mass is greater than the threshold $M_{c}$ and otherwise the solutions decay to zero. This threshold mass can be determined by solving the equation with different initial conditions and is shown in Figure 3.7(a) for different values of $m$. For example, when $m=1.5$ and $\alpha=1-m=-0.5$, the threshold mass $M_{c}$ is about $0.055$. If the initial data has a larger mass as in Figure 3.7(b), the solution blows up. Since the numerical method is conservative, the density concentrates inside one cell instead of being infinity. Otherwise, if the initial data has a smaller mass as in Figure 3.7(c), the solution decays to zero. We have also checked the self-similar behavior for subcritical mass cases $(M<M_{c})$ in the sense of solving (3.4) with $V(x)=|x|^{2}/2$. That is in the similarity variables, the solution of $\rho_{t}=\nabla\cdot\big{(}\rho\nabla(\nu\rho^{m-1}+W\ast\rho+|x|^{2}/2)\big{)}$ converges to the self-similar profile. The decay rate in time is computed for several subcritical masses and is shown in Figure 3.8(a), illustrating that this rate is independent of the mass and is exactly $O(e^{-2t})$ as proven in the classical 2-D Keller-Segel model in [13]. We also observe in Figure 3.8(b) how the self-similar profiles become concentrated as a Dirac Delta at the origin as $M\to M_{c}$. Figure 3.8: (a) The uniformly exponential decay towards equilibrium (in similarity variables) for subcritical mass in self-similar variables when $m=1.5$, $\alpha=-0.5$, $\nu=1$ for different values of the mass $M<M_{c}$. (b) The equilibrium profiles for different $M<M_{c}$. ###### Example 6 (Generalized Keller-Segel model in the other regimes). The general behaviors of solutions to the 1-D version of (3.4) in other parameter regimes are also known to some extent. When $m>1-\alpha$ corresponding to the diffusion-dominated regime, a compact steady state is always expected, which is the global minimizer of the energy (1.2) as in [33]. If the nonlinearity of the diffusion is increased to be $m=1.6$ with the same total mass $(=0.057)$ and the exponent $\alpha=-0.5$, the solution converges to a steady state as in Figure 3.9 instead of blowing up as in Figure 3.7(b). When $\alpha+m<1$ corresponding to the aggregation-dominated regime, the small initial data decays to zero while large initial data blows up in finite time (see Figure 3.10). The size of the initial data determining the distinct behaviors is usually measured in a norm different from $L^{1}$ (the conserved mass), and no critical value in this norm as in the case $m+\alpha=1$ is expected. Figure 3.9: The evolution of the generalized Keller-Segel equation in the diffusion dominated regime ($m=1.6$, $\alpha=-0.5$) with $\nu=1.0$. The initial condition $\rho_{0}(x)=M(e^{-4(x+2)^{2}}+e^{-4(x-2)^{2}})/\sqrt{\pi}$ ($M=0.057$) is the same as that in Figure 3.7 (b). Figure 3.10: The evolution of the generalized Keller-Segel equation in the aggregation-dominated regime ($m=1.6$, $\alpha=-0.5$) with $\nu=1.0$. The initial condition is $\rho_{0}(x)=M(e^{-4(x+2)^{2}}+e^{-4(x-2)^{2}})/\sqrt{\pi}$, with $M=0.047$ for decaying solution in (a) and $M=0.048$ for blowup solutions in (b). ### 3.3 Aggregation equation with repulsive-attractive kernels In the absence of diffusion from $H(\rho)$ or confinement from $V$, steady states of the general equation (1.1) are still expected when the kernel $W$ incorporates both short range repulsion and long range attraction. This type of kernels arises in the continuum formulation of moving flocks of self- propelled particles [26, 20], and the popular ones are the Morse potential $W(x)=Ce^{-|x|/\ell}-e^{-|x|},\quad C>1,\ell<1$ and the power-law type $W(x)=\frac{|x|^{a}}{a}-\frac{|x|^{b}}{b},\quad a>b,$ with the convention that $|x|^{0}/0=\ln|x|$ below. ###### Example 7 (Quadratic attractive and Newtonian repulsive kernels). The regularity of the solution depends on the singularity of the repulsion force. If this force is small at short distance (or equivalently $b$ is relatively large), the solution can concentrate at a lower dimension subset, while more singular forces lead to smooth steady states except possible discontinuities near the boundary [2]. The case $a=2$ and $b=0$ is shown in Example 1, whose steady state is a semi-circle [32, 16], while the case $a=2$ and $b=1$ leads to a steady state which is a constant supported on an interval [21, 23]. We remind that the discrete convolution for the velocity field in (2.9) is discretized using the coefficients $W_{j-i}$, chosen as approximations of the local integral $W_{j-i}=\frac{1}{\Delta x}\int_{C_{i}}W(x_{j}-s)ds.$ (3.6) In the case of smooth kernels $(b>0)$, we can either use the mid-point rule or a direct computation of the integral if available. We show the numerically computed stationary state with both options in Figure 3.11 (a) and (b) respectively. As one can observe, the first choice is oscillation free while the second choice with exact integrals shows an overshoot of the density near the boundary of the support. The difference between the two cases can be explained by carefully writing down the characterization of the discrete stationary states based on the discrete entropy inequality in Theorem 2.5. The mid-point rule performs better due to its symmetry that induces some numerical diffusion. Figure 3.11: The steady states computed with: (a) mid-point quadrature rule for (3.6); (b) exact computation of $W_{j-i}$ in (3.6); (c) Same as (b) but adding small nonlinear diffusion. In case we would be dealing with singular kernels, we cannot use simple quadrature formulas like middle-point rule but rather we need to implement either quadrature formulas for singular integrals or perform exact evaluations of the integrals in (3.6). To avoid the oscillations as in Figure 3.11(b), we added a small nonlinear diffusion term, i.e., $\rho_{t}=\big{(}\rho(\epsilon\rho+W*\rho)_{x})_{x}$. Here quadratic nonlinear diffusion is used, respecting the same nonlinearity and scaling as in the original equation $\rho_{t}=(\rho(W*\rho)_{x})_{x}$. Numerical experiments as in Figure 3.11(c) indicate that $\epsilon=0.25(\Delta x)^{2}$ is close to optimal, in the sense that $\epsilon$ is just large enough to prevent the overshoot. This near optimal diffusion coefficient has been further confirmed by numerical experiments with different $\Delta x$. Figure 3.12: The steady states computed with on a finer mesh with: (a) mid- point rule for (3.6); (b) exact computation of $W_{j-i}$; (c) the convergence of $L^{1}$ errors for both options. For the sake of clarity, we show in Figure 3.12(a)-(b) the steady-state solutions computed on a finer mesh for the same cases as in Figure 3.11(a)-(b) along with the $O(\Delta x)$ decay of $L^{1}$ errors for different grid sizes $\Delta x$ in Figure 3.12(c). The $L^{\infty}$ errors is almost constant and not decaying with mesh refinement. They clearly indicate that the overshoot amplitude seen in Figures 3.11(b) and 3.12(b) is not reduced by mesh refinement and it needs the fix of small diffusion regularization. This will be further discussed in 2-D simulations below. ### 3.4 Two-dimensional simulations Now, let us illustrate the performance of the scheme in 2-D with some selected examples showcasing different numerical difficulties and interesting asymptotics. Figure 3.13: The evolution of the 2d aggregation equation with nonlinear diffusion with $\nu=0.1$, $m=3$, $W(\mathbf{x})=\exp(-|\mathbf{x}|^{2})/\pi$ and initial condition $\rho_{0}(\mathbf{x})=\frac{1}{4}\chi_{[-3,3]\times[-3,3]}(\mathbf{x})$. The computational domain is $[-4,4]\times[-4,4]$, with grid size $\Delta x=\Delta y=0.1$ and time step $\Delta t=0.001$. ###### Example 8 (Nonlinear diffusion with nonlocal attraction in 2-D). For the equation with $H(\rho)=\frac{\nu}{m}\rho^{m}$, $W(\mathbf{x})=-\exp(-|\mathbf{x}|^{2})/\pi$ and $V\equiv 0$, the dynamics is similar to that in 1-D, being the result of the competition between the nonlinear diffusion $\nabla\cdot\big{(}\rho\nabla(\nu\rho^{m-1})\big{)}$ and the nonlocal attraction $\nabla\cdot\big{(}\rho\nabla W*\rho)\big{)}$. The evolution starting from the rescaled characteristic function supported on the square $[-3,3]\times[-3,3]$ is shown in Figure 3.13. Because the interaction represented by the kernel $W(\mathbf{x})$ is nonzero for any $\mathbf{x}=(x,y)$, the final steady state consists of one single component; however, four clumps are formed in the evolution, as the attraction dominates the relatively weak diffusion. ###### Example 9 (Quadratic attractive and Newtonian repulsive kernel with small nonlinear diffusion). Similarly, overshoots may appear near the boundary of discontinuous solutions of $\rho_{t}=\nabla\cdot\big{(}\rho\nabla W*\rho\big{)}$ with repulsive- attractive kernels $W$. These overshoots can not be eliminated as easily as in one dimension, either by a careful choice of grid to align with the boundary or by a special numerical quadrature for $W_{i-j}$. However, stable solutions can be obtained by adding small nonlinear diffusion as in Example 7. Therefore, we consider the equation $\rho_{t}=\nabla\cdot\big{(}\rho\nabla(\epsilon\rho+W*\rho)\big{)}.$ For quadratic attractive and Newtonian repulsive kernel $W(\mathbf{x})=|\mathbf{x}|^{2}/2-\ln|\mathbf{x}|$, the steady states are shown in Figure 3.14, without $(\epsilon=0)$ or with the diffusion. The near optimal coefficient $\epsilon$ is numerically shown to be close to $0.4((\Delta x)^{2}+(\Delta y)^{2})$, exhibiting a similar mesh dependence as in Example 7. Since $W$ is singular in this (and next) example, $W_{j,k}$ is computed using Gaussian quadrature with four points in each dimension, to avoid the evaluation of $W$ at the origin. (a) $\epsilon=0$ (b) $\epsilon=0.4((\Delta x)^{2}+(\Delta y)^{2})$ Figure 3.14: (a) the steady state of the equation with $W(\mathbf{x})=|\mathbf{x}|^{2}/2-\ln|\mathbf{x}|$; (b) the steady state with the same $W(\mathbf{x})$, regularized by quadratic diffusion $\nabla\cdot\big{(}\rho\nabla(\epsilon\rho)\big{)}$. The exact steady state without diffusion is the characteristic function of the unit disk with density $\frac{1}{\pi}$. ###### Example 10 (Steady mill solutions). Another common pattern observed for the self-propelled particle systems with an attractive-repulsive kernel in 2-D is the rotating mill [15], and the steady pattern can be obtained from the equation $\rho_{t}=\nabla\cdot\big{(}\rho\nabla(W\ast\rho-\frac{\alpha}{\beta}\log|\mathbf{x}|)\big{)},\quad\mathbf{x}\in\mathbb{R}^{2},$ with some positive constants $\alpha$ and $\beta$. For the kernel $W(\mathbf{x})=\frac{1}{2}|\mathbf{x}|^{2}-\ln|\mathbf{x}|$, the steady state is still a constant $\rho_{\infty}=2$ on an annulus, whose inner and outer radius are given by $R_{0}=\sqrt{\frac{\alpha}{\beta}},\quad R_{1}=\sqrt{\frac{\alpha}{\beta}+\frac{M}{2\pi}},$ with the total conserved mass $M=\int_{\mathbb{R}^{d}}\rho d{\bf x}$. For other more realistic kernels like the Morse type [15] or Quasi-Morse type [14], the radial density is in general more concentrated near the inner radius, but the explicit form of $\rho_{\infty}$ can not be obtained in general. Numerical diffusion, in the form of $\epsilon\nabla\cdot(\rho\nabla\rho)$, is still needed to prevent the overshoot and the resulting steady states with $\epsilon=0.2((\Delta x)^{2}+(\Delta y)^{2})$ are shown in Figure 3.15 for two different potentials. (a) $W(\mathbf{x})=|\mathbf{x}|^{2}/2-\ln|\mathbf{x}|$ (b) $W(\mathbf{x})=\lambda\big{(}V(|\mathbf{x}|)-CV(|\mathbf{x}|/\ell)\big{)}$ Figure 3.15: The steady density $\rho_{\infty}$ for the rotating mill with $\Delta x=\Delta y=0.05$. (a) $\alpha=0.25$, $\beta=2\pi$; (b) $V(r)=-K_{0}(kr)/2\pi$, where $K_{0}(r)$ is the modified Bessel function of the second kind and the parameters $C=10/9,\ell=0.75,k=0.5,\lambda=100,\alpha=1.0,\beta=40$ are taken from[14]. Acknowledgment: JAC acknowledges support from projects MTM2011-27739-C04-02, 2009-SGR-345 from Agència de Gestió d’Ajuts Universitaris i de Recerca-Generalitat de Catalunya, and the Royal Society through a Wolfson Research Merit Award. JAC and YH were supported by Engineering and Physical Sciences Research Council (UK) grant number EP/K008404/1. The work of AC was supported in part by the NSF Grant DMS-1115682. The authors also acknowledge the support by NSF RNMS grant DMS-1107444. ## References * [1] L. Ambrosio, N. Gigli, and G. Savaré, Gradient flows in metric spaces and in the space of probability measures, Lectures in Mathematics ETH Zürich, Birkhäuser Verlag, Basel, second ed., 2008. * [2] D. Balagué, J. A. Carrillo, T. Laurent, and G. Raoul, Dimensionality of local minimizers of the interaction energy, Arch. Ration. Mech. Anal., 209 (2013), pp. 1055–1088. * [3] D. Benedetto, E. Caglioti, J. A. Carrillo, and M. 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arxiv-papers
2014-02-18T09:08:04
2024-09-04T02:49:58.355514
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Jos\\'e A. Carrillo and Alina Chertock and Yanghong Huang", "submitter": "Yanghong Huang", "url": "https://arxiv.org/abs/1402.4252" }
1402.4266
# Decay-assisted collinear resonance ionization spectroscopy: Application to neutron-deficient francium K. M. Lynch [email protected] School of Physics and Astronomy, The University of Manchester, Manchester, M13 9PL, United Kingdom ISOLDE, PH Department, CERN, CH-1211 Geneva-23, Switzerland Instituut voor Kern- en Stralingsfysica, KU Leuven, B-3001 Leuven, Belgium J. Billowes School of Physics and Astronomy, The University of Manchester, Manchester, M13 9PL, United Kingdom M. L. Bissell Instituut voor Kern- en Stralingsfysica, KU Leuven, B-3001 Leuven, Belgium I. Budinc̆ević Instituut voor Kern- en Stralingsfysica, KU Leuven, B-3001 Leuven, Belgium T.E. Cocolios School of Physics and Astronomy, The University of Manchester, Manchester, M13 9PL, United Kingdom ISOLDE, PH Department, CERN, CH-1211 Geneva-23, Switzerland R.P. De Groote Instituut voor Kern- en Stralingsfysica, KU Leuven, B-3001 Leuven, Belgium S. De Schepper Instituut voor Kern- en Stralingsfysica, KU Leuven, B-3001 Leuven, Belgium V.N. Fedosseev EN Department, CERN, CH-1211 Geneva 23, Switzerland K.T. Flanagan School of Physics and Astronomy, The University of Manchester, Manchester, M13 9PL, United Kingdom S. Franchoo Institut de Physique Nucléaire d’Orsay, F-91406 Orsay, France R.F. Garcia Ruiz Instituut voor Kern- en Stralingsfysica, KU Leuven, B-3001 Leuven, Belgium H. Heylen Instituut voor Kern- en Stralingsfysica, KU Leuven, B-3001 Leuven, Belgium B.A. Marsh EN Department, CERN, CH-1211 Geneva 23, Switzerland G. Neyens Instituut voor Kern- en Stralingsfysica, KU Leuven, B-3001 Leuven, Belgium T.J. Procter Present address: TRIUMF, Vancouver, British Columbia, V6T 2A3, Canada School of Physics and Astronomy, The University of Manchester, Manchester, M13 9PL, United Kingdom R.E. Rossel EN Department, CERN, CH-1211 Geneva 23, Switzerland Institut für Physik, Johannes Gutenberg-Universität Mainz, D-55128 Mainz, Germany S. Rothe EN Department, CERN, CH-1211 Geneva 23, Switzerland Institut für Physik, Johannes Gutenberg-Universität Mainz, D-55128 Mainz, Germany I. Strashnov School of Physics and Astronomy, The University of Manchester, Manchester, M13 9PL, United Kingdom H.H. Stroke Department of Physics, New York University, NY, New York 10003, USA K.D.A. Wendt Institut für Physik, Johannes Gutenberg-Universität Mainz, D-55128 Mainz, Germany ###### Abstract This paper reports on the hyperfine-structure and radioactive-decay studies of the neutron-deficient francium isotopes 202-206Fr performed with the Collinear Resonance Ionization Spectroscopy (CRIS) experiment at the ISOLDE facility, CERN. The high resolution innate to collinear laser spectroscopy is combined with the high efficiency of ion detection to provide a highly-sensitive technique to probe the hyperfine structure of exotic isotopes. The technique of decay-assisted laser spectroscopy is presented, whereby the isomeric ion beam is deflected to a decay spectroscopy station for alpha-decay tagging of the hyperfine components. Here, we present the first hyperfine-structure measurements of the neutron-deficient francium isotopes 202-206Fr, in addition to the identification of the low-lying states of 202,204Fr performed at the CRIS experiment. ## I Introduction Recent advances in high-resolution laser spectroscopy have resulted in the ability to measure short-lived isotopes with yields of less than 100 atoms per second Cheal and Flanagan (2010); Blaum _et al._ (2013). The Collinear Resonance Ionization Spectroscopy (CRIS) experiment Procter and Flanagan (2013), located at the ISOLDE facility, CERN, aims to push the limits of laser spectroscopy further, performing hyperfine-structure measurements on isotopes at the edges of the nuclear landscape. It provides a combination of high- detection efficiency, high resolution and ultra-low background, allowing measurements to be performed on isotopes with yields below, in principle, one atom per second. The first optical measurements of francium were performed in 1978. Liberman identified the 7s 2S${}_{1/2}\rightarrow$ 7p 2P3/2 atomic transition, performing hyperfine-structure and isotope-shift measurements first with low- resolution Liberman _et al._ (1978) and later with high-resolution laser spectroscopy Liberman _et al._ (1980). The wavelength of this transition $\lambda$(D2) = 717.97(1) nm was in excellent agreement with the prediction of Yagoda Yagoda (1932), made in 1932 before francium was discovered. Further measurements of francium followed in the next decade. High-resolution optical measurements were performed on both the 7s 2S${}_{1/2}\rightarrow$ 7p 2P3/2 atomic transition Coc _et al._ (1985); Touchard _et al._ (1984); Bauche _et al._ (1986), as well as the 7s 2S${}_{1/2}\rightarrow$ 8p 2P3/2 transition Duong _et al._ (1987), along with transitions into high-lying Rydberg states Andreev _et al._ (1987). The CRIS technique, a combination of collinear laser spectroscopy and resonance ionization was originally proposed by Kudriavtsev in 1982 Kudriavtsev and Letokhov (1982), but the only experimental realization of the technique was not performed until 1991 on ytterbium atoms Schulz _et al._ (1991). The ability to study the neutron-deficient francium (Z = 87) isotopes at the CRIS beam line offers the unique opportunity to answer questions arising from the study of the nuclear structure in this region of the nuclear chart. As the isotopes above the Z = 82 shell closure become more neutron deficient, a decrease in the excitation energy of the ($\pi$1i13/2)${}_{13/2^{+}}$, ($\pi$2f7/2)${}_{7/2^{+}}$, ($\nu$1i13/2)${}_{13/2^{+}}$ and ($\pi$3s${}^{-1}_{1/2}$)${}_{1/2^{+}}$ states is observed. In 185Bi (Z = 83) and 195At (Z = 85), the ($\pi$3s${}^{-1}_{1/2}$)${}_{1/2^{+}}$ deformed intruder state has been observed to be the ground state Davids _et al._ (1996); Kettunen _et al._ (2003). Recent radioactive-decay measurements suggest the existence of a ($\pi$3s${}^{-1}_{1/2}$)${}_{1/2^{+}}$ proton intruder state for 203Fr and, with a lower excitation energy, for 201Fr, suggesting that this state may become the ground state in 199Fr Uusitalo _et al._ (2005); Jakobsson _et al._ (2012). The intruder configurations polarize the nucleus, creating significant deformation. From the study of the nuclear structure of the neutron-deficient francium isotopes towards 199Fr (by measuring the magnetic dipole moments and change in mean-square charge radii of the ground and isomeric states), the quantum configuration of the states and the shape of the nuclei can be investigated. Radioactive-decay measurements on the neutron-deficient francium isotopes have aimed to determine the level structure of the low-lying nuclear states, but their exact nature is still unknown Huyse _et al._ (1992); Uusitalo _et al._ (2005); Jakobsson _et al._ (2012, 2013). High-resolution collinear laser spectroscopy has allowed determination of the ground-state properties of 204,205,206Fr Voss _et al._ (2013), confirming the tentative spin assignments. The spin of 205Fr was measured to be 9/2-, the ground-state spins of 204,206Fr were confirmed as 3(+), but the low-lying spin (7+) and (10-) isomers are still under investigation. General methods of isomer identification have already been achieved with in- source laser spectroscopy Fedosseev _et al._ (2012a) (and references therein). In the case of 68,70Cu Weissman _et al._ (2002), following the selection of isomeric beams, experiments such as Coulomb excitation Stefanescu _et al._ (2007) and mass measurements Van Roosbroeck _et al._ (2004) have been performed. However, these experiments suffered from isobaric contamination, as well as significant ground-state contamination due to the Doppler broadening of the hyperfine resonances of each isomer Cheal and Flanagan (2010). One way of addressing the difficulties of in-source laser spectroscopy (isobaric contamination, Doppler broadening, pressure broadening) is selecting the ground or isomeric state of interest by resonance ionization in a collinear geometry. In a sub-Doppler geometry, the process of isomer selective resonance laser ionization Fedosseev _et al._ (2012a) can result in a high-purity isomeric beam. Deflection of the pure-state ion beam to the decay spectroscopy station allows identification of the hyperfine component with alpha-decay spectroscopy. ## II Experimental technique Radioactive ion beams of francium were produced at the ISOLDE facility, CERN Kugler (2000) by impinging 1.4 GeV protons onto a thick UCx target (up to 2 $\mu$A integrated proton current). The radioisotopes were surface ionized through interaction with the rhenium coating on the hot (2400 K) tantalum transfer line and extracted from the target-ion source at 50 keV. The isotope of interest was mass selected using the high-resolution HRS separator and bunched (at 31.25 Hz) with the radio-frequency cooler-buncher ISCOOL Jokinen _et al._ (2003); Mané _et al._ (2009). The bunched-ion beam was deflected into the CRIS beam line and transported through a potassium-vapour charge exchange cell (CEC) (420 K, $\sim$10-6 mbar chamber pressure, 6$\times 10^{-4}$ mbar vapour pressure Haynes (2013)) to be neutralized. In the 1.2 m long interaction region, the arrival of the atomic bunch was synchronized with two co-propagating pulsed laser beams to excite the state of interest followed by ionization in a step-wise scheme. The temporal length of the atomic bunch was 2-3 $\mu$s, corresponding to a spatial length of 45-70 cm. To reduce the background signal resulting from non-resonant collisional ionization, the interaction region aims at ultra-high vacuum (UHV) conditions. A pressure of $<$10-8 mbar was achieved during this experiment. A schematic diagram of the CRIS beam line is shown in Fig. 1. ### II.1 Collinear resonance ionization spectroscopy The resonant excitation step from the 7s 2S1/2 electronic ground state to the 8p 2P3/2 state was probed with 422.7-nm light. The laser light of this resonant step was provided by a narrow-band titanium:sapphire (Ti:Sa) laser of the ISOLDE RILIS installation Fedosseev _et al._ (2012b); Rothe _et al._ (2013), pumped by the second harmonic output of a Nd:YAG laser (Model: Photonics Industries DM-60-532, 10 kHz). The fundamental output from the tuneable Ti:Sa laser was frequency doubled using a BBO crystal to produce the required 422.7-nm laser light. The light was fibre-coupled into the CRIS beam line through 35 m of multimode optical fibre ($\sim$100 mW output). The laser linewidth of 1.5 GHz limited the resolution achieved in the present experiment, allowing only the lower-state (7s 2S1/2) splitting to be fully resolved. The second (non-resonant) transition from the 8p 2P3/2 state to the continuum was driven using 1064-nm light. This light was produced by a fundamental Nd:YAG laser (Model: Quanta-Ray LAB 130, operated at 31.25 Hz) next to the CRIS setup, temporally overlapped with the 422.7-nm laser beam and aligned through the laser/atom interaction region. The standard repetition rate of the RILIS lasers (10 kHz) limited the repetition rate of the 1064-nm laser light to 31.25 Hz (one out of every 320 pulses of 422.7-nm laser light was utilized). The bunching of the ion beam with ISCOOL was matched to the lower repetition rate of 31.25 Hz to overlap the atom bunch with the two laser pulses every 32 ms. Figure 1: Schematic diagram of the CRIS beam line. Laser ions can be deflected to a copper plate and the corresponding secondary electrons detected by the MCP, or implanted into a carbon foil for alpha-decay spectroscopy. (Inset) The decay spectroscopy station (DSS) ‘windmill’ system for alpha-decay tagging. The synchronization of the first- and second-step laser pulses and the release of the ion bunch from ISCOOL was controlled by a Quantum Composers digital delay generator (Model: QC9258). The 10 kHz pulse generator of the Ti:Sa pump laser acted as the master clock, triggering the delay generator to output a sequence of TTL pulses to synchronize the 1064-nm laser light and the ion bunch with the 422.7-nm light, allowing resonance ionization of the francium atoms to occur. The laser ions were detected by a micro-channel plate (MCP) housed in the decay spectroscopy station (DSS). The electronic signal from the MCP was digitized by a LeCroy oscilloscope (Model: WavePro 725Zi, 2 GHz bandwidth, 8 bit ADC, 20 GS/s), triggered by the digital delay generator. The data were transferred from the oscilloscope using a LabVIEW™ program. The frequency of the resonant excitation step, the 422.7-nm laser light, was scanned to study the 7s 2S${}_{1/2}\rightarrow$ 8p 2P3/2 atomic transition. The scanning and stabilization of the frequency was controlled by the RILIS Equipment Acquisition and Control Tool (REACT), a LabVIEW control program package that allows for remote control, equipment monitoring and data acquisition Rossel _et al._ (2013). This was achieved by controlling the etalon tilt angle inside the Ti:Sa laser resonator to adjust the laser wavelength, which was measured with a HighFinesse wavemeter (Model: WS7), calibrated with a frequency stabilised HeNe laser. The francium experimental campaign at CRIS marked the first implementation of the REACT framework for external users. The remote control LabVIEW interface for the Ti:Sa laser ran locally at the CRIS setup, allowing independent laser scanning and control. ### II.2 Decay-assisted laser spectroscopy The technique of decay-assisted collinear laser spectroscopy was further developed at the CRIS beam line to take advantage of the ultra-pure ion beams produced by resonance ionization in a collinear geometry Lynch _et al._ (2013a). The selectivity from resonance ionization of an isotope is a result of the selectivity of the Lorentzian profile of the natural linewidth ($\sim$12.5 MHz) of the state and the Gaussian profile of the laser linewidth ($\sim$1.5 GHz). At a frequency separation of 4 GHz, the Gaussian component falls to 1% of its peak intensity and the selectivity is dominated by the natural linewidth of the state. Thus, the maximum selectivity from resonance ionization is given by Eq. (1), $S=\prod_{n=1}^{N}\Big{(}\frac{\Delta\omega_{\textnormal{AB},n}}{\Gamma_{n}}\Big{)}^{2}=\prod_{n=1}^{N}S_{n},$ (1) where $\Delta\omega_{\textnormal{AB}}$ is the separation in frequency of the two states (A and B), $\Gamma_{n}$ is the FWHM of the natural linewidth of the state, $S_{n}$ is the selectivity of the transition and $N$ is the number of transitions used. The total selectivity of a resonance ionization process is given by the product of the individual selectivities. In the case of the two states being the ground state and isomer, the selectivity can be calculated from Eq. (1). When the two states are the isotope of interest and contamination from a neighbouring isotope, additional selectivity can be gained from the kinematic shift since the laser is overlapped with an accelerated beam. In addition to hyperfine-structure studies with ion detection, the decay spectroscopy station can be used to identify the hyperfine components of overlapping structures. This allows the hyperfine structure of two states to be separated by exploiting their characteristic radioactive-decay mechanisms. This results in a smaller error associated with the hyperfine parameters, and a better determination of the extracted nuclear observables. The decay spectroscopy station (DSS) consists of a rotatable wheel implantation system Rajabali _et al._ (2013). It is based on the design from KU Leuven Dendooven (1992) (Fig. 1 of Ref. Andreyev _et al._ (2010)), which has provided results in a number of successful experiments Elseviers _et al._ (2013) (and references therein). The wheel holds 9 carbon foils, produced at the GSI target laboratory Lommel _et al._ (2002), with a thickness of 20(1) $\mu$g cm-2 ($\sim$90 nm) into which the ion beam is implanted (at a depth of $\sim$25 nm). Two Canberra Passivated Implanted Planar Silicon (PIPS) detectors for charged- particle detection (e.g. alpha, electron, fission fragments) are situated on either side of the implantation carbon foil, as shown in Fig. 1. One PIPS detector (Model: BKA 300-17 AM, thickness 300 $\mu$m) sits behind the carbon foil and another annular PIPS (APIPS) (Model: BKANPD 300-18 RM, thickness 300 $\mu$m, with an aperture of 4 mm) is placed in front of the carbon foil. The detectors are connected to charge sensitive Canberra preamplifiers (Model: 2003BT) via a UHV type-C sub-miniature electrical feed-through. Laser-produced ions from the interaction region in the CRIS beam line are deflected to the DSS by applying a potential difference between a pair of vertical electrostatic plates, see Fig. 1. The deflected ion beam is implanted into the carbon foil, after passing though a collimator with a 4 mm aperture and the APIPS detector. The collimator shields the APIPS detector from direct implantation of radioactive ions into the silicon wafer, see Fig. 1. Decay products from the carbon foil can be measured by either the APIPS or PIPS detector, with a total solid-angle coverage of 63% (simulated, assuming a uniform distribution of implanted activity). Operation of the single APIPS detector during the experiment gave an alpha-detection efficiency of 25%. An electrical contact is made to the collimator, allowing the current generated by the ion beam when it strikes the collimator to be measured and the plate to be used as a beam monitoring device. When it is not in use, it is electrically grounded to avoid charge build-up. A Faraday cup is installed in the location of one of the carbon foils. This copper plate (thickness 0.5 mm, diameter 10 mm) is electrically isolated from the steel wheel by PEEK rings and connected by a spot-welded Kapton cable attached to a rotatable BNC connection in the centre of the wheel Rajabali _et al._ (2013). The alpha-decay spectroscopy data is acquired with a digital data acquisition system (DAQ), consisting of XIA digital gamma finder (DGF) revision D modules Hennig _et al._ (2007). Each module has four input channels with a 40 MHz sampling rate. Signals fed into the digital DAQ are self-triggered with no implementation of master triggers. Due to the reflective surface of the inside of the vacuum chambers, a significant fraction of 1064-nm laser light was able to scatter into the silicon detectors. Despite the collimator in front of the APIPS detector to protect it from ion implantation (and laser light), the infra-red light caused a shift in the baseline of the signal from the silicon detector. This required the parameters for the DGF modules to be adjusted to account for this effect online, since the reflections were due to the particular setup of the experiment (power and laser-beam path). The low energy resolution of the APIPS detector was associated with the necessity of optimizing the DGF parameters online with the radioactive 221Fr (t1/2 = 4.9(2) min). In addition, a fluctuating baseline resulting from the changing power of the 1064-nm laser light meant that only a resolution of 30 keV at 6.341 MeV was achieved. This however was sufficient to identify the characteristic alpha decays of the neutron-deficient francium isotopes under investigation. ## III Results The hyperfine structures of the neutron-deficient francium isotopes 202-206Fr were measured with collinear resonance ionization spectroscopy, with respect to the reference isotope 221Fr. This paper follows the recent publication reporting the hyperfine-structure studies of 202,203,205Fr Flanagan _et al._ (2013). During the experimental campaign, the neutron-rich francium isotopes 218m,219,229,231Fr were also studied. A detailed description of the nature of these isotopes will be the topic of a future publication Budinc̆ević _et al._ . The resonance spectrum of the 7s 2S1/2 $\rightarrow$ 8p 2P3/2 transition was fit with a $\chi^{2}$-minimization routine. The hyperfine $A_{P_{3/2}}$ factor was fixed to the ratio of the 7s 2S1/2 $\rightarrow$ 8p 2P3/2 transition of $A_{P_{3/2}}/A_{S_{1/2}}=+22.4/6209.9$, given in literature Duong _et al._ (1987). For the 8p 2P3/2 state, the hyperfine $B_{P_{3/2}}$ factor is small enough to have no impact on the fit to the data, and was consequently set to zero Cocolios _et al._ (2013). Figure 2: Collinear resonance ionization spectroscopy of 204Fr relative to 221Fr. The hyperfine structure of the 3(+) ground state of 204gFr is shown in blue, the 7+ state of 204m1Fr is shown in green and the (10-) state of 204m2Fr is shown in red. Figure 3: The radioactive decay of 204Fr and its isomers Huyse _et al._ (1992); Uusitalo _et al._ (2005); Jakobsson _et al._ (2013). The intensities of the hyperfine transitions $S_{FF^{\prime}}$ between hyperfine levels $F$ and $F^{\prime}$ (with angular momentum $J$ and $J^{\prime}$ respectively) are related to the intensity of the underlying fine structure transition $S_{JJ^{\prime}}$ Blaum _et al._ (2013). The relative intensities of the hyperfine transitions are given by $\frac{S_{FF^{\prime}}}{S_{JJ^{\prime}}}=(2F+1)(2F^{\prime}+1)\begin{Bmatrix}F&F^{\prime}&1\\\ J^{\prime}&J&I\end{Bmatrix}^{2},$ (2) where $\\{\ldots\\}$ denotes the Wigner 6-$j$ coefficient. Although these theoretical intensities are only strictly valid for closed two-level systems, and there was jitter on the temporal overlap of the two laser pulses in the interaction region, they were used as currently the most reliable estimate. The $A_{S_{1/2}}$ factor and the centroid frequency of the hyperfine structure were determined for each scan individually. For isotopes with multiple scans, a weighted mean for the $A_{S_{1/2}}$ factor and the centroid frequency were calculated based on the error of the fits. The uncertainty attributed to the $A_{S_{1/2}}$ factor was calculated as the weighted standard deviation of the values. The isotope shifts were determined relative to 221Fr, with the uncertainty propagated from the error of the fits, the scatter and the drift in centroid frequency of the 221Fr reference scans Cocolios _et al._ (2013). ### III.1 Spectroscopic studies of 204Fr Figure 4: Alpha-particle spectroscopy of (blue) 204gFr, (green) 204m1Fr and (red) 204m2Fr allowed the hyperfine peaks in Fig. 2 to be identified. The laser was detuned by 11.503 GHz (peak A, 204gFr), 8.508 GHz (peak B, 204m1Fr) and 18.693 GHz (peak C, 204m2Fr) relative to the centroid frequency of 221Fr. The hyperfine structure of 204Fr is shown in Fig. 2, measured by detecting the laser ions with the MCP detector as a function of the scanned first-step laser frequency. Five peaks are observed in the spectrum. Considering that only the lower-state splitting is resolved (associated with the 1.5 GHz linewidth of the scanning laser), two hyperfine resonances are expected per nuclear (ground or isomeric) state. Consequently, Fig. 2 contains the hyperfine structure of three long-lived states in 204Fr, with one of the resonances unresolved (labeled E). In order to identify the states of the hyperfine resonances, laser assisted alpha-decay spectroscopy was used. Figure 5: Alpha-particle spectroscopy of the (10-) state of 204m2Fr. The decay of 204m2Fr to 204m1Fr via an E3 IT is observed through the presence of 204m1Fr alpha particles of 6969 keV (denoted by $\star$). The laser was detuned by 43.258 GHz relative to the centroid frequency of 221Fr. The radioactive decay of the low-lying states in 204Fr is presented in Fig. 3. The characteristic alpha decay of each nuclear state in 204Fr was utilized to identify the hyperfine-structure resonances of Fig. 2. The laser was tuned on resonance with each of the first three hyperfine resonances (labeled A, B and C) and alpha-decay spectroscopy was performed on each. The alpha-particle energy spectrum of these three states is illustrated in Fig. 4. The energy of the alpha particles emitted when the laser was on resonance with an atomic transition of the hyperfine spectrum characteristic of 204gFr is shown in blue. This transition occurred at 11.503 GHz (peak A of Fig. 2) relative to the centroid frequency of 221Fr. Similarly, the alpha-particle energy spectra for 204m1Fr and 204m2Fr are shown in green and red, when the laser was detuned by 8.508 GHz and 18.693 GHz (peak B and C) from the reference frequency, respectively. Present in the alpha-particle energy spectrum are the alpha particles emitted from the decay of the 204Fr states (6950-7050 keV) in addition to those emitted from the nuclear states in the daughter isotope 200At (6400-6500 keV). Each state in 204Fr has a characteristic alpha-particle emission energy: 7031 keV for 204gFr, 6969 keV for 204m1Fr and 7013 keV for 204m2Fr. This was confirmed by the presence of the corresponding daughter decays of 200gAt (6464 keV), 200m1Fr (6412 keV), and 200m2At (6537 keV) in the alpha-particle energy spectrum. Figure 6: A two-dimensional histogram of the alpha-particle energy as the hyperfine structure of 204Fr is probed. (Top) Projection of the frequency axis. The total number of alpha particles detected at each laser frequency reveals the hyperfine structure of 204Fr. An additional alpha-decay measurement was performed on peak D in the hyperfine spectrum of 204Fr (see Fig. 2) at 43.258 GHz relative to the centroid frequency of 221Fr. The observation of 7013 keV alpha particles allowed this state to be identified as 204m2Fr. This meant the identity of all five hyperfine-structure peaks could be allocated to a state in 204Fr (hence the hyperfine structure peak E is the overlapping structure of 204gFr and 204m1Fr), allowing analysis of the hyperfine structure of each state. In addition to the 7031 keV alpha particles of 204m2Fr, alpha particles of 6969 keV from the decay of 204m1Fr were also observed when the laser was on resonance with the 204m2Fr state. The decay of the (10-) state to 204m1Fr via an E3 internal transition (IT) has been predicted Huyse _et al._ (1992) but only recently observed Jakobsson _et al._ (2012), see Fig. 3. This was achieved by tagging the conversion electron from the internal conversion of 204m2Fr with the emitted 6969 keV alpha particles of 204m1Fr that followed (with a 5 s correlation time). This allowed the predicted energy of the 275 keV isomeric transition to be confirmed. During the CRIS experiment, an additional alpha-decay measurement was performed on 204m2Fr, with the laser detuned by 43.258 GHz relative to the centroid frequency of 221Fr, see Fig. 5. This spectrum confirms the presence of the 6969 keV alpha particle (denoted by $\star$), emitted from the decay of 204m1Fr. The ultra-pure conditions of this measurement allowed the first unambiguous extraction of the branching ratios in the decay of 204m2Fr: $B_{\alpha}=53(10)$% and $B_{IT}=47(10)$% Lynch (2013). Figure 7: Alpha-tagged hyperfine structure of (a) 204gFr spin 3(+) ground state, (b) 204m1Fr spin (7+) isomer, and (c) 204m2Fr spin (10-) isomer. Additional peaks are discussed in the text. Decay-assisted laser spectroscopy was also performed on the hyperfine structure of the low-lying states of 204Fr. Just as the laser frequency of the resonant 422.7-nm ionization step was scanned and resonant ions were detected in the collinear resonance ionization spectroscopy of 204Fr, the same technique was repeated with the measurement of alpha particles. At each laser frequency, a radioactive-decay measurement of 60 s was made at the DSS, measuring the alpha particles emitted from the implanted ions. Fig. 6 (Top) shows the hyperfine peaks associated with each state in 204Fr. Measurement of the alpha decay as a function of laser frequency allowed production of a matrix of alpha-particle energy versus laser frequency, see Fig. 6. In order to separate hyperfine structures for each states, an alpha-energy gating was used to maximize the signal-to-noise ratio for the alpha particle of interest. The alpha-energy gates were chosen to be 7031-7200 keV for 204gFr, 6959-6979 keV for 204m1Fr and 7003-7023 keV for 204m2Fr. By gating on the characteristic alpha-particle energies of the three states in 204Fr, the hyperfine structures of individual isomers become enhanced in the hyperfine spectrum. Fig. 7(a) shows the hyperfine structure of 204gFr, (b) 204m1Fr, and (c) 204m2Fr. The presence of 204m2Fr can be observed in the spectra of 204gFr due to the overlapping peaks of the alpha energies: the tail of the 7013 keV alpha peak is present in the gate of the 204gFr alpha peak. The presence of 204m2Fr in the hyperfine structure spectrum of 204m1Fr is attributed to the E3 IT decay of 204m2Fr to 204m1Fr: alpha particles of energy 6969 keV are observed when on resonance with 204m2Fr. Additionally, 204gFr is present in the 204m2Fr spectra due to the similar energies of the 7031 keV and 7013 keV alpha particles. However, despite the contamination in the hyperfine spectra, each peak is separated sufficiently in frequency to be analysed independently. From the resulting hyperfine structures of Fig. 7 produced by the alpha- tagging process (in comparison to the overlapping ion data of Fig. 2), each state of 204Fr can be analysed individually and the hyperfine factors extracted with better accuracy and reliability. The estimated error of the $A_{S_{1/2}}$ factors was 30 MHz on account of the scatter of $A_{S_{1/2}}$ values for 221Fr. Likewise, an error of 100 MHz was assigned to the isotope shifts. ### III.2 Identification of the hyperfine structure of 202Fr Figure 8: Collinear resonance ionization spectroscopy of 202Fr relative to 221Fr. The hyperfine structure of the (3+) ground state of 202gFr is shown in blue and the (10-) state of 202mFr is shown in red. Figure 9: The radioactive decay of 202Fr and its isomer De Witte _et al._ (2005). The hyperfine structure of 202Fr obtained with collinear resonance ionization spectroscopy is presented in Fig. 8. The four hyperfine resonances illustrate the presence of the ground (202gFr) and isomeric (202mFr) states. Identification of these two states was performed with laser-assisted alpha- decay spectroscopy. According to literature, the radioactive decay of 202gFr (t1/2 = 0.30(5) s) emits an alpha particle of energy 7241(8) keV, whereas 202mFr (t1/2 = 0.29(5) s) emits an alpha particle of energy 7235(8) keV Zhu and Kondev (2008). The radioactive decay of the ground and isomeric state of 202Fr is presented in Fig. 9. Figure 10: Alpha-particle spectroscopy of (blue) 202gFr and (red) 202mFr allowed the hyperfine peaks in Fig. 8 to be identified. The laser was detuned by (a) 13.760 GHz (peak A, 202gFr) and (b) 20.950 GHz (peak B, 202mFr) relative to the centroid frequency of 221Fr. The laser was tuned onto resonance with peak A (202gFr, 13.760 GHz relative to the centroid frequency of 221Fr) and peak B (202mFr, 20.950 GHz relative to the centroid frequency of 221Fr) of Fig. 8 obtained from ion detection. For each position, an alpha-decay measurement was performed, shown in Fig. 10. The alpha particles emitted when the laser was on resonance with an atomic transition characteristic to 202gFr are shown in blue, and 202mFr in red. Due to the limited statistics of our measurement, and the similarity in energies of the alpha particles (within error), it is impossible to say that alpha particles of different energies are observed in Fig. 10. Firm identification of the hyperfine components can be achieved however by studying the alpha particles emitted by the daughter isotopes 198g,mAt. Evident in the spectrum of 202gFr are the alpha particles emitted from the decay of the daughter nucleus 198gAt with an energy of 6755 keV. Similarly, present in the 202mFr spectrum are the alpha particles from the decay of 198mAt with an energy of 6856 keV. The difference in energy of these two alpha peaks illustrates the ability of the CRIS technique to separate the two states and provide pure ground state and isomeric beams for decay spectroscopy. ### III.3 Isomer identification of the resonance spectrum of 206Fr Figure 11: Collinear resonance ionization spectroscopy of 206Fr relative to 221Fr. (a) Option 1: Peak A is assigned to 206m2Fr and peak B to 206m1Fr. (b) Option 2: Peak A is assigned to 206m1Fr and peak B to 206m2Fr. Two sets of data were used in the determination of the nuclear observables from the hyperfine structure scans. The data for the francium isotopes 202-206,221Fr were taken in Run I and the data for 202-205,221Fr were taken in Run II. Consistency checks were carried out, allowing 206Fr to be evaluated with respect to the rest of the data set from Run II. A detailed description of this analysis can be found in Ref. Lynch (2013). In Run I, no alpha-tagging was available and consequently the peaks in the ion-detected hyperfine spectrum needed to be identified in a different way. Recent measurements of the ground-state hyperfine structure of 206gFr provided the $A_{S_{1/2}}$ factor for the splitting of the 7s 2S1/2 state Voss _et al._ (2013). One peak of the (7+) isomeric state was also identified in this experiment (see Fig. 1(c) of Ref. Voss _et al._ (2013)), allowing the positions of the overlapping resonances to be determined. This left only the identity of peaks A and B (shown in Fig. 11) unknown. Fig. 11(a) presents the hyperfine structures when peak A is assigned to 206m2Fr and peak B to 206m1Fr. Fig. 11(b) shows the fit when peak A is 206m1Fr and peak B is 206m2Fr. The suggested identity of the two resonances (based on mean-square charge radii and $g$-factor systematics) is discussed in Sec. IV. ### III.4 Yield measurements Table 1: Yields of the neutron-deficient francium isotopes at the ISOLDE facility (1.4 GeV protons on a UCx target). The nuclear-state composition of the radioactive beams for 202,204,206Fr are presented. $A$ | Yield | Proportion of beam ---|---|--- | (ions/s) | Spin 3(+) | Spin (7+) | Spin (10-) 202 | $1\times 10^{2}$ | 76(14)% | | 24(6)% 203 | $1\times 10^{3}$ | | | 204 | $1\times 10^{4}$111Estimate based on yield systematics. | 63(3)% | 27(3)% | 10(1)% 205 | $2\times 10^{5}$ | | | 206 | $3\times 10^{6}$ | 63(7)% | 27(5)% | 9(1)% The yields of the neutron-deficient francium isotopes 202-206Fr are presented in Table 1. The quoted yields, scaled ISOLDE-database yields based on an independent yield measurement of 202Fr, can be expected to vary by a factor of two due to different targets. The quoted value for 204Fr is estimated based on francium yields systematics. The composition of the beam for 202,204,206Fr was calculated from the ratio of hyperfine-peak intensities (based on the strongest hyperfine-structure resonance) from the CRIS ion data. The composition of the beam for 202Fr was confirmed with the alpha-decay data measured with the DSS. ### III.5 King-plot analysis Figure 12: A King plot for the extraction of atomic factors $F$ and $M$ for the 422.7-nm transition. See text for details. Table 2: Spins, half-lives, $A_{S_{1/2}}$ factors, isotope shifts, magnetic moments and change in mean-square charge radii of the neutron-deficient francium isotopes 202-206Fr with reference to 221Fr for the 7s 2S1/2 $\rightarrow$ 8p 2P3/2 atomic transition. All $A_{S_{1/2}}$-factor and magnetic-moment values were deduced using the nuclear spins presented. The half-life values are taken from Refs. Lourens (1967); Ritchie _et al._ (1981); Huyse _et al._ (1992); Uusitalo _et al._ (2005); Kondev and Lalkovski (2011); Singh _et al._ (2013); Browne and Tuli (2011). $A$ | $I$ | $t_{1/2}$ (s) | $A_{S_{1/2}}$ (GHz) | $\mu$ ($\mu_{N}$) | $\delta\nu^{A,221}$ (GHz) | $\delta\langle r^{2}\rangle$ (fm2) ---|---|---|---|---|---|--- | | Lit. | Exp. | Lit. | Exp. | Lit. | Exp. | Exp. | Lit. 202g | (3+) | 0.30(5) | +12.80(5) | | +3.90(5) | | 32.68(10) | -1.596(18) | 202m | (10-) | 0.29(5) | +2.30(3) | | +2.34(4) | | 32.57(13) | -1.591(19) | 203 | (9/2-) | 0.53(2) | +8.18(3) | | +3.73(4) | | 31.32(10) | -1.530(18) | 204g222Calculated from the alpha-decay gated hyperfine structure scan of 204Fr. See text for details. | 3(+) | 1.9(5) | +12.99(3) | +13.1499(43)333Literature value taken from Ref. Voss _et al._ (2013). | +3.95(5) | +4.00(5)22footnotemark: 2,444Literature magnetic-moment values re-calculated in reference to $\mu$(210Fr) Gomez _et al._ (2008) | 32.19(10) | -1.571(18) | -1.5542(4)22footnotemark: 2 204m111footnotemark: 1 | (7+) | 1.6(5) | +6.44(3) | | +4.57(6) | | 32.32(10) | -1.577(18) | 204m211footnotemark: 1 | (10-) | 0.8(2) | +2.31(3) | | +2.35(4) | | 30.99(10) | -1.513(17) | 205 | 9/2- | 3.96(4) | +8.40(3) | +8.3550(11)22footnotemark: 2 | +3.83(5) | +3.81(4)22footnotemark: 2,33footnotemark: 3 | 30.21(10) | -1.475(17) | -1.4745(4)22footnotemark: 2 206g | 3(+) | 15.9(3) | +13.12(3) | +13.0522(20)22footnotemark: 2 | +3.99(5) | +3.97(5)22footnotemark: 2,33footnotemark: 3 | 30.04(12) | -1.465(17) | -1.4768(4)22footnotemark: 2 206m1555Based on the isomeric identity of the hyperfine resonances of Option 1. See text for details. | (7+) | 15.9(3) | +6.61(3) | | +4.69(6) | | 30.23(16) | -1.475(18) | 206m244footnotemark: 4 | (10-) | 0.7(1) | +3.50(3) | | +3.55(5) | | 23.57(12) | -1.153(14) | 206m1666Based on the isomeric identity of the hyperfine resonances of Option 2. See text for details. | (7+) | 15.9(3) | +6.74(4) | | +4.79(6) | | 29.69(15) | -1.449(17) | 206m255footnotemark: 5 | (10-) | 0.7(1) | +3.40(3) | | +3.45(5) | | 24.13(12) | -1.180(14) | 207 | 9/2- | 14.8(1) | +8.48(3) | +8.484(1)777Literature value taken from Ref. Coc _et al._ (1985). | +3.87(5) | +3.87(4)33footnotemark: 3,66footnotemark: 6 | 28.42(10) | -1.386(16) | -1.386(3)888Literature value taken from Ref. Dzuba _et al._ (2005). 211 | 9/2- | 186(1) | +8.70(6) | +8.7139(8)66footnotemark: 6 | +3.97(5) | +3.98(5)33footnotemark: 3,66footnotemark: 6 | 24.04(10) | -1.171(13) | -1.1779(4)77footnotemark: 7 220 | 1+ | 27.4(3) | -6.50(4) | -6.5494(9)66footnotemark: 6 | -0.66(1) | -0.66(1)33footnotemark: 3,66footnotemark: 6 | 2.75(10) | -0.134(5) | -0.133(10)77footnotemark: 7 221 | 5/2- | 294(12) | +6.20(3) | +6.2046(8)66footnotemark: 6 | +1.57(2) | +1.57(2)33footnotemark: 3,66footnotemark: 6 | 0 | 0 | The atomic factors $F$ and $M$ were evaluated by the King-plot method King (1963). This combines the previously measured isotope shifts by Coc Coc _et al._ (1985) of the 7s 2S1/2 $\rightarrow$ 7p 2P3/2 transition with 718-nm laser light, with those made by Duong Duong _et al._ (1987) of the 7s 2S1/2 $\rightarrow$ 8p 2P3/2 transition (422.7 nm). The isotope shifts of $\delta\nu^{207,221}$ and $\delta\nu^{211,221}$ from this work were combined with $\delta\nu^{220,221}$ and $\delta\nu^{213,212}$ from Duong. These values were plotted against the corresponding isotope shifts from Coc Coc _et al._ (1985), shown in Fig. 12. From the linear fit of the data, and using $\mu^{A,A^{\prime}}\delta\nu_{422}^{A,A^{\prime}}=\frac{F_{422}}{F_{718}}\mu^{A,A^{\prime}}\delta\nu_{718}^{A,A^{\prime}}+M_{422}-\frac{F_{422}}{F_{718}}M_{718},$ (3) where $\mu^{A,A^{\prime}}=AA^{\prime}/(A^{\prime}-A)$, enabled the evaluation of $F_{422}/F_{718}=+0.995(3)$ and $M_{422}-(F_{422}/F_{718})M_{718}=+837(308)~{}\text{GHz~{}amu}$ respectively. From these values, the atomic factors for the 422.7-nm transition were calculated to be $F_{422}=-20.67(21)\text{~{}GHz/fm}^{2},$ $M_{422}=+750(330)\text{~{}GHz~{}amu}.$ For comparison, the atomic factors evaluated for the 718-nm transition were determined by Dzuba to be $F_{718}=-$20.766(208) GHz/fm2 and $M_{718}=-$85(113) GHz amu Dzuba _et al._ (2005). The mass factor is the linear combination of two components: the normal mass shift, $K^{\textnormal{NMS}}$, and the specific mass shift, $K^{\textnormal{SMS}}$, $M_{422}=K^{\textnormal{NMS}}_{422}+K^{\textnormal{SMS}}_{422},$ (4) and is dependent on the frequency of the transition probed. Subtraction of the normal mass shift of the 422.7-nm transition ($K^{\textnormal{NMS}}_{422}=+389$ GHz amu) from the mass factor $M_{422}$ allows for calculation of the specific mass shift, giving $K^{\textnormal{SMS}}_{422}=+360(330)$ GHz amu. The specific mass shift for the 718-nm line was determined by Dzuba to be $K^{\textnormal{SMS}}_{718}=-314(113)$ GHz amu Dzuba _et al._ (2005). ### III.6 Hyperfine structure observables Table 2 presents the hyperfine $A_{S_{1/2}}$ factor, isotope shift, change in mean-square charge radius and magnetic moment values extracted from the CRIS data for the francium isotopes 202-206Fr with reference to 221Fr. Additional data for 207,211,220Fr (used in the creation of the King plot of Fig. 12) in included for completeness. All values were deduced using the nuclear spins presented. The hyperfine $A_{S_{1/2}}$ factor is defined as $A=\frac{\mu_{I}B_{e}}{I\cdot J},$ (5) with $\mu_{I}$ the magnetic dipole moment of the nucleus and $B_{e}$ the magnetic field of the electrons at the nucleus. For each isotope, it was calculated from the weighted mean of $A_{S_{1/2}}$ values for isotopes where more than one hyperfine structure scan is present. A minimum error of 30 MHz was attributed to the $A_{S_{1/2}}$ factor values due to the scatter of the measured $A_{S_{1/2}}$ for the reference isotope 221Fr Cocolios _et al._ (2013); Lynch _et al._ (2013b). The isotope shift, $\delta\nu^{A,A^{\prime}}$, between isotopes $A$ and $A^{\prime}$ is expressed as $\delta\nu^{A,A^{\prime}}=M\frac{A^{\prime}-A}{AA^{\prime}}+F\delta\langle r^{2}\rangle^{A,A^{\prime}}.$ (6) As with the $A_{S_{1/2}}$ values, the isotope shifts were calculated as the weighted mean of all isotope shifts for a given nucleus. The error on the isotope shift was determined to be 100 MHz due to the long-term drift of the centroid frequency of 221Fr as the experiment progressed, and the scan-to-scan scatter in centroid frequency. When the calculated weighted standard deviation of the isotope shift was higher than 100 MHz, this error is quoted instead. Combining the extracted $F$ and $M$ atomic factors from the King-plot analysis with the measured isotope shifts, evaluation of the change in mean-square charge radii, $\delta\langle r^{2}\rangle^{A,A^{\prime}}$, between francium isotopes can be performed, see Eq. (6). The magnetic moment of the isotopes under investigation can be extracted from the known moment of another isotope of the element, using the ratio $\mu=\mu_{ref}\frac{IA}{I_{ref}A_{ref}}.$ (7) In this work, calculation of the magnetic moments was evaluated in reference to the magnetic moment of 210Fr, measured by Gomez ($\mu=+4.38(5)~{}\mu_{N}$, $I^{\pi}=6^{+}$, $A_{S_{1/2}}=+7195.1(4)$ MHz Gomez _et al._ (2008); Coc _et al._ (1985)). This represents the most accurate measurement of the magnetic moment of a francium isotope to date, due to probing the 9s 2S1/2 hyperfine splitting which has reduced electron-correlation effects than that of the ground state. The current evaluated magnetic moments of the francium isotopes are made in reference to the magnetic moment of 211Fr of Ekström Ekström _et al._ (1986). The hyperfine anomaly for the francium isotopes is generally considered to be of the order of 1% and is included as a contribution to the error of the hyperfine $A_{S_{1/2}}$ factors and magnetic moments Stroke _et al._ (1961). Table 2 presents the experimental results alongside comparison to literature of the hyperfine $A_{S_{1/2}}$ factor, change in mean-square charge radius and magnetic moment values. The literature values for 204-206Fr have been taken from Ref. Voss _et al._ (2013) and 207,211,220,221Fr from Ref. Coc _et al._ (1985). The magnetic-moment values from literature have been re-calculated in reference to $\mu$(210Fr) Gomez _et al._ (2008), the most accurate measurement to date. The change in mean-square charge radii values for 207,211,220Fr have been taken from Ref. Dzuba _et al._ (2005). All experimental results are in broad agreement with those of literature. ## IV Discussion ### IV.1 Charge radii of the neutron-deficient francium Figure 13: Mean-square charge radii of the francium (circle) isotopes Ekström _et al._ (1986) presented alongside the lead (diamond) isotopes Anselment _et al._ (1986). The dashed lines represent the prediction of the droplet model for given iso-deformation Myers and Schmidt (1983). The data were calibrated by using $\beta_{2}$(213Fr)$=0.062$, evaluated from the energy of the $2^{+}_{1}$ state in 212Rn Raman _et al._ (2001). Option 1 and 2 for the (7+) and (10-) states in 206Fr are based on the isomeric identification given in Fig. 11. Located between radon and radium, francium (Z = 87) has 5 valence protons occupying the $\pi$1h9/2 orbital, according to the shell model of spherical nuclei. Below the N = 126 shell closure, the neutron-deficient francium isotopes were studied down to 202Fr (N = 115). The change in mean-square charge radii for the francium and lead isotopes are presented in Fig. 13. The data of francium show the charge radii of 207-213Fr re-evaluated by Dzuba Dzuba _et al._ (2005) alongside the CRIS values which extends the data set to 202Fr. The blue data points show the francium ground states, while the (7+) isomeric states are in green and the (10-) states in red. The error bars attributed to the CRIS values are propagated from the experimental error of the isotope shift and the systematic error associated with the atomic factors $F_{422}$ and $M_{422}$. The systematic error is the most significant contribution to the uncertainty associated with the mean-square charge radii, and not that arising from the isotope shift. The francium data is presented with the lead data of Anselment Anselment _et al._ (1986) to illustrate the departure from the spherical nucleus. The change in mean-square charge radii of the francium isotopes have been overlapped with the charge radii of the lead isotopes, by using 213Fr (N = 126) and 208Pb (N = 126) as reference points. The dashed iso-deformation lines represent the prediction of the droplet model for the francium isotopes Myers and Schmidt (1983). The data were calibrated using $\beta_{2}$(213Fr)$=0.062$, evaluated from the energy of the $2^{+}_{1}$ state in 212Rn Raman _et al._ (2001). The doubly-magic 208Pb represents a model spherical nucleus, with the shape of the nucleus remaining spherical with the removal of neutrons from the closed N = 126 shell. This trend is observed until N = 114, where a small deviation from the spherical droplet model (isodeformation line $\beta_{2}=0.0$) is interpreted as enhanced collectivity due to the influence of particle-hole excitations across the Z = 82 shell closure De Witte _et al._ (2007). The change in mean-square charge radii for the francium isotopes shows agreement with the lead data as the $\nu$3p3/2, $\nu$2f5/2 and $\nu$3p1/2 orbitals are progressively depleted. The deviation from sphericity at N = 116 with 203Fr marks the onset of collective behaviour. The spectroscopic quadrupole moments were not measured in this work, since they require a laser linewidth of $<$100 MHz. Measurement of the quadrupole moment will provide information on the static deformation component of the change in mean-square charge radii, allowing better understanding of this transition region. Figure 14: Mean-square charge radii of the francium (circle) isotopes Ekström _et al._ (1986) presented alongside the radon (diamond) isotopes Borchers _et al._ (1987). The dashed lines represent the prediction of the droplet model for given iso-deformation Myers and Schmidt (1983). The data were calibrated using $\beta_{2}$(213Fr)$=0.062$, evaluated from the energy of the $2^{+}_{1}$ state in 212Rn Raman _et al._ (2001). Option 1 and 2 for the (7+) and (10-) states in 206Fr are based on the isomeric identification given in Fig. 11. Recent laser spectroscopy measurements on the ground-state properties of 204,205,206Fr suggest this deviation occurs earlier, at 206Fr (N = 119) Voss _et al._ (2013). In Ref. Voss _et al._ (2013), a more pronounced odd-even staggering is observed in relation to the lead isotopes, where the mean-square charge radius of 205Fr is larger than that of 206Fr. The CRIS experiment observed a smaller mean-square charge radius of 205Fr in comparison to 206Fr, the deviation from the lead isotopes occurring at 203Fr instead. However, both experiments are in broad agreement within errors down to N = 117. Figure 13 presents the two options of the mean-square charge radii of 206m1Fr and 206m2Fr (as defined by their hyperfine peak identity in Fig. 11). Option 1 is favoured over option 2 due to the smaller mean-square charge radii of 206m1Fr (compared to 206gFr) agreeing with the systematics of the states in 204Fr. As seen in Fig. 13, 206gFr (N = 119) overlaps with the lead data within errors. The large change in the mean-square charge radius of 206m2Fr suggests a highly deformed state for the (10-) isomer. The mean-square charge radii of francium are overlaid with the radon (Z = 86) charge-radii of Borchers (down to N = 116, with the exception of N = 117) Borchers _et al._ (1987) in Fig. 14. The mean-square charge-radii of radon have been calibrated to the francium pair $\delta\langle r^{2}\rangle^{211,213}$ to account for the uncertainty in $F$ and $M$ for the optical transition probed (the original isotope shifts are presented graphically). Despite this, the agreement between the mean-square charge radii of the francium and radon data is clear. The addition of a single $\pi$1h9/2 proton outside the radon even-Z core does not affect the charge-radii trend, suggesting the valence proton acts as a spectator particle. Table 3 presents a comparison of $\beta_{2}$ values with literature. The droplet model Myers and Schmidt (1983) was used to extract the rms values for $\beta_{2}$ (column 3) from the change in mean-square charge radii (calibrated using $\beta_{2}$(213Fr)$=0.062$, as before). Column 4 presents $\beta_{2}$ values extracted from the quadrupole moments of Ref. Voss _et al._ (2013). The larger $\beta_{2}$ values extracted from the mean-square charge radii, compared to those extracted from the quadrupole moments, suggest that the enhanced collectivity observed in Figs. 13 and 14 is due to a large dynamic component of the nuclear deformation. Table 3: Extracted $\beta_{2}$ values. (Exp.) The droplet model Myers and Schmidt (1983) was used to extract the rms values for $\beta_{2}$ from the change in mean-square charge radii. The charge-radii values were calibrated using $\beta_{2}$(213Fr)$=0.062$, as before. (Lit.) $\beta_{2}$ values were extracted from the quadrupole moments of Ref. Voss _et al._ (2013). See text for details. $A$ | $I$ | $\langle\beta_{2}^{2}\rangle^{1/2}$ | $\beta_{2}$ ---|---|---|--- | | Exp. | Lit. 202g | (3+) | 0.11 | 202m | (10-) | 0.11 | 203 | (9/2-) | 0.11 | 204g | 3(+) | 0.06999Calculated from the alpha-decay gated hyperfine structure scan of 204Fr. See text for details. | -0.0140(14) 204m1 | (7+) | 0.0611footnotemark: 1 | 204m2 | (10-) | 0.0911footnotemark: 1 | 205 | 9/2- | 0.08 | -0.0204(2) 206g | 3(+) | 0.05 | -0.0269(8) 206m1 | (7+) | 0.04101010Based on the isomeric identity of the hyperfine resonances of Option 1. See text for details. | 206m2 | (10-) | 0.1722footnotemark: 2 | 202m1 | (7+) | 0.07111111Based on the isomeric identity of the hyperfine resonances of Option 2. See text for details. | 202m2 | (10-) | 0.1733footnotemark: 3 | ### IV.2 Interpretation of the nuclear $g$-factors Figures 15 and 17 show the experimental $g$-factors for odd-A and even-A francium isotopes, respectively. These plots present the CRIS data alongside the data from Ekström Ekström _et al._ (1986). The Ekström data has been re- evaluated with respect to the $\mu$(210Fr) measurement of Gomez Gomez _et al._ (2008). In Fig. 15, the blue line represents the empirical $g$-factor ($g_{emp}$) of the odd-A isotopes for the single-particle occupation of the valence proton in the $\pi$1$h_{9/2}$ orbital. $g_{\text{emp}}$($\pi$1h9/2) was determined from the magnetic moment of the single-particle state in 209Bi Bastug _et al._ (1996). Similarly, $g_{\text{emp}}$($\pi$3s1/2) was estimated from the magnetic moment of the single-hole ground-state in 207Tl Neugart _et al._ (1985). From N = 126 to 116, every isotope has a $g$-factor consistent with the proton occupying the $\pi$1h9/2 orbital. This indicates that the 9/2- state remains the ground state, and the ($\pi$3s${}^{-1}_{1/2}$)${}_{1/2^{+}}$ proton intruder state has not yet inverted. This lowering in energy of the $\pi$3s1/2 state to become the ground state would be apparent in the sudden increase in $g$-factor of the ground state, as illustrated by the black $g_{\text{emp}}$($\pi$3s1/2) line. Figure 15: $g$-factors for francium (blue) Ekström _et al._ (1986); Gomez _et al._ (2008) and thallium (red) isotopes with odd-A Stone (2011). The $g$-factors for the $\pi$3s1/2 and $\pi$1h9/2 proton orbitals have been calculated empirically. See text for details. Figure 15 highlights the robustness of the Z = 82 and N = 126 shell closure with a shell-model description valid over a range of isotopes. A close-up of $g_{\text{emp}}$(1$\pi$1h9/2) in Fig. 16 illustrates that the $g$-factor is sensitive to bulk nuclear effects. The departure from the $g_{\text{emp}}$(1$\pi$1h9/2) line shows the sensitivity of the $g$-factor to second-order core polarization in the odd-A thallium, bismuth and francium isotopes. The systematic decrease in $g$-factor of francium is attributed to second-order core polarization associated with the presence of five valence particles, compared to one-particle (hole) in the bismuth (thallium) isotopes, enough to significantly weaken the shell closure. The linear trend observed in bismuth, thallium and francium (until N = 118) is suggested to be related to the opening of the neutron shell, yet allowing for more neutron and proton- neutron correlations. Figure 16: Close up of the $g$-factors for francium (blue) Ekström _et al._ (1986); Gomez _et al._ (2008), bismuth (green) Stone (2011) and thallium (red) isotopes Barzakh _et al._ (2012) with odd-A. The $g$-factor for the $\pi$1h9/2 proton orbital has been calculated empirically. See text for details. Further measurements towards the limit ./of stability are needed to better understand the prediction of the inversion of the $\pi$3s1/2 intruder orbital with the $\pi$1h9/2 ground state. A re-measurement of 203Fr could determine the presence of the spin 1/2+ isomer (t1/2 = 43(4) ms Jakobsson _et al._ (2013)), which was not observed during this experiment. The $g$-factors for the odd-odd francium isotopes are presented in Fig. 17. With the coupling of the single valence proton in the $\pi$1$h_{9/2}$ orbital with a valence neutron, a large shell model space is available. The empirically calculated $g$-factors for the coupling of the $\pi$1h9/2 proton with the valence neutrons are denoted by the colored lines. These $g$-factors were calculated from the additivity relation $g=\frac{1}{2}\Big{[}g_{p}+g_{n}+(g_{p}-g_{n})\frac{j_{p}(j_{p}+1)-j_{n}(j_{n}+1)}{I(I+1)}\Big{]},$ (8) as outlined by Neyens Neyens (2003). The empirical $g$-factors of the odd valence neutrons were calculated from the magnetic moments of neighbouring nuclei: 201Po for the blue $g_{\text{emp}}$($\pi$1h${}_{9/2}\otimes\nu$3p3/2) and red $g_{\text{emp}}$($\pi$1h${}_{9/2}\otimes\nu$1i13/2) line Wouters _et al._ (1991); 213Ra for the black $g_{\text{emp}}$($\pi$1h${}_{9/2}\otimes\nu$3p1/2) line; and 211Ra for the green $g_{\text{emp}}$($\pi$1h${}_{9/2}\otimes\nu$2f5/2) line Ahmad _et al._ (1983). The empirical $g$-factors for the valence proton in the $\pi$1h9/2 orbital were calculated from the magnetic moment of the closest odd-A francium isotope (203Fr and 213Fr respectively) from the CRIS data. The ground state of 202,204,206Fr display similar $g$-factors, with the valence proton and neutron coupling to give a spin 3(+) state. The tentative configuration in literature of ($\pi$1h${}_{9/2}\otimes\nu$2f5/2)${}_{3^{+}}$ for 202gFr is based on the configuration of the (3+) state in 194Bi (from favoured Fr-At-Bi alpha-decay chain systematics) Zhu and Kondev (2008). Similarly, the assignment of the same configuration for 204gFr and 206gFr is based on the alpha-decay systematics of neighbouring nuclei 196,198Bi. However, the initial assignment of 194gBi was declared to be either ($\pi$1h${}_{9/2}\otimes\nu$2f5/2)${}_{3^{+}}$ or ($\pi$1h${}_{9/2}\otimes\nu$3p3/2)${}_{3^{+}}$ Duppen _et al._ (1991). From the $g$-factors of the ground states of 202,204,206Fr, it is clear that the configuration of these states is indeed ($\pi$1h${}_{9/2}\otimes\nu$3p3/2)${}_{3^{+}}$. Figure 17 also presents the $g$-factors of 206m1Fr and 206m2Fr for option 1 and 2 (see Fig. 11). The first isomeric states of 204,206Fr (7+) have a valence neutron that occupies the $\nu$2$f_{5/2}$ state. This coupling of the proton-particle neutron-hole results in a ($\pi$1h${}_{9/2}\otimes\nu$2f5/2)${}_{7^{+}}$ configuration Kondev (2008). For 202mFr, 204m2Fr and 206m2Fr, the particle proton-neutron hole coupling result in a tentative ($\pi$1h${}_{9/2}\otimes\nu$1i13/2)${}_{10^{-}}$ configuration assignment for each isomer Chiara and Kondev (2010). However, while the agreement of the $g$-factors of the spin (10-) state in 202,204Fr point to a $\nu$1$i_{13/2}$ occupancy, the observed value for 206m2Fr is in disagreement with the $g$-factor of such a (10-) state. The charge radius of 206m2Fr indicates a highly deformed configuration, where the single-particle description of the nucleus is no longer valid. This is consistent with the $g$-factor of this state: it is no longer obeying a simple shell-model description. This leads to the conclusion, that while a ($\pi$1h${}_{9/2}\otimes\nu$1i13/2)${}_{10^{-}}$ configuration for 206m2Fr is suggested, the charge radii and magnetic moment point to a drastic change in the structure of this isomeric state. Figure 17: $g$-factors for francium isotopes with even-A Ekström _et al._ (1986): ground state (blue), spin (7+) state (green) and spin (10-) state (red). The $g$-factor for the coupling of the proton and neutron orbitals have been calculated empirically. See text for details. For completeness, the configurations of the odd-odd francium isotopes 208,210,212Fr are presented. The coupling of the valence proton and neutron in the $\pi$1h9/2 and $\nu$2f5/2 orbital in 208Fr and 210Fr leads to a ($\pi$1h${}_{9/2}\otimes\nu$2f5/2)${}_{7^{+}}$ and ($\pi$1h${}_{9/2}\otimes\nu$2f5/2)${}_{6^{+}}$ configuration respectively Martin (2007). With the $\nu$2f5/2 neutron orbital fully occupied, the valence neutron in 212Fr occupies the $\nu$3p1/2 orbital, resulting in a ($\pi$1h${}_{9/2}\otimes\nu$3p1/2)${}_{5^{+}}$ configuration Browne (2005). The agreement of the experimental and empirical $g$-factors, as shown in Figs. 15-17, illustrates the suitability of the single-particle description of the neutron-deficient francium isotopes, with the exception of the (10-) state in 206m2Fr. A model-independent spin and spectroscopic quadrupole moment determination is needed to clarify the nature of this isomeric state. The neutron-deficient francium isotopes display a single-particle nature where the additivity relation is still reliable. ## V Conclusion and Outlook The hyperfine structures and isotope shifts of the neutron-deficient francium isotopes 202-206Fr with reference to 221Fr were measured with collinear resonance ionisation spectroscopy, and the change in mean-square charge radii and magnetic moments extracted. The selectivity of the alpha-decay patterns allowed the unambiguous identification of the hyperfine components of the low- lying isomers of 202,204Fr for the first time. The resonant atomic transition of 7s 2S${}_{1/2}\rightarrow$ 8p 2P3/2 was probed, and the hyperfine $A_{S_{1/2}}$ factor measured. A King plot analysis of the 422.7-nm transition in francium allowed the atomic factors to be calibrated. The field and mass factors were determined to be F422 = $-$20.670(210) GHz/fm2 and M422 = +750(330) GHz amu, respectively. The novel technique of decay-assisted laser spectroscopy in a collinear geometry was performed on the isotopes 202,204Fr. The decay spectroscopy station was utilized to identify the peaks in the hyperfine spectra of 202,204Fr. Alpha-tagging the hyperfine structure scan of 204Fr allowed the accurate determination of the nuclear observables of the three low-lying isomeric states and the determination of the branching ratios in the decay of 204m2Fr. Analysis of the change in mean-square charge radii suggests an onset of collectivity that occurs at 203Fr (N = 116). However, measurement of the spectroscopic quadrupole moment is required to determine the nature of the deformation (static or dynamic). The magnetic moments suggest that the single- particle description of the neutron-deficient francium isotopes still holds, with the exception of the (10-) isomeric state of 206m2Fr. Based on the systematics of the region, the tentative assignment of the hyperfine structure peaks in 206Fr result in magnetic moments and mean-square charge radii that suggest a highly deformed state. Laser assisted nuclear decay spectroscopy of 206Fr would unambiguously determine their identity. The occupation of the valence proton in the $\pi$1h9/2 orbital has been suggested for all measured isotopes down to 202Fr, indicating the ($\pi$1s${}_{1/2}^{-1}$)${}_{1/2^{+}}$ intruder state does not yet invert with the $\pi$1h9/2 orbital as the ground state. Further measurements of the very neutron-deficient francium isotopes towards 199Fr are required to fully determine the nature of the proton-intruder state. A laser linewidth of 1.5 GHz was enough to resolve the lower-state (7s 2S1/2) splitting of the hyperfine structure and measure the $A_{S_{1}/2}$ factor. In the future, the inclusion of a narrow-band laser system for the resonant-excitation step will enable the resolution of the upper-state (8p 2P3/2) splitting, providing the hyperfine $B_{P_{3/2}}$ factor. This will allow extraction of the spectroscopic quadrupole moment and determination of the nature of the deformation. Successful measurement of 202Fr was performed during this experiment, with a yield of 100 atoms per second. By pushing the limits of laser spectroscopy, further measurements of 201Fr (with a yield of 1 atom per second) and 200Fr (less than 1 atom per second) are thought to be possible. The ground state (9/2-) of 201Fr has a half life of 53 ms and its isomer (1/2+) a half life of 19 ms. By increasing the sensitivity of the CRIS technique, the presence of the 1/2+ isomers in 201,203Fr can be confirmed. A positive identification will lead to nuclear-structure measurements that will determine (along with the verification of nuclear spin) the magnetic moments which are sensitive to the single-particle structure and thus to the ($\pi$3s1/2)${}_{1/2^{+}}$ proton intruder nature of these states. With sufficient resolution ($<$100 MHz), the spectroscopic quadrupole moment of these neutron-deficient states (with $I\geq 1$) will be directly measurable and the time-averaged static deformation can be determined. The successful measurements performed by the CRIS experiment demonstrates the high sensitivity of the collinear resonance ionization technique. The decay spectroscopy station provides the ability to identify overlapping hyperfine structure and eventually perform laser assisted nuclear decay spectroscopy measurements on pure ground and isomeric-state beams Lynch _et al._ (2012, 2013a). ## Acknowledgements The authors extend their thanks to the ISOLDE team for providing the beam, the GSI target lab for producing the carbon foils, and IKS-KU Leuven and The University of Manchester machine shops for their work. This work was supported by the IAP project P7/23 of the OSTC Belgium (BRIX network) and by the FWO- Vlaanderen (Belgium). The Manchester group was supported by the STFC consolidated grant ST/F012071/1 and continuation grant ST/J000159/1. K.T. Flanagan was supported by STFC Advanced Fellowship Scheme grant number ST/F012071/1. The authors would also like to thank Ed Schneiderman for continued support through donations to the Physics Department at NYU. ## References * Cheal and Flanagan (2010) B. Cheal and K. T. Flanagan, J. 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arxiv-papers
2014-02-18T09:50:18
2024-09-04T02:49:58.367386
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "K. M. Lynch, J. Billowes, M. L. Bissell, I. Budin\\v{c}evi\\'c, T.E.\n Cocolios, R.P. De Groote, S. De Schepper, V.N. Fedosseev, K.T. Flanagan, S.\n Franchoo, R.F. Garcia Ruiz, H. Heylen, B.A. Marsh, G. Neyens, T.J. Procter,\n R.E. Rossel, S. Rothe, I. Strashnov, H.H. Stroke, K.D.A. Wendt", "submitter": "Kara Lynch", "url": "https://arxiv.org/abs/1402.4266" }
1402.4430
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2014-023 LHCb-PAPER-2013-070 April 30, 2014 Measurement of charged particle multiplicities and densities in $pp$ collisions at $\sqrt{s}=7\;$TeV in the forward region The LHCb collaboration†††Authors are listed on the following pages. Charged particle multiplicities are studied in proton-proton collisions in the forward region at a centre-of-mass energy of $\sqrt{s}=7\;$TeV with data collected by the LHCb detector. The forward spectrometer allows access to a kinematic range of $2.0<\eta<4.8$ in pseudorapidity, momenta greater than $2\;\mbox{GeV/}c$ and transverse momenta greater than $0.2\;\mbox{GeV/}c$. The measurements are performed using events with at least one charged particle in the kinematic acceptance. The results are presented as functions of pseudorapidity and transverse momentum and are compared to predictions from several Monte Carlo event generators. Submitted to European Physical Journal C © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij41, B. Adeva37, M. Adinolfi46, A. Affolder52, Z. Ajaltouni5, J. Albrecht9, F. Alessio38, M. Alexander51, S. Ali41, G. Alkhazov30, P. Alvarez Cartelle37, A.A. Alves Jr25, S. Amato2, S. Amerio22, Y. Amhis7, L. Anderlini17,g, J. Anderson40, R. Andreassen57, M. Andreotti16,f, J.E. Andrews58, R.B. Appleby54, O. Aquines Gutierrez10, F. Archilli38, A. Artamonov35, M. Artuso59, E. Aslanides6, G. Auriemma25,n, M. Baalouch5, S. Bachmann11, J.J. Back48, A. Badalov36, V. Balagura31, W. Baldini16, R.J. Barlow54, C. Barschel39, S. Barsuk7, W. Barter47, V. Batozskaya28, Th. Bauer41, A. Bay39, J. Beddow51, F. Bedeschi23, I. Bediaga1, S. Belogurov31, K. Belous35, I. Belyaev31, E. Ben-Haim8, G. Bencivenni18, S. Benson50, J. Benton46, A. Berezhnoy32, R. Bernet40, M.-O. Bettler47, M. van Beuzekom41, A. Bien11, S. Bifani45, T. Bird54, A. Bizzeti17,i, P.M. Bjørnstad54, T. Blake48, F. Blanc39, J. Blouw10, S. Blusk59, V. Bocci25, A. Bondar34, N. Bondar30, W. Bonivento15,38, S. Borghi54, A. Borgia59, M. Borsato7, T.J.V. Bowcock52, E. Bowen40, C. Bozzi16, T. Brambach9, J. van den Brand42, J. Bressieux39, D. Brett54, M. Britsch10, T. Britton59, N.H. Brook46, H. Brown52, A. Bursche40, G. Busetto22,r, J. Buytaert38, S. Cadeddu15, R. Calabrese16,f, O. Callot7, M. Calvi20,k, M. Calvo Gomez36,p, A. Camboni36, P. Campana18,38, D. Campora Perez38, A. Carbone14,d, G. Carboni24,l, R. Cardinale19,j, A. Cardini15, H. Carranza-Mejia50, L. Carson50, K. Carvalho Akiba2, G. Casse52, L. Cassina20, L. Castillo Garcia38, M. Cattaneo38, Ch. Cauet9, R. Cenci58, M. Charles8, Ph. Charpentier38, S.-F. Cheung55, N. Chiapolini40, M. Chrzaszcz40,26, K. Ciba38, X. Cid Vidal38, G. Ciezarek53, P.E.L. Clarke50, M. Clemencic38, H.V. Cliff47, J. Closier38, C. Coca29, V. Coco38, J. Cogan6, E. Cogneras5, P. Collins38, A. Comerma-Montells36, A. Contu15,38, A. Cook46, M. Coombes46, S. 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Zvyagin38. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Milano, Milano, Italy 22Sezione INFN di Padova, Padova, Italy 23Sezione INFN di Pisa, Pisa, Italy 24Sezione INFN di Roma Tor Vergata, Roma, Italy 25Sezione INFN di Roma La Sapienza, Roma, Italy 26Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 27AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 28National Center for Nuclear Research (NCBJ), Warsaw, Poland 29Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 30Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 31Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 32Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 33Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 34Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 35Institute for High Energy Physics (IHEP), Protvino, Russia 36Universitat de Barcelona, Barcelona, Spain 37Universidad de Santiago de Compostela, Santiago de Compostela, Spain 38European Organization for Nuclear Research (CERN), Geneva, Switzerland 39Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 40Physik-Institut, Universität Zürich, Zürich, Switzerland 41Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 42Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 43NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 44Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 45University of Birmingham, Birmingham, United Kingdom 46H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 47Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 48Department of Physics, University of Warwick, Coventry, United Kingdom 49STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 50School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 51School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 52Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 53Imperial College London, London, United Kingdom 54School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 55Department of Physics, University of Oxford, Oxford, United Kingdom 56Massachusetts Institute of Technology, Cambridge, MA, United States 57University of Cincinnati, Cincinnati, OH, United States 58University of Maryland, College Park, MD, United States 59Syracuse University, Syracuse, NY, United States 60Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 61Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 62National Research Centre Kurchatov Institute, Moscow, Russia, associated to 31 63Instituto de Fisica Corpuscular (IFIC), Universitat de Valencia-CSIC, Valencia, Spain, associated to 36 64KVI - University of Groningen, Groningen, The Netherlands, associated to 41 65Celal Bayar University, Manisa, Turkey, associated to 38 aUniversidade Federal do Triângulo Mineiro (UFTM), Uberaba-MG, Brazil bP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia cUniversità di Bari, Bari, Italy dUniversità di Bologna, Bologna, Italy eUniversità di Cagliari, Cagliari, Italy fUniversità di Ferrara, Ferrara, Italy gUniversità di Firenze, Firenze, Italy hUniversità di Urbino, Urbino, Italy iUniversità di Modena e Reggio Emilia, Modena, Italy jUniversità di Genova, Genova, Italy kUniversità di Milano Bicocca, Milano, Italy lUniversità di Roma Tor Vergata, Roma, Italy mUniversità di Roma La Sapienza, Roma, Italy nUniversità della Basilicata, Potenza, Italy oAGH - University of Science and Technology, Faculty of Computer Science, Electronics and Telecommunications, Kraków, Poland pLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain qHanoi University of Science, Hanoi, Viet Nam rUniversità di Padova, Padova, Italy sUniversità di Pisa, Pisa, Italy tScuola Normale Superiore, Pisa, Italy uUniversità degli Studi di Milano, Milano, Italy ## 1 Introduction The phenomenology of soft quantum chromodynamic (QCD) processes such as light particle production in proton-proton ($pp$) collisions cannot be predicted using perturbative calculations, but can be described by models implemented in Monte Carlo event generators. The calculation of the fragmentation and hadronization processes as well as the modelling of the final states [1, 2] arising from the soft component of a collision (underlying event) are treated differently in the various event generators. The phenomenological models contain parameters that need to be tuned depending on the collision energy and colliding particles species. This is typically achieved using soft QCD measurements. The LHCb collaboration reported measurements on energy flow [3], production cross-sections [4, 5] and production ratios of various particle species [6] in the forward region, all of which provide information for event generator optimization. A fundamental input used for the tuning process is the measurement of prompt charged particle multiplicities. In combination with the study of the corresponding momentum spectra and angular distributions, these measurements can be used to gain a better understanding of hadron collisions. An accurate description of the underlying event is vital for understanding backgrounds in beyond the Standard Model searches or precision measurements of the Standard Model parameters. Previous measurements of charged particle multiplicities performed with $pp$ collisions at the Large Hadron Collider (LHC) were reported by the ATLAS [7, 8], CMS [9] and ALICE [10, 11] collaborations. All of these measurements were performed in the central pseudorapidity region. The forward region was studied with the LHCb detector, where an inclusive multiplicity measurement without momentum information was performed [12]. In this paper, $pp$ interactions at a centre-of-mass energy of $\sqrt{s}=7\;$TeV that produce at least one prompt charged particle in the pseudorapidity range of $2.0<\eta<4.8$, with a momentum of $\mbox{$p$}>2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and transverse momentum of $\mbox{$p_{\rm T}$}>0.2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, are studied. A prompt particle is defined as a particle that either originates directly from the primary vertex or from a decay chain in which the sum of mean lifetimes does not exceed $10{\rm\,ps}$. As a consequence, decay products of beauty and charm hadrons are treated as prompt particles. The information from the full tracking system of the LHCb detector is used, which permits the measurement of the momentum dependence of charged particle multiplicities. Multiplicity distributions, $P(n)$, for prompt charged particles are reported for the total accessible phase space region as well as for $\eta$ and $p_{\rm T}$ ranges. In addition, mean particle densities are presented as functions of transverse momentum, $dn/d\mbox{$p_{\rm T}$}$, and of pseudorapidity, $dn/d\eta$. The paper is organised as follows. In Sect. 2 a brief description of the LHCb detector and an overview of track reconstruction algorithms are provided. The recorded data set and Monte Carlo simulations are described in Sect. 3, followed by a discussion of the definition of visible event and the data selection in Sect. 4. The analysis method is described in Sect. 5, and systematic uncertainties are given in Sect. 6. The final results are compared to event generator predictions in Sects. 7 and 8, before summarising in Sect. 9. ## 2 LHCb detector and track reconstruction The LHCb detector [13] is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. The detector includes a high-precision tracking system consisting of a silicon-strip vertex detector (VELO) surrounding the $pp$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes placed downstream. The combined tracking system provides a momentum measurement with relative uncertainty that varies from 0.4 % at 2${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6 % at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and impact parameter resolution of 20$\,\upmu\rm m$ for tracks with large transverse momentum. The direction of the magnetic field of the spectrometer dipole magnet is reversed regularly. Different types of charged hadrons are distinguished by information from two ring-imaging Cherenkov detectors. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating- pad and preshower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers. The trigger consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage, which applies full event reconstruction. The reconstruction algorithms provide different track types depending on the sub-detectors considered. Only two types of tracks are used in this analysis. VELO tracks are only reconstructed in the VELO sub-detector and provide no momentum information. Long tracks are reconstructed by extrapolating VELO tracks through the magnetic dipole field and matching them with hits in the downstream tracking stations, providing momentum information. This is the highest-quality track type and is used for most physics analyses. Requiring charged particles to stay within the geometric acceptance of the LHCb detector after deflection by the magnetic field further restricts the accessible phase space to a minimum momentum of around $2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. The LHCb detector design minimizes the material of the tracking detectors and allows a high track-reconstruction efficiency even for particles with low momenta. However, the limited number of tracking stations results in the presence of misreconstructed (fake) tracks. A reconstructed track is considered as fake if it does not correspond to the trajectory of a genuine charged particle. The fraction of fake long tracks is non-negligible as the extrapolation of a track through the magnetic field is performed over a distance of several metres, resulting in wrong association between VELO tracks and track segments reconstructed downstream. Another source of wrong track assignment arises from duplicate tracks. These track pairs either share a certain number of hits or consist of different track segments originating from a single particle. ## 3 Data set and simulation The measurements are performed using a minimum-bias data sample of $pp$ collisions at a centre-of-mass energy of $\sqrt{s}$ =7$\mathrm{\,Te\kern-1.00006ptV}$ collected during 2010. In this low- luminosity running period, the average number of interactions in the detector acceptance per recorded bunch crossing was less than $0.1$. The contribution from bunch crossings with more than one collision (pile-up events) is determined to be less than $4\,\%$ and is considered as a correction in the analysis. The data consists of 3 million events recorded in equal proportion for both magnetic field polarities. The low luminosity and interaction rate of the proton beams allowed the LHCb detector to be operated with a simplified trigger scheme. For the minimum-bias data set of this analysis, the hardware stage of the trigger system accepted all events, which were then reconstructed by the higher-level software trigger. Events with at least one reconstructed track segment in the VELO were selected. Fully simulated minimum-bias $pp$ collisions are generated using the Pythia 6.4 event generator [14] with a specific LHCb configuration [15] using CTEQ6L [16] parton density functions (PDFs). This implementation, called the LHCb tune, contains contributions from elastic and inelastic processes, where the latter also include single and double diffractive components. Decays of hadrons are performed by EvtGen [17], in which final-state radiation is generated using Photos [18]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [19, *Agostinelli:2002hh], as described in Ref. [21]. Processing, reconstruction and selection are identical for simulated events and data. The simulation is used to determine correction factors for the detector acceptance and resolution as well as for quantifying background contributions and reconstruction performance. The measurements are compared to predictions of two classes of generators, those that have not been optimized using LHC data and those that have. The former includes the Perugia 0 and Perugia NOCR [22] tunes of Pythia 6, both of which rely on CTEQ5L [23] PDFs, and the Phojet event generator [24]. Phojet describes soft-particle production by relying on the dual-parton model [2], which comprises semi-hard processes modelled by parton scattering and soft processes modelled by pomeron exchange. Pythia 8 [25] is available in both classes. An early version of Pythia 8 is represented by version 8.145. In more recent versions, the default configuration has been changed to Tune 4C, which is based on LHC measurements in the central rapidity region. Both Pythia 8 versions utilize the CTEQ5L PDFs. The results of the latest available version, Pythia 8.180, are used to represent Tune 4C. Pythia 8.180, together with recent versions of Herwig++ [26], represent the class of recent event generators. In contrast to the Pythia generator, where hadronisation is described by the Lund string fragmentation, the Herwig++ generator relies on cluster fragmentation and the preconfinement properties of parton showers. Predictions of two versions of Herwig++ are chosen, each operated in the minimum-bias configuration, which uses the respective default underlying-event tune. For Herwig++ version 2.6.3, this corresponds to tune UE-EE-4-MRST (UE-4), while version 2.7.0 [27] relies on tune UE-EE-5-MRST (UE-5). Both tunes were also optimized to reproduce LHC measurements in the central rapidity region and rely on the MRST LO** [28] PDF set. ## 4 Event definition and data selection In analogy with similar approaches adopted in previous measurements [8, 11], an event is defined as visible if it contains at least one charged particle in the pseudorapidity range of $2.0<\eta<4.8$ with $\mbox{$p_{\rm T}$}>0.2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $\mbox{$p$}>2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. These criteria correspond to the typical kinematic requirements for particles traversing the magnetic field and reaching the downstream tracking stations. In order to compare the data directly to predictions from Monte Carlo generators without having a full detector simulation, the visibility definition is based on the actual presence of real charged particles, regardless of whether they are reconstructed as tracks or not. The tracks are corrected for detector and reconstruction effects to obtain the distribution of charged particles produced in $pp$ collisions. Only tracks traversing the full tracking system are considered. The kinematic criteria are explicitly applied to all tracks to restrict the measurement to a kinematic range in which reconstruction efficiency is high. The track reconstruction requires a minimum number of detector hits and a successful track fit. To retain high reconstruction efficiency, no additional quality requirement for suppressing the contribution from misreconstructed tracks is applied. To ensure that tracks originate from the primary interaction, it is required that the smallest distance of the extrapolated track to the beam line is less than $2\rm\,mm$. The position of the beam line is determined independently for each data taking period from events with reconstructed primary vertices. Additionally, a track is required to originate from the luminous region; the distance $z_{0}$ of the track to the centre of this region has to fulfil $z_{0}<3\sigma_{\text{L}}$, where the width $\sigma_{\text{L}}$ is of the order of $40\rm\,mm$, determined from a Gaussian fit to the longitudinal position of primary vertices. This restriction also suppresses the contamination from beam-gas background interactions to a negligible amount. The distribution of the $z$-position of tracks at the closest point to the beam line shows that in both high-multiplicity and single-track events, beam- gas interactions are distributed over the entire $z$-range of the VELO, whereas the distribution of tracks originating from $pp$ collisions peaks in the luminous region. There is no explicit requirement for a reconstructed primary vertex in this analysis. Together with the chosen definition of a visible event, this allows the measurement to also be performed for events with only single particles in the acceptance. ## 5 Analysis The measured particle multiplicity distributions and mean particle densities are corrected in four steps: (1) reconstructed events are corrected on an event-by-event basis by weighting each track according to a purity factor to account for the contamination from reconstruction artefacts and non-prompt particles; (2) the event sample is further corrected for unobserved events that fulfil the visibility criteria but in which no tracks are reconstructed; (3) in order to obtain measurements for single $pp$ collisions, a correction to remove pile-up events is applied; (4) the effects of various sources of inefficiencies, such as track reconstruction, are addressed. While correction factors for the multiplicity distributions and mean particle densities are the same, their implementation differs and is discussed in the following. ### 5.1 Correction for reconstruction artefacts and non-prompt particles The selected track sample includes three significant categories of impurities: approximately $6.5\,\%$ are fake tracks, less than $1\,\%$ are duplicate tracks and about $4.5\,\%$ are tracks from non-prompt particles. The individual contributions are determined using fully simulated events. Henceforth, all impurity categories are collectively referred to as background tracks. The probability of reconstructing a fake track, $\mathcal{P}_{\text{fake}}$, is dependent on the occupancy of the tracking detectors and on the track parameters. The occupancy dependence is determined as a function of the track multiplicity measured by the VELO and as a function of the number of hits in the downstream tracking stations. This accounts for the increasing probability of reconstructing a fake track depending on the number of hits in each of the tracking devices involved. $\mathcal{P}_{\text{fake}}$ also depends on $\eta$ and $p_{\rm T}$; this is taken into account in an overall four-dimensional parametrisation. Duplicate tracks are reconstruction artefacts, they have only a weak dependence on tracking-detector occupancy but exhibit a pronounced kinematic dependence. The probability of reconstructing a duplicate track, $\mathcal{P}_{\text{dup}}$, is estimated as a function of $\eta$, $p_{\rm T}$ and VELO track multiplicity. The probability that a non-prompt particle is selected, $\mathcal{P}_{\text{sec}}$, is also estimated as a function of the same variables as for duplicate tracks. The predominant contribution is due to material interaction, such as photon conversion, and depends on the amount of material traversed in the detector. Low $p_{\rm T}$ particles are more affected. For each track, a combined impurity probability, $\mathcal{P}_{\text{bkg}}$, is calculated, which is the sum of the three contamination types, $\mathcal{P}_{\text{bkg}}=\mathcal{P}_{\text{fake}}+\mathcal{P}_{\text{dup}}+\mathcal{P}_{\text{sec}}$, and depends on the kinematic properties of the track, the occupancy of the tracking detectors and the track multiplicity. When measuring the mean particle densities, it is sufficient to assign a per-track weighting factor of $(1-\mathcal{P}_{\text{bkg}})$ to correct for the impurities mentioned above. However, correcting particle multiplicity distributions in the same way would lead to non-physical fractional event multiplicities. To obtain the background-subtracted multiplicity distributions, the procedure described below is applied. The description only corresponds to the full kinematic range, but the procedure is performed in each of the $\eta$ and $p_{\rm T}$ sub-ranges separately. The impurity probability, $\mathcal{P}_{\text{bkg},i}$, of each track, is summed for all tracks in an event to obtain a total event impurity correction, $\mu_{\text{ev}}$. This corresponds to a mean number of expected background tracks in the event and permits to calculate the probability to reconstruct a certain number of background tracks in each event, assuming Poisson statistics. The number of background tracks $k$ in an event with $n_{\text{ev}}$ observed tracks obeys the probability distribution $\mathcal{P}_{\text{bkg}}(\mu_{\text{ev}},k)=\frac{\mu_{\text{ev}}^{k}}{k!}e^{-\mu_{\text{ev}}},\;\;\text{with}\;\;\mu_{\text{ev}}=\sum_{i=1}^{n_{\text{ev}}}\mathcal{P}_{\text{bkg},i}.$ (1) From this relation we derive the probability that an event contains a given number of real prompt particles. Summing the normalized probability distribution of all events we obtain the multiplicity distribution corrected for background tracks. ### 5.2 Correction for undetected events Defining a visible event based on the properties of the actual charged particles present in the event rather than on the reconstructed tracks introduces a fraction of spuriously undetected events. These are events that should be visible but contain no reconstructed tracks and thus remain undetected. These unobserved events are most likely to occur when few charged particles are within the kinematic acceptance. The reconstruction of a track can fail due to multiple scattering, material interaction, or inefficiencies of the detector or of the reconstruction algorithms. In order to determine the amount of undetected events that nevertheless fulfil the visibility definition, a data-driven approach is adopted. The true multiplicity distribution for visible events, $T(n)$, where $n$ is the number of charged particles, starts at $n=1$. Since some of these events have no reconstructed tracks, they follow a multiplicity distribution $U(n)$ starting from $n=0$. As an event can only be detected if at least one track is reconstructed, $U(0)$ cannot be determined directly. However, the number of undetected events can be estimated from the observed uncorrected distribution $U(n)$, if the average survival probability, $\mathcal{P}_{sur}$, for a single particle in the kinematic acceptance is known. Assuming that the survival probability, which is determined from simulation, is independent for two or more particles, the observed distribution is approximated in terms of the still unknown actual multiplicity distribution $T$ $U(k)=\sum\limits_{n\geq k}\binom{n}{k}\mathcal{P}_{sur}^{k}(1-\mathcal{P}_{sur})^{n-k}T(n).$ (2) This equation is only valid under the assumption that reconstruction artefacts, such as fake tracks, which increase the number of observed tracks with respect to the number of true tracks, can be ignored. Following this approach, an event with a certain number of particles is only reconstructed with the same number of tracks or fewer, but not with more tracks. The uncertainties due to these assumptions are evaluated in simulation and are accounted for as systematic uncertainties. Equation 2 allows $U(0)$ to be estimated from the true distribution $T$. All actual elements $T(k)$ can also be expressed using the corresponding uncorrected measured bin $U(k)$ and correction terms of $T(n)$ at higher values of $n>k$, $\begin{split}&U(0)\approx\displaystyle\sum\limits_{k=1}^{\rm{r}}(1-\mathcal{P}_{sur})^{k}T(k)\text{ \; with}\\\ &T(k)\approx\frac{U(k)}{\mathcal{P}_{sur}^{k}}-\displaystyle\sum\limits_{n=k+1}^{k+\rm{r}}\binom{n}{k}(1-\mathcal{P}_{sur})^{n-k}T(n).\\\ \end{split}$ (3) Combining the formulas in Eq. 3 results in a recursive expression for $U(0)$, which can be calculated numerically up to a given order $r$. The procedure is tested in simulation, where the estimated and actual fractions of undetected events agree within an uncertainty of $13\,\%$. This is considered as a systematic uncertainty related to the assumptions made in the calculation. The fraction of undetected events obtained for data is $2.3\,\%$ compared to $3.1\,\%$ in simulation. The fraction estimated in data is added to the measured multiplicity distributions and is also considered in the event normalisation of the mean particle density measurement. ### 5.3 Pile-up correction The average number of interactions per bunch crossing in the selected data taking period is small, resulting in a limited bias from pile-up. The measured particle multiplicity distributions are mainly composed of single $pp$ collisions and a small fraction of additional second $pp$ collisions. Therefore events with larger pile-up can be neglected. To obtain the particle multiplicity distribution of single $pp$ collisions the iterative approach used in Ref. [12] is applied. The procedure typically converges after two iterations when the change of the multiplicity distribution is of the order of the statistical uncertainty. The pile-up correction changes the mean value of the multiplicity distribution by $3.3\,\%$. The measurements of the mean particle density are normalised to the total number of $pp$ collisions. ### 5.4 Efficiency correction and unfolding procedure The final correction step accounts for limited efficiencies due to detector acceptance $(\epsilon_{\text{acc}})$ in the kinematic range of $2.0<\eta<4.8$ and track reconstruction $(\epsilon_{\text{tr}})$. For particles fulfilling the kinematic requirements, the detector acceptance describes the fraction that reach the end of the downstream tracking stations and are unlikely to interact with material or to be deflected out of the detector by the magnetic field. This fraction and the overall reconstruction efficiency are evaluated independently using simulated events. Correction factors are determined as functions of pseudorapidity and transverse momentum. No multiplicity dependence is observed. The mean particle densities are corrected by applying a combined correction factor of $1/(\epsilon_{\text{acc}}\epsilon_{\text{tr}})$ to each track in the same way as described in Sect. 5.1. In order to correct the particle multiplicity distributions, an unfolding technique based on a detector response matrix is employed. The response matrix, $R_{m,n}$, accounts for inefficiencies due to the detector acceptance and track reconstruction. It is constructed from the relation between the distribution of true prompt charged-particles $T(n)$ and the distribution of measured tracks $M(m)$, subtracted for background and pile-up, $M(m)=\sum_{n}R_{m,n}T(n).$ (4) The matrix is obtained from simulated events. The simulated number of charged particles per event, $n$, is compared to the corresponding number of reconstructed and background subtracted tracks, $m$. Thus each possible value of simulated particle multiplicity is mapped to a distribution of reconstructed tracks. For very high multiplicities, the available number of events from the Monte Carlo sample is not sufficient to populate the entire matrix. The mapping is well described by a Gaussian distribution with mean value $\bar{m}$ and standard deviation $\sigma_{m}$. The distribution of $\bar{m}$ and $\sigma_{m}$ for a true multiplicity bin $n$ can be parametrized by combinations of polynomial and logarithmic functions. This allows an extrapolation of the matrix up to large values of $n$ and simultaneously suppresses the effect of statistical fluctuations in the entries of the matrix. For further information the reader is referred to the Appendix, where an example of the detector response matrix is shown in Fig. 8. To extract the true particle multiplicity distribution $T(n)$ from the measured distribution $M(m)$, a procedure based on $\chi^{2}$-minimization [29, 30] of the measured distribution $M(m)$ and the folded distribution $R_{m,n}\tilde{T}(n)$ for different hypotheses of the true distribution, $\tilde{T}(n)$, is adopted. The range of variation of $\tilde{T}(n)$ is constrained by parametrising the multiplicity distributions. To avoid introducing model dependencies to the unfolded result, six different models with up to eight floating parameters are used. Five models are based on sums of exponential functions combined with polynomial functions of various order in the exponent and as a multiplier. In addition, a model based on a sum of negative binomial distributions is used. While particle multiplicities in $\eta$ and $p_{\rm T}$ bins can be well described by two negative binomial distributions, this is not sufficient for the multiplicity distribution in the full kinematic range, where this model has not been employed. All the parametrisations used are capable of describing the simulated multiplicity distributions. The floating parameters of the hypothesis $\tilde{T}(n)$ are varied in order to minimise the $\chi^{2}$-function $\chi^{2}(\tilde{T})=\displaystyle\sum\limits_{m}\frac{1}{E(m)^{2}}\left(M(m)-\displaystyle\sum\limits_{n}R_{mn}\tilde{T}(n)\right)^{2},$ (5) where $E(m)$ represents the uncertainty of the measured distribution $M(m)$. The parametrisation model yielding the best $\chi^{2}$-value is chosen as the central result, the other models are considered in the systematic uncertainty determination. Both the binned and total event unfolding procedures using simulated data are found to reproduce the generated distributions satisfactorily. The uncertainty of the unfolded distribution is determined through pseudo-experiments. Each pseudo-experiment is generated from the analytical model with the parameters randomly perturbed according to the best fit and the correlation matrix. As a consistency check, a Bayesian unfolding technique [31] is used. The unfolded distributions of both methods in all kinematic bins are found to be in agreement. The unfolded distribution for the total event is truncated at a value of 50 particles and the binned distributions at a value of 20 particles. This corresponds to the limit where, even with the extended detector-response matrix, larger particle multiplicities cannot be fully mapped to the range of the measured track-multiplicity distribution and where systematic uncertainties become large. ## 6 Systematic uncertainties The precision of the measurements of charged particle multiplicities and mean particle densities are limited by systematic effects. The bin contents of the particle multiplicity distribution for the full event typically have a relative statistical uncertainty in the range of $10^{-4}$ to $10^{-2}$ for low and high multiplicities, respectively. The systematic uncertainties are typically around $1-10\,\%$, the largest contribution arising from the uncertainty of the amount of detector material. All individual contributions are discussed below. The properties of fake tracks are studied in detail by using fully simulated events. The agreement between data and simulation is verified by estimating the fake-track fraction in both samples by probing the matching probability of track segments in the long-track reconstruction algorithm. The results are in good agreement and the differences amount to an overall $2\,\%$ systematic uncertainty on the applied correction factors. The systematic uncertainty introduced by differences in the fraction of duplicate tracks in data and simulation is determined by studying the number of track pairs with small opening angles. The observed excess of duplicate tracks in data results in a relative systematic uncertainty on the duplicate- track fraction of $9\,\%$. As the total amount of this type of reconstruction artefacts is small, this results in an overall $0.1\,\%$ systematic uncertainty on the final result. Uncertainties introduced by the correction for non-prompt particles depend predominantly on the knowledge of the amount of material within the detector. The agreement with the amount of material modelled in the simulation, on average, is found to be within $10\,\%$. In order to estimate the effects of non-prompt particles still passing the track selection, their composition is studied. Around $40\,\%$ of the wrongly selected particles arise from photon conversion and is related to the uncertainty of the amount of material. Another third of the particles are decay products of $K_{\text{S}}^{\text{0}}$ mesons, whose production cross-section has previously been measured by LHCb [4] to be in good agreement with simulation. Around $20\,\%$ of the particles originate from decays of $\Lambda$ baryons and hyperons. These are measured to disagree by approximately $40\,\%$ with the production cross-sections used in the simulation. Combining these contributions results in a $12\,\%$ systematic uncertainty on the fraction of non-prompt particles. To account for differences between the actual track reconstruction efficiency and that estimated from simulation, a global systematic uncertainty of $4\,\%$ in average is assigned [32, 33]. The uncertainty on the detector acceptance can be split in two components: the uncertainty on the knowledge of the detector material and the uncertainty related to the requirement for particles to have trajectories within the acceptance of the downstream tracking stations. The momentum distributions of charged particles in data and in simulation are in good agreement, therefore the second effect is negligible. The remaining uncertainty related to material interaction leads to a relative systematic uncertainty on the correction factors of $3\,\%$ and is assigned as an individual factor for each track. A modified response matrix is used to estimate the impact on the multiplicity distributions of systematic uncertainties due to the track reconstruction and detector acceptance. The systematic uncertainties of both efficiencies are combined quadratically and result in a $5\,\%$ uncertainty on the response matrix. A response matrix with an efficiency decreased by this value is generated. The whole unfolding procedure (Sect. 5.4) is repeated with this matrix and the full difference to the nominal result is assigned as uncertainty. Model dependencies due to the parametrisations used to unfold the true particle multiplicity distributions are determined by sampling six different parametrisation models for each of the multiplicity distributions. The model corresponding to the minimum $\chi^{2}$ value of the unfolding fit is taken as the central result, while the maximum difference in each bin between all models and the central result is taken as the systematic uncertainty. This difference is small compared to the uncertainty due to the modified response matrix. Uncertainties related to the correction for undetected events (Sect. 5.2) are dominated by the $13\,\%$ systematic uncertainty arising from the assumptions made in the calculation model. In addition, the average survival probability used in this model is affected by uncertainties of the amount of detector material, detector acceptance and track reconstruction efficiency. This sums to a maximum uncertainty of $15\,\%$ on the number of undetected events. Only bins from one to three tracks are affected, where the variation is dominated by this uncertainty. For the particle densities, the impact is negligible with respect to other uncertainties. For the particle multiplicity distributions it results in a small change of $0.4\,\%$ of the truncated mean. Uncertainties related to the pile-up fraction are evaluated to be negligible compared to all other contributions as the total size of the corrections is already small. The effect of non-zero beam crossing angles is determined to be insignificant, as well as the background induced by beam gas interactions. ## 7 Charged particle densities Figure 1: Charged particle density as a function of $\eta$. The LHCb data are shown as points with statistical error bars (smaller than the marker size) and combined systematic and statistical uncertainties as the grey band. The measurement is compared to several Monte Carlo generator predictions, (a) Pythia 6 and Phojet, (b) Pythia 8 and Herwig++. Both plots show predictions of the LHCb tune of Pythia 6, which is used in the analysis. The fully corrected measurement of mean particle densities in the kinematic region of $p>2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, $\mbox{$p_{\rm T}$}>0.2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $2.0<\eta<4.8$ is presented as a function of pseudorapidity in Fig. 1 and as a function of transverse momentum in Fig. 2; the corresponding numbers are presented in the Appendix. The data points show a characteristic drop towards larger pseudorapidities but also a falling edge for $\eta<3$, which is caused by the minimum momentum requirement in this analysis. This is qualitatively described by all considered Monte Carlo event generators and their tunes. The first group of generators that are compared to our measurements are different tunes of Pythia 6 and Phojet and are shown in Figs. 1a and 2a. The default configuration of Pythia 6.426 underestimates the amount of charged particles from roughly $20\,\%$ at large $\eta$ up to $50\,\%$ at small $\eta$. The descending slopes towards small and large pseudorapidities are also insufficiently modelled. The Perugia NOCR tune shows a slight improvement in shape and in the amount of charged particles; Perugia 0 predicts an even smaller mean particle density over the whole kinematic range. Predictions of the Phojet generator are similar to the tunes of Pythia 6\. In this group of predictions, the LHCb tune of Pythia 6 provides the best agreement with the data but still underestimates the charged-particle production rate by $10-40\,\%$. This behaviour is also observed in the $p_{\rm T}$ dependence, where all configurations underestimate the number of charged particles. The aforementioned generator predictions were optimized without input of LHC measurements. Figure 2: Charged particle density as a function of $p_{\rm T}$. The LHCb data are shown as points with statistical error bars (smaller than the marker size) and combined systematic and statistical uncertainties as the grey band. The measurement is compared to several Monte Carlo generator predictions, (a) Pythia 6 and Phojet, (b) Pythia 8 and Herwig++. Both plots show predictions of the LHCb tune of Pythia 6, which is used in the analysis. Predictions from the more recent generators Pythia 8 and Herwig++ are shown in Figs. 1b and 2b. Pythia 8.145 with default parameters was released without tuning to LHC measurements and is not better than the LHCb tune of Pythia 6\. In contrast, Pythia 8.180, which was optimized on LHC data, describes the measurements significantly better than the previous version. The predictions of Herwig++ are also in reasonably good agreement with data, although the charged-particle production rate is underestimated at small pseudorapidities. The Herwig++ generator version 2.7.0, which uses tune UE-5, overestimates the number of prompt charged particles in the low $p_{\rm T}$ range but underestimates it at larger transverse momenta. The predictions of Herwig++ in version 2.6.3, which relies on tune UE-4, show a more complete description of the data. Both event generators, Pythia 8 and Herwig++, describe the data over a wide range. Figure 3: Observed charged particle multiplicity distribution in the full kinematic range of the analysis. The error bars represent the statistical uncertainty, the error band shows the combined statistical and systematic uncertainties. The data are compared to several Monte Carlo predictions, (a) Pythia 6 and Phojet, (b) Pythia 8 and Herwig++. Both plots show predictions of the LHCb tune of Pythia 6, which is used in the analysis. ## 8 Multiplicity distributions The charged particle multiplicity distribution in the full kinematic range of the analysis is shown in Fig. 3, compared to the predictions from the event generators. The corresponding mean value, $\mu$, and the root-mean-square deviation, $\sigma$, of the distribution, truncated in the range from 1 to 50 particles, is measured to be $\mu=11.304\pm 0.008\pm 0.091$ and $\sigma=9.496\pm 0.006\pm 0.021$, where the uncertainties are statistical and systematic, respectively. Using the full range gives consistent results with the value obtained from the particle densities. All generators that do not use LHC data input underestimate the multiplicity distributions. In this comparison, the Phojet generator predicts the smallest probabilities to observe a large multiplicity event, being in disagreement with the measurement. This can be understood since Phojet mostly contains soft scattering events. All Pythia 6 tunes underestimate the charged particle production cross-section significantly. The prediction from the LHCb tune is closest to the data, but the mean value of the distribution is still about $15\,\%$ too small. Calculations from more recent generators are in better agreement with the measurement. While Pythia 8.145 gives the same insufficient description of the data as its predecessor, the prediction of version 8.180 using Tune 4C shows a reasonable agreement. The Herwig++ event generator using the underlying event tune UE-4 shows good agreement with the measurement and reproduces the data better than the more recent UE-5 tune. Figure 4: Observed charged particle multiplicity distribution in different $\eta$ bins. Error bars represent the statistical uncertainty, the error bands show the combined statistical and systematic uncertainties. The data are compared to Monte Carlo predictions, (a,b) Pythia 6 and Phojet, (c,d) Pythia 8 and Herwig++. All plots show predictions of the LHCb tune of Pythia 6, which is used in the analysis. Figure 5: Observed charged particle multiplicity distribution in different $\eta$ bins. Error bars represent the statistical uncertainty, the error bands show the combined statistical and systematic uncertainties. The data are compared to Monte Carlo predictions, (a-c) Pythia 6 and Phojet, (d-f) Pythia 8 and Herwig++. All plots show predictions of the LHCb tune of Pythia 6, which is used in the analysis. Charged particle multiplicity distributions for bins in pseudorapidity are displayed in Figs. 4 and 5. The comparison with the predictions from Monte Carlo generators shows the same general features as discussed for the integrated distribution. The predictions of Phojet and Pythia 6 all underestimate the particle multiplicity. The difference in particle production is most prominent at small $\eta$, where the minimum $p$ requirement in this analysis significantly reduces the amount of particles. Even though the LHCb tune is in better agreement with the data, the difference remains large. Recent generator predictions match the data better. Both Pythia 8 and Herwig++ show good agreement with data at larger pseudorapidity, only the range from $2<\eta<3$ being still underestimated. Figure 6: Observed charged particle multiplicity distribution in different $p_{\rm T}$ bins. Error bars represent the statistical uncertainty, the error bands show the combined statistical and systematic uncertainties. The data are compared to Monte Carlo predictions, (a,b) Pythia 6 and Phojet, (c,d) Pythia 8 and Herwig++. All plots show predictions of the LHCb tune of Pythia 6, which is used in the analysis. Figure 7: Observed charged particle multiplicity distribution in different $p_{\rm T}$ bins. Error bars represent the statistical uncertainty, the error bands show the combined statistical and systematic uncertainties. The data are compared to Monte Carlo predictions, (a-c) Pythia 6 and Phojet, (d-f) Pythia 8 and Herwig++. All plots show predictions of the LHCb tune of Pythia 6, which is used in the analysis. Charged particle multiplicities for bins of transverse momentum are shown in Figs. 6 and 7. The LHCb tune describes the data better than the other tunes. It is interesting to note that at large transverse momenta, where the discrepancies are most prominent, Pythia 6.426 in the default configuration matches the shape of the distribution. Pythia 8 in the recent configuration shows a reasonably good agreement to the measurement in the mid- and high-$p_{\rm T}$ range, where also the Herwig++ generator describes the data. Predictions using the UE-4 tune are closer to the measurement than using the UE-5 tune. Towards larger $p_{\rm T}$, Herwig++ predictions underestimate the amount of particles while the Pythia 8 prediction is slightly better. Pythia 8 underestimates the data towards lower $p_{\rm T}$, while Herwig++ overestimates it. The mean value and the root-mean-square deviation for the multiplicity distributions in $\eta$ and $p_{\rm T}$ bins are tabulated in the Appendix. ## 9 Summary The charged particle multiplicities and the mean particle densities are measured in inclusive $pp$ interactions at a centre-of-mass energy of $\sqrt{s}=7\;$TeV with the LHCb detector. The measurement is performed in the kinematic range $\mbox{$p$}>2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, $\mbox{$p_{\rm T}$}>0.2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $2.0<\eta<4.8$, in which at least one charged particle per event is required. By using the full spectrometer information, it is possible to extend the previous LHCb results [12] to include momentum dependent measurements. The comparison of data with predictions from several Monte Carlo event generators shows that predictions from recent generators, tuned to LHC measurements in the central rapidity region, are in better agreement than predictions from older generators. While the phenomenology in some kinematic regions is well described by recent Pythia and Herwig++ simulations, the data in the higher $p_{\rm T}$ and small $\eta$ ranges of the probed kinematic region are still underestimated. None of the event generators considered are able to describe the entire range of measurements. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); MEN/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). We are indebted to the communities behind the multiple open source software packages we depend on. We are also thankful for the computing resources and the access to software R&D tools provided by Yandex LLC (Russia). Appendix Figure 8: Example of the parametrized detector response matrix in the full kinematic range. The matrix is obtained from fully simulated events showing the relation between the true charged particle multiplicity and the reconstructed and background subtracted track multiplicity. Pseudorapidity range | $dn/d\eta$ ---|--- $2.0\leq\eta<2.2$ | $3.600\pm 0.048\pm 0.463$ $2.2\leq\eta<2.4$ | $4.032\pm 0.050\pm 0.460$ $2.4\leq\eta<2.6$ | $4.428\pm 0.055\pm 0.367$ $2.6\leq\eta<2.8$ | $4.754\pm 0.056\pm 0.277$ $2.8\leq\eta<3.0$ | $4.943\pm 0.057\pm 0.285$ $3.0\leq\eta<3.2$ | $4.977\pm 0.055\pm 0.267$ $3.2\leq\eta<3.4$ | $4.734\pm 0.052\pm 0.213$ $3.4\leq\eta<3.6$ | $4.500\pm 0.050\pm 0.207$ $3.6\leq\eta<3.8$ | $4.267\pm 0.049\pm 0.200$ $3.8\leq\eta<4.0$ | $4.026\pm 0.047\pm 0.194$ $4.0\leq\eta<4.2$ | $3.845\pm 0.046\pm 0.186$ $4.2\leq\eta<4.4$ | $3.613\pm 0.047\pm 0.263$ $4.4\leq\eta<4.6$ | $3.358\pm 0.043\pm 0.179$ $4.6\leq\eta<4.8$ | $3.281\pm 0.045\pm 0.174$ Table 1: Charged particle density as a function of pseudorapidity. The first quoted uncertainty is statistical and the second systematic. Transverse momentum range [${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ ] | $dn/d\mbox{$p_{\rm T}$}\;[0.1{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}]^{-1}$ ---|--- $0.20\leq\mbox{$p_{\rm T}$}<0.30$ | $1.908\pm 0.024\pm 0.116$ $0.30\leq\mbox{$p_{\rm T}$}<0.40$ | $1.866\pm 0.026\pm 0.099$ $0.40\leq\mbox{$p_{\rm T}$}<0.50$ | $1.678\pm 0.022\pm 0.093$ $0.50\leq\mbox{$p_{\rm T}$}<0.60$ | $1.347\pm 0.009\pm 0.092$ $0.60\leq\mbox{$p_{\rm T}$}<0.70$ | $1.082\pm 0.007\pm 0.091$ $0.70\leq\mbox{$p_{\rm T}$}<0.80$ | $0.817\pm 0.006\pm 0.064$ $0.80\leq\mbox{$p_{\rm T}$}<0.90$ | $0.617\pm 0.006\pm 0.042$ $0.90\leq\mbox{$p_{\rm T}$}<1.00$ | $0.481\pm 0.005\pm 0.044$ $1.00\leq\mbox{$p_{\rm T}$}<1.10$ | $0.366\pm 0.005\pm 0.019$ $1.10\leq\mbox{$p_{\rm T}$}<1.20$ | $0.290\pm 0.004\pm 0.015$ $1.20\leq\mbox{$p_{\rm T}$}<1.30$ | $0.228\pm 0.004\pm 0.012$ $1.30\leq\mbox{$p_{\rm T}$}<1.40$ | $0.180\pm 0.004\pm 0.009$ $1.40\leq\mbox{$p_{\rm T}$}<1.50$ | $0.144\pm 0.003\pm 0.007$ $1.50\leq\mbox{$p_{\rm T}$}<1.60$ | $0.113\pm 0.002\pm 0.007$ $1.60\leq\mbox{$p_{\rm T}$}<1.70$ | $0.092\pm 0.002\pm 0.006$ $1.70\leq\mbox{$p_{\rm T}$}<1.80$ | $0.075\pm 0.001\pm 0.005$ $1.80\leq\mbox{$p_{\rm T}$}<1.90$ | $0.061\pm 0.001\pm 0.004$ $1.90\leq\mbox{$p_{\rm T}$}<2.00$ | $0.053\pm 0.001\pm 0.003$ Table 2: Charged particle density as a function of transverse momentum. The first quoted uncertainty is statistical and the second systematic. Pseudorapidity range | Mean value | Root-mean-square ---|---|--- $2.0\leq\eta<2.5$ | $2.010\pm 0.002\pm 0.118$ | $2.460\pm 0.002\pm 0.115$ $2.5\leq\eta<3.0$ | $2.424\pm 0.002\pm 0.097$ | $2.736\pm 0.002\pm 0.094$ $3.0\leq\eta<3.5$ | $2.409\pm 0.002\pm 0.100$ | $2.668\pm 0.002\pm 0.113$ $3.5\leq\eta<4.0$ | $2.121\pm 0.002\pm 0.087$ | $2.396\pm 0.001\pm 0.117$ $4.0\leq\eta<4.5$ | $1.852\pm 0.002\pm 0.069$ | $2.093\pm 0.001\pm 0.073$ Table 3: Truncated mean value and root-mean-square deviation for charged particle multiplicities in different $\eta$-bins. The range is from 0 to 20 particles. The first quoted uncertainty is statistical and the second systematic. Transverse momentum range [${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ ] | Mean value | Root-mean-square ---|---|--- $0.2\leq\mbox{$p_{\rm T}$}<0.3$ | $1.928\pm 0.002\pm 0.073$ | $2.083\pm 0.001\pm 0.067$ $0.3\leq\mbox{$p_{\rm T}$}<0.4$ | $1.865\pm 0.002\pm 0.065$ | $1.971\pm 0.001\pm 0.050$ $0.4\leq\mbox{$p_{\rm T}$}<0.6$ | $2.988\pm 0.002\pm 0.098$ | $2.855\pm 0.002\pm 0.069$ $0.6\leq\mbox{$p_{\rm T}$}<1.0$ | $2.881\pm 0.003\pm 0.103$ | $3.029\pm 0.002\pm 0.090$ $1.0\leq\mbox{$p_{\rm T}$}<2.0$ | $1.580\pm 0.002\pm 0.096$ | $2.195\pm 0.001\pm 0.093$ Table 4: Truncated mean value and root-mean-square deviation for charged particle multiplicities in different $p_{\rm T}$-bins. The range is from 0 to 20 particles. The first quoted uncertainty is statistical and the second systematic. ## References * [1] A. Kaidalov and K. Ter-Martirosyan, Multihadron production at high energies in the model of quark gluon strings, Sov. J. Nucl. Phys. 40 (1984) 135 * [2] A. Capella, U. Sukhatme, C.-I. 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arxiv-papers
2014-02-18T18:30:25
2024-09-04T02:49:58.383003
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "R. Aaij, B. Adeva, M. Adinolfi, A. Affolder, Z. Ajaltouni, J.\n Albrecht, F. Alessio, M. Alexander, S. Ali, G. Alkhazov, P. Alvarez Cartelle,\n A.A. Alves Jr, S. Amato, S. Amerio, Y. Amhis, L. Anderlini, J. Anderson, R.\n Andreassen, M. Andreotti, J.E. Andrews, R.B. Appleby, O. Aquines Gutierrez,\n F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G. Auriemma, M. Baalouch,\n S. Bachmann, J.J. Back, A. Badalov, V. Balagura, W. Baldini, R.J. Barlow, C.\n Barschel, S. Barsuk, W. Barter, V. Batozskaya, Th. Bauer, A. Bay, J. Beddow,\n F. Bedeschi, I. Bediaga, S. Belogurov, K. Belous, I. Belyaev, E. Ben-Haim, G.\n Bencivenni, S. Benson, J. Benton, A. Berezhnoy, R. Bernet, M.-O. Bettler, M.\n van Beuzekom, A. Bien, S. Bifani, T. Bird, A. Bizzeti, P.M. Bj{\\o}rnstad, T.\n Blake, F. Blanc, J. Blouw, S. Blusk, V. Bocci, A. Bondar, N. Bondar, W.\n Bonivento, S. Borghi, A. Borgia, M. Borsato, T.J.V. Bowcock, E. Bowen, C.\n Bozzi, T. Brambach, J. van den Brand, J. Bressieux, D. Brett, M. Britsch, T.\n Britton, N.H. Brook, H. Brown, A. Bursche, G. Busetto, J. Buytaert, S.\n Cadeddu, R. Calabrese, O. Callot, M. Calvi, M. Calvo Gomez, A. Camboni, P.\n Campana, D. Campora Perez, A. Carbone, G. Carboni, R. Cardinale, A. Cardini,\n H. Carranza-Mejia, L. Carson, K. Carvalho Akiba, G. Casse, L. Cassina, L.\n Castillo Garcia, M. Cattaneo, Ch. Cauet, R. Cenci, M. Charles, Ph.\n Charpentier, S.-F. Cheung, N. Chiapolini, M. Chrzaszcz, K. Ciba, X. Cid\n Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J. Closier, C.\n Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A. Comerma-Montells, A.\n Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, I. Counts, B. Couturier,\n G.A. Cowan, D.C. Craik, M. Cruz Torres, S. Cunliffe, R. Currie, C.\n D'Ambrosio, J. Dalseno, P. David, P.N.Y. David, A. Davis, I. De Bonis, K. De\n Bruyn, S. De Capua, M. De Cian, J.M. De Miranda, L. De Paula, W. De Silva, P.\n De Simone, D. Decamp, M. Deckenhoff, L. Del Buono, N. D\\'el\\'eage, D.\n Derkach, O. Deschamps, F. Dettori, A. Di Canto, H. Dijkstra, S. Donleavy, F.\n Dordei, M. Dorigo, P. Dorosz, A. Dosil Su\\'arez, D. Dossett, A. Dovbnya, F.\n Dupertuis, P. Durante, R. Dzhelyadin, A. Dziurda, A. Dzyuba, S. Easo, U.\n Egede, V. Egorychev, S. Eidelman, S. Eisenhardt, U. Eitschberger, R. Ekelhof,\n L. Eklund, I. El Rifai, Ch. Elsasser, S. Esen, A. Falabella, C. F\\\"arber, C.\n Farinelli, S. Farry, D. Ferguson, V. Fernandez Albor, F. Ferreira Rodrigues,\n M. Ferro-Luzzi, S. Filippov, M. Fiore, M. Fiorini, C. Fitzpatrick, M.\n Fontana, F. Fontanelli, R. Forty, O. Francisco, M. Frank, C. Frei, M.\n Frosini, J. Fu, E. Furfaro, A. Gallas Torreira, D. Galli, M. Gandelman, P.\n Gandini, Y. Gao, J. Garofoli, J. Garra Tico, L. Garrido, C. Gaspar, R. Gauld,\n L. Gavardi, E. Gersabeck, M. Gersabeck, T. Gershon, Ph. Ghez, A. Gianelle, S.\n Giani', V. Gibson, L. Giubega, V.V. Gligorov, C. G\\\"obel, D. Golubkov, A.\n Golutvin, A. Gomes, H. Gordon, M. Grabalosa G\\'andara, R. Graciani Diaz, L.A.\n Granado Cardoso, E. Graug\\'es, G. Graziani, A. Grecu, E. Greening, S.\n Gregson, P. Griffith, L. Grillo, O. Gr\\\"unberg, B. Gui, E. Gushchin, Yu. Guz,\n T. Gys, C. Hadjivasiliou, G. Haefeli, C. Haen, T.W. Hafkenscheid, S.C.\n Haines, S. Hall, B. Hamilton, T. Hampson, S. Hansmann-Menzemer, N. Harnew,\n S.T. Harnew, J. Harrison, T. Hartmann, J. He, T. Head, V. Heijne, K.\n Hennessy, P. Henrard, L. Henry, J.A. Hernando Morata, E. van Herwijnen, M.\n He\\ss, A. Hicheur, D. Hill, M. Hoballah, C. Hombach, W. Hulsbergen, P. Hunt,\n N. Hussain, D. Hutchcroft, D. Hynds, V. Iakovenko, M. Idzik, P. Ilten, R.\n Jacobsson, A. Jaeger, E. Jans, P. Jaton, A. Jawahery, F. Jing, M. John, D.\n Johnson, C.R. Jones, C. Joram, B. Jost, N. Jurik, M. Kaballo, S. Kandybei, W.\n Kanso, M. Karacson, T.M. Karbach, M. Kelsey, I.R. Kenyon, T. Ketel, B.\n Khanji, C. Khurewathanakul, S. Klaver, O. Kochebina, I. Komarov, R.F.\n Koopman, P. Koppenburg, M. Korolev, A. Kozlinskiy, L. Kravchuk, K. Kreplin,\n M. Kreps, G. Krocker, P. Krokovny, F. Kruse, M. Kucharczyk, V. Kudryavtsev,\n K. Kurek, T. Kvaratskheliya, V.N. La Thi, D. Lacarrere, G. Lafferty, A. Lai,\n D. Lambert, R.W. Lambert, E. Lanciotti, G. Lanfranchi, C. Langenbruch, T.\n Latham, C. Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees, R. Lef\\`evre, A.\n Leflat, J. Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B. Leverington, Y.\n Li, M. Liles, R. Lindner, C. Linn, F. Lionetto, B. Liu, G. Liu, S. Lohn, I.\n Longstaff, J.H. Lopes, N. Lopez-March, P. Lowdon, H. Lu, D. Lucchesi, J.\n Luisier, H. Luo, E. Luppi, O. Lupton, F. Machefert, I.V. Machikhiliyan, F.\n Maciuc, O. Maev, S. Malde, G. Manca, G. Mancinelli, M. Manzali, J. Maratas,\n U. Marconi, P. Marino, R. M\\\"arki, J. Marks, G. Martellotti, A. Martens, A.\n Mart\\'in S\\'anchez, M. Martinelli, D. Martinez Santos, F. Martinez Vidal, D.\n Martins Tostes, A. Massafferri, R. Matev, Z. Mathe, C. Matteuzzi, A. Mazurov,\n M. McCann, J. McCarthy, A. McNab, R. McNulty, B. McSkelly, B. Meadows, F.\n Meier, M. Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J. Molina Rodriguez,\n S. Monteil, D. Moran, M. Morandin, P. Morawski, A. Mord\\`a, M.J. Morello, R.\n Mountain, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B. Muster, P. Naik,\n T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N. Neri, S. Neubert, N.\n Neufeld, A.D. Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R.\n Niet, N. Nikitin, T. Nikodem, A. Novoselov, A. Oblakowska-Mucha, V.\n Obraztsov, S. Oggero, S. Ogilvy, O. Okhrimenko, R. Oldeman, G. Onderwater, M.\n Orlandea, J.M. Otalora Goicochea, P. Owen, A. Oyanguren, B.K. Pal, A. Palano,\n F. Palombo, M. Palutan, J. Panman, A. Papanestis, M. Pappagallo, L.\n Pappalardo, C. Parkes, C.J. Parkinson, G. Passaleva, G.D. Patel, M. Patel, C.\n Patrignani, C. Pavel-Nicorescu, A. Pazos Alvarez, A. Pearce, A. Pellegrino,\n G. Penso, M. Pepe Altarelli, S. Perazzini, E. Perez Trigo, P. Perret, M.\n Perrin-Terrin, L. Pescatore, E. Pesen, G. Pessina, K. Petridis, A. Petrolini,\n E. Picatoste Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, A. Pistone, S.\n Playfer, M. Plo Casasus, F. Polci, G. Polok, A. Poluektov, E. Polycarpo, A.\n Popov, D. Popov, B. Popovici, C. Potterat, A. Powell, J. Prisciandaro, A.\n Pritchard, C. Prouve, V. Pugatch, A. Puig Navarro, G. Punzi, W. Qian, B.\n Rachwal, J.H. Rademacker, B. Rakotomiaramanana, M. Rama, M.S. Rangel, I.\n Raniuk, N. Rauschmayr, G. Raven, S. Redford, S. Reichert, M.M. Reid, A.C. dos\n Reis, S. Ricciardi, A. Richards, K. Rinnert, V. Rives Molina, D.A. Roa\n Romero, P. Robbe, D.A. Roberts, A.B. Rodrigues, E. Rodrigues, P. Rodriguez\n Perez, S. Roiser, V. Romanovsky, A. Romero Vidal, M. Rotondo, J. Rouvinet, T.\n Ruf, F. Ruffini, H. Ruiz, P. Ruiz Valls, G. Sabatino, J.J. Saborido Silva, N.\n Sagidova, P. Sail, B. Saitta, V. Salustino Guimaraes, B. 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Szumlak,\n S. T'Jampens, M. Teklishyn, G. Tellarini, E. Teodorescu, F. Teubert, C.\n Thomas, E. Thomas, J. van Tilburg, V. Tisserand, M. Tobin, S. Tolk, L.\n Tomassetti, D. Tonelli, S. Topp-Joergensen, N. Torr, E. Tournefier, S.\n Tourneur, M.T. Tran, M. Tresch, A. Tsaregorodtsev, P. Tsopelas, N. Tuning, M.\n Ubeda Garcia, A. Ukleja, A. Ustyuzhanin, U. Uwer, V. Vagnoni, G. Valenti, A.\n Vallier, R. Vazquez Gomez, P. Vazquez Regueiro, C. V\\'azquez Sierra, S.\n Vecchi, J.J. Velthuis, M. Veltri, G. Veneziano, M. Vesterinen, B. Viaud, D.\n Vieira, X. Vilasis-Cardona, A. Vollhardt, D. Volyanskyy, D. Voong, A.\n Vorobyev, V. Vorobyev, C. Vo\\ss, H. Voss, J.A. de Vries, R. Waldi, C.\n Wallace, R. Wallace, S. Wandernoth, J. Wang, D.R. Ward, N.K. Watson, A.D.\n Webber, D. Websdale, M. Whitehead, J. Wicht, J. Wiechczynski, D. Wiedner, L.\n Wiggers, G. Wilkinson, M.P. Williams, M. Williams, F.F. Wilson, J. Wimberley,\n J. Wishahi, W. Wislicki, M. Witek, G. Wormser, S.A. Wotton, S. Wright, S. Wu,\n K. Wyllie, Y. Xie, Z. Xing, Z. Yang, X. Yuan, O. Yushchenko, M. Zangoli, M.\n Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y. Zhang, A. Zhelezov, A.\n Zhokhov, L. Zhong, A. Zvyagin (LHCb collaboration)", "submitter": "Marco Meissner", "url": "https://arxiv.org/abs/1402.4430" }
1402.4518
# Cherenkov friction on a neutral particle moving parallel to a dielectric Gregor Pieplow and Carsten Henkel Institute of Physics and Astronomy, Universität Potsdam, Germany (18 Feb 2014) ###### Abstract Based on a fully relativistic framework and the assumption of local equilibrium, we describe a simple mechanism of quantum friction for a particle moving parallel to a dielectric. The Cherenkov effect explains how the bare ground state becomes globally unstable and how fluctuations of the electromagnetic field and the particle’s dipole are converted into pairs of excitations. Modelling the particle as a silver nano-sphere, we investigate the spectrum of the force and its velocity dependence. We find that the damping of the plasmon resonance in the silver particle has a relatively strong impact near the Cherenkov threshold velocity. We also present an expansion of the friction force near the threshold velocity for both damped and undamped particles. Key words: radiation force, quantum friction, Cherenkov, quantum fluctuations. – PACS: 12.20.-m, 42.50.Lc, 05.30.-d, 03.65.-w, 03.50.De, 42.50.Wk, 03.30.+p ## Introduction The conversion of mechanical energy into heat is referred to as friction in most cases. Numerous mechanisms can be identified that cause friction, but it is still a challenge to infer macroscopic observations from microscopic phenomena. So far only very simple scenarios permit a detailed analysis of the fundamental aspects of friction. A prominent example is the theory of the quantized electromagnetic field applied to the case of two parallel moving plates separated by a small vacuum gap [1, 2, 3, 4, 5]; see Refs.[6, 7, 8, 9] for reviews. Friction arises due to the spontaneous creation of particle pairs that propagate away into the plates or are dissipated there. A similar treatment can be applied to a body moving above a flat surface at constant speed [10, 11, 12, 13]. Taking advantage of Lorentz invariance, one achieves treatments consistent with special relativity [14, 15], as required for the archetypal situation that high-energy charges are stopped in a medium. In a recent paper, we described such a formalism for a neutral, polarizable particle moving parallel to a flat interface [16]. At a typical distance of at least a few nanometers (larger than the atomic scale), the interaction depends on a few macroscopic parameters (refractive index, conductivity, surface impedance …). In the present paper we discuss a special configuration of this setting with a dielectric medium below the surface, and with both particle and medium at zero temperature. These conditions make the friction a pure quantum- mechanical drag and closely relates it to the realm of Casimir phenomena [17]. A friction force appears when the speed of the particle relative to the surface exceeds the velocity of light in the medium ($c/n$): this drag can thus be attributed to the Cherenkov effect. The situation is somewhat unusual because neither the surface nor the particle have to be dissipative. All that is required are spectral mode densities for the medium field and the particle. For a moving charge the Cherenkov drag is well known and is described easily with classical electromagnetic theory [18]. A neutral body requires a more refined treatment, as quantum fluctuations have to be treated accordingly. As in previous work [3, 19], we use the fluctuation-dissipation theorem to do just that. Because of the growing interest in this field and some controversy surrounding it (see Ref.[13] for a review), the simple situation studied here might provide another test bed to compare current results and ideas in detail. In this paper, we analyze in detail a spectral representation of the friction force that must be applied to move a small particle parallel to a flat dielectric surface. While this setup has obvious applications for micro- and nano-machines, our focus is on illustrating the underlying mechanisms. The basic physics is very similar to the seminal explanation of the Cherenkov effect [20] by Tamm and Frank [21]: for a certain sector of field modes, the Doppler shift flips the sign of the mode frequency (anomalous Doppler effect). This leads to scattering relations (S-matrix) in the form of a Bogoliubov transformation [7, 9]: incident waves get amplified, and pairs of elementary excitations (photon-polaritons) can be created out of the quantum fluctuations in the field and in the particle’s dipole moment. The frictional force arises from the power carried away by these excitations as they are absorbed or as they propagate into the bulk of the body. The recent paper by Barton [13] provides a particularly transparent calculation of these processes in a simplified setting (only surface plasmon modes are considered). The starting point we use here is based on the fluctuation electrodynamics developed by Rytov and co-workers [19]: the basic assumption is that both the solid surface and the moving particle are in _local thermodynamic equilibrium_. This is a good approximation for a mesoscopic particle made from thousands of atoms, at least over time scales where its temperature can be considered constant (large heat capacity). The approximation is much more questionable for microscopic particles like atoms or molecules because these may settle into a non-thermal state due to spontaneous excitation. We structure our analysis in the following way: some results of previous work are summoned to provide the basis for the Cherenkov effect. The quantum (Cherenkov) friction is then calculated and its physical properties are discussed. We link the friction force to an absorbed power that has to be provided to move the particle at constant speed. A relativistic argument put forward by Polevoi [3] attributes this power to an increase in mass-energy. After the analytics, we numerically investigate a silver nano-particle moving at relativistic speed above a dielectric surface. We quantify the magnitude of the friction, and provide a geometric picture of most of the features that determine the friction spectrum. We then present an expansion of frequency spectrum of the force and of the force itself near the threshold in $(v-c/n)$. This further illustrates the relative importance of the resonance and the low, off-resonant frequencies in the particle polarizability. We find a remarkable agreement with the numerical results close to the threshold. The main result is that the Cherenkov friction is linked to composite modes at the vacuum- dielectric interface [22, 23] which couple to the particle via their evanescent vacuum tail; their plane-wave component in the medium can be seen as carrying away the dissipated power. ## 1 The formalism ### 1.1 Friction force In an earlier paper [16] we presented a covariant approach to the force on a particle that moves with arbitrary speed parallel to a flat surface that responds linearly to electromagnetic waves. We recovered the results of Refs.[24, 14]. The formalism allows for different temperatures of particle and surface, assuming a state of local equilibrium. The relative motion leads to Doppler shifts that are handled by Lorentz transforming an incident field into the frame co-moving with the particle or the surface. The Doppler-shifted frequency distribution of the equilibrium distributions are responsible for a non-equilibrium force that persists even when both temperatures $T\to 0$. Let us fix coordinates such that the $x$-axis points along the motion of the particle (velocity ${\mathbf{v}}$), while the half-space $z\leq 0$ coincides with the medium. According to Refs.[14, 16], the force component $F_{x}$ acting on the particle (at distance $z$ from the surface) is $\displaystyle F_{x}$ $\displaystyle=$ $\displaystyle\frac{\hbar}{2\gamma}\int\frac{{\rm d}\omega}{2\pi}\frac{{\rm d}^{2}k_{\parallel}}{(2\pi)^{2}}[{\rm sign}(\omega)-{\rm sign}(\omega- vk_{x})]\times$ (1) $\displaystyle\qquad k_{x}\,\mathop{\rm Im}\,\alpha[\gamma(\omega- vk_{x})]\sum_{\sigma=s,p}\phi_{\sigma}(\omega,{\mathbf{k}}_{\parallel})\mathop{\rm Im}\left(\frac{r_{\sigma}{\rm e}^{-2\kappa z}}{\kappa}\right)~{}.$ The frequency $\omega$ and parallel wave numbers ${\mathbf{k}}_{\parallel}=(k_{x},k_{y})$ are measured in the rest frame of the medium; the integral boundaries are $(-\infty,\infty)$. The difference of sign functions arises from the thermal factors $\coth[\hbar\omega/(2k_{\rm B}T)]$ in the zero-temperature limit, evaluated in the respective rest frames of medium and particle ($\omega^{\prime}=\gamma(\omega-vk_{x})$). The particle polarizability is $\alpha$, $\gamma$ is the Lorentz factor, and for the weight functions $\phi_{\sigma}$ we have (setting $c=1$) $\displaystyle\phi_{s}(\omega,{\mathbf{k}}_{\parallel})$ $\displaystyle=$ $\displaystyle\omega^{\prime 2}+2\gamma^{2}({\mathbf{v}}\times{\mathbf{k}}_{\parallel})^{2}\left(1-\frac{\omega^{2}}{k_{\parallel}^{2}}\right)~{},$ (2) $\displaystyle\phi_{p}(\omega,{\mathbf{k}}_{\parallel})$ $\displaystyle=$ $\displaystyle\omega^{\prime 2}+2\gamma^{2}(k_{\parallel}^{2}-({\mathbf{v}}\cdot{\mathbf{k}}_{\parallel})^{2})\left(1-\frac{\omega^{2}}{k_{\parallel}^{2}}\right)~{}.$ (3) The reflection coefficients for $p$\- and $s$-polarized light are $r_{\rm s}=\frac{{\rm i}\kappa-\kappa_{n}}{{\rm i}\kappa+\kappa_{n}}\quad,\quad r_{\rm p}=\frac{{\rm i}n^{2}\kappa-\kappa_{n}}{{\rm i}n^{2}\kappa+\kappa_{n}}~{},$ (4) where $\kappa=\sqrt{k_{\parallel}^{2}-(\omega+i0)^{2}}$ and $\kappa_{n}=\sqrt{n^{2}(\omega+i0)^{2}-k_{\parallel}^{2}}$. Here, $n$ is the refractive index of the medium. Using symmetries and other properties we can further simplify the integral in Eq.(1). The integrand is even under the transformations $(\omega,k_{x})\mapsto(-\omega,-k_{x})$ and $k_{y}\mapsto-k_{y}$ so that it is sufficient to integrate over the domain $\omega>0$, $k_{y}>0$. The difference of the ${\rm sign}$-functions reduces to a factor of two for $0<\omega<vk_{x}$. This wedge-shaped domain in the $k_{x},\omega$-plane is below the projected light cone $\omega=k_{\parallel}$, so that only fields that are evanescent at the particle’s location contribute to the force [Fig.1.1(_left_)]. We conclude that the factor ${\rm e}^{-2\kappa z}/\kappa$ is real-valued. | ---|--- Figure 1. Sketch of the system and visualization of the relevant photon modes. (_left_) Kinematics of Cherenkov (quantum) friction: the moving particle is spontaneously excited and a photon is emitted into the medium beyond the critical angle. | (_right_) Cherenkov friction arises from a domain in the $\omega,{\mathbf{k}}_{\parallel}$-space that is enclosed by the projected light cone in the medium $\omega=k_{\parallel}/n$ (dark red) and the plane $\omega=vk_{x}$ (pink). Below this plane, the Doppler shift is anomalous and in the frame moving with the particle $\omega^{\prime}<0$. All points below the vacuum light cone (blue) correspond to evanescent waves bound to the medium surface. We take $n=2$ and $v=0.8\,c>c/n$. Another crucial insight is contained in the reflection coefficients (4): their imaginary part is nonzero only in the annulus $\omega<k_{\parallel}<n\omega$ [see Fig.2.1(_right_) below]. With the condition derived from the ${\rm sign}$ functions we get $\omega<vk_{\parallel}\cos\phi<vn\omega\cos\phi$, so that the condition for Cherenkov radiation follows $1<vn\cos\phi$ (5) where $\phi$ is the angle between ${\mathbf{v}}$ and ${\mathbf{k}}_{\parallel}$. The expression (1) for the force thus becomes: $\displaystyle F_{x}$ $\displaystyle=$ $\displaystyle\frac{4\hbar}{\gamma(2\pi)^{3}}\int^{\infty}_{0}{\rm d}\omega\int^{n\omega}_{\omega/v}{\rm d}k_{x}\int^{\sqrt{n^{2}\omega^{2}-k_{x}^{2}}}_{0}{\rm d}k_{y}$ (6) $\displaystyle\quad k_{x}\,\mathop{\rm Im}\,\alpha[\gamma(\omega- vk_{x})]\sum_{\sigma=s,p}\phi_{\sigma}(\omega,{\mathbf{k}}_{\parallel})\mathop{\rm Im}\left(r_{\sigma}\right)\frac{{\rm e}^{-2\kappa z}}{\kappa}~{}.$ ### 1.2 Photon emission and anomalous Doppler shift The manipulations performed so far have a clear physical meaning within the theory of the Cherenkov effect [20, 21, 18] which is well understood. A kinematic explanation of the friction above the Cherenkov threshold can be given following the equations outlined in Ref.[25]. We start with the conservation of 4-momentum $p^{\mu}_{1}=\hbar k^{\mu}+p^{\mu}_{2}~{}.$ (7) The momenta $p^{\nu}_{a}$ describe the particle before and after the emission of a photon with momentum $\hbar k^{\nu}$, where $a=1,2$ labels the internal states (energy levels $\epsilon_{1,2}$). Although Eq.(7) and Ref.[25] deal with a particle moving through a medium, the physics is the same for the motion parallel to the dielectric medium. We have for the particle and the photon (recall that $c=1$) $\displaystyle p^{\mu}_{a}$ $\displaystyle=$ $\displaystyle(E_{a}\,,\gamma m_{a}{\mathbf{v}})~{},\quad m_{a}=M+\epsilon_{a}~{},$ (8) $\displaystyle E_{a}$ $\displaystyle=$ $\displaystyle\sqrt{m_{a}^{2}+\gamma^{2}m_{a}^{2}{\mathbf{v}}^{2}}=\gamma m_{a}~{},$ (9) $\displaystyle k^{\mu}$ $\displaystyle=$ $\displaystyle(\omega,\,{\mathbf{k}})~{},\quad k=n\omega~{}.$ (10) The Greek indices run from $0$ to $3$, and toggling between co- and contravariant indices is done with the metric $g_{\mu\nu}=\mathop{\rm diag}(1,-1,-1,-1)$. It is understood that $k=\sqrt{{\mathbf{k}}^{2}}$. The masses $m_{a}$ are associated with the particle’s energy levels. The photon is supposed to be emitted into the medium, hence the dispersion relation in eq.(10). Because the particle is pushed by an “invisible hand”, the velocity ${\mathbf{v}}$ does not change during the emission. This is equivalent to neglecting the recoil [25] of the particle. Squaring eq.(7) leads to $(\epsilon_{1}-\epsilon_{2})(2M+\epsilon_{1}+\epsilon_{2})=2E_{1}\hbar\omega(1-vn\cos\phi)~{}.$ (11) with the same notation as in Eq.(5) above. We can reasonably make the approximation $\epsilon_{1,2}\ll M$ so that we recover $\hbar\omega=-\frac{\epsilon_{2}-\epsilon_{1}}{\gamma(1-vn\cos\phi)}~{}.$ (12) If the particle is faster than the speed of light inside the medium, $1/n$, the denominator is negative [Cherenkov condition (5)]. This is an illustration of the so-called anomalous Doppler effect where the photon frequency, as seen from the moving particle, $\omega^{\prime}=\gamma(\omega-vk_{x})$, is negative. The authors of Ref.[25] point out that this allows for the _excitation of the particle to a higher energy level_ , $\epsilon_{2}>\epsilon_{1}$, _while emitting a photon into the medium_ , inside the Cherenkov cone [see Fig.1.1(_left_)]. The power lost into the emission must be supplied by the force that keeps the particle on its track. In other words, considering quantum electrodynamics at a dielectric interface coupled to a polarizable particle moving faster than the Cherenkov threshold, it turns out that this is an example of an unstable field theory [7, 26], similar to electron-positron production in strong electric fields and Hawking radiation in a strong gravitational field. ### 1.3 Heating and frictional power This simple kinematic analysis corresponds neatly to the integration domain in eqs.(1, 6). Note in particular that the particle’s response function is evaluated at the Doppler-shifted frequency and yields $\mathop{\rm Im}\alpha(\gamma(\omega-vk_{x}))<0$ in the domain. This is a clear indicator that the anomalous Doppler effect in combination with the photon emission of photons into the Cherenkov cone indeed slows down the particle. Another quantity of interest is the rate of mass change in the particle’s co-moving frame. This is given by $\dot{m}=u^{\mu}F_{\mu}$ where $u_{\mu}$ is the particle’s 4-velocity. The full 4-vector of force $F_{\mu}$ can be found in [16], and for our particle moving in the $x$-direction, we find $\displaystyle\dot{m}$ $\displaystyle=$ $\displaystyle\gamma\left(F_{0}-vF_{x}\right)$ (13) $\displaystyle\left({F_{0}\atop vF_{x}}\right)$ $\displaystyle=$ $\displaystyle\int_{0}^{\infty}\\!{\rm d}\omega\,\int^{n\omega}_{\omega/v}\\!{\rm d}k_{x}\,\int^{\sqrt{n^{2}\omega^{2}-k_{x}^{2}}}_{0}\\!{\rm d}k_{y}\,\left({-\hbar\omega\atop-\hbar vk_{x}}\right)\Gamma(\omega,{\mathbf{k}}_{\parallel})~{},$ (14) where the positive quantity $\displaystyle\Gamma(\omega,{\mathbf{k}}_{\parallel})$ $\displaystyle=\frac{4}{\gamma(2\pi)^{3}}{\rm Im}\,\alpha[\gamma(vk_{v}-\omega)]\sum_{\sigma=s,p}\phi_{\sigma}(\omega,{\mathbf{k}}_{\parallel})\mathop{\rm Im}(r_{\sigma})\frac{{\rm e}^{-2\kappa z}}{\kappa}$ (15) can be identified as a spectrally resolved photon emission rate. (We exploited the fact that $\mathop{\rm Im}\alpha(\omega^{\prime})$ is an odd function.) Note that the proper mass increases, $\dot{m}>0$, because per emission event, a positive energy $-\hbar\omega^{\prime}=\hbar\gamma(vk_{x}-\omega)$ is dumped into the particle’s internal mass-energy, as discussed in the previous section. Indeed, we shall see, through a simple oscillator model for the polarizability, that the frequency $\omega^{\prime}$ in the co-moving frame is essentially fixed by the particle’s resonance. To summarize this section, let us re-write the power balance as a sum of two positive terms: $-vF_{x}=-F_{0}+\frac{{\rm d}m}{\gamma{\rm d}\tau}$ (16) On the left-hand side, we see the frictional power spent to maintain the constant speed of the particle. The first term on the right-hand side gives the power of photon emission (energy $\hbar\omega$ at rate $\Gamma(\omega,{\mathbf{k}}_{\parallel})$, see Eq.(14)), while the second gives the power absorbed in the particle. (The factor $1/\gamma$ gives the relativistic time dilation between the particle’s proper time $\tau$ and the laboratory time $t$.) ## 2 Case study: relativistic nanoparticle ### 2.1 Numerical investigations To illustrate further the physical features of the Cherenkov friction force, we provide some numerical estimates for a metallic nano-particle. We chose a silver nano-sphere with radius $a=3\,{\rm nm}$ that moves at a distance $z=10\,{\rm nm}$ above a dielectric medium with refractive index $n=2$. For simplicity, frequency dispersion is neglected in the medium [23]. For the particle, we adopt a Drude model with parameters for silver: plasma frequency $\hbar\omega_{\rm pl}=9.01{\rm eV}$ and damping rate $\hbar/\tau=16\,{\rm meV}$ (not to be confused with the proper time coordinate $\tau$ above). For such a small particle, the first term of the Mie series will suffice so that its response is given by the electric dipole polarizability (for SI units, multiply with the Coulomb constant $\varepsilon_{0}$) $\alpha(\omega)=4\pi a^{3}\frac{\varepsilon(\omega)-1}{\varepsilon(\omega)+2}=4\pi a^{3}\frac{\Omega^{2}}{\Omega^{2}-\omega^{2}-{\rm i}\omega/\tau}$ (17) where $\varepsilon(\omega)$ is the metal permittivity. The resonance at $\Omega=\omega_{\rm pl}/\sqrt{3}$ corresponds to a plasmon mode localized on the particle. The calculations simplify considerably in the no-damping limit $\tau\to\infty$ which gives $\lim_{\tau\rightarrow\infty}\mathop{\rm Im}\alpha(\omega)=2\pi^{2}a^{3}\omega\,[\delta(\omega-\Omega)+\delta(\omega+\Omega)]~{}.$ (18) We have checked that at this distance and for velocities above the Cherenkov threshold, both polarizations contribute roughly the same amount to the force. This is at variance with the more familiar regime of short (non-retarded) distances and slow (non-relativistic) atoms where the p-polarization dominates and an electrostatic calculation suffices. | ---|--- Figure 2. Impact of the particle plasmon resonance. (_left_) Spectral density $F_{x}(\omega,{\mathbf{k}}_{\parallel})$ of the friction force plotted in the plane $\omega^{\prime}=-\Omega$ where the particle’s oscillator strength $\mathop{\rm Im}\alpha(\omega^{\prime})$ peaks. The inclination of the plane is determined by the velocity of the particle. The intersection with the medium light cone (pink) is a hyperbola whose apex has the coordinates given in Eq.(20). | (_right_) Density plot of $F_{x}(\omega,{\mathbf{k}}_{\parallel})$ in the $k_{x},k_{y}$-plane (cut through the left figure at constant frequency). The dashed lines give the outline of the light cones in vacuum and the medium. The relevant integration domain is inside the larger circle and to the right of the orange line $k_{x}=\omega/v$. The wide blue line in this area illustrates the absorption resonance $\omega^{\prime}=-\Omega$ of the particle polarizability $\alpha(\omega^{\prime})$. If $T\neq 0$, the orange line blurs, and the inner circle contributes to the integral as well. Red/blue colors represent positive/negative values. Parameters: $\omega=\sqrt{3}\,\Omega$, where $\Omega$ is the particle’s resonance. We took a relatively short damping time with $\Omega\tau=32.5$. Fig.1.1(_right_) above illustrates the simple appearance of the integration volume, which determines most of the features of the force spectrum: it lies between zero-frequency plane $\omega^{\prime}=0$ and the medium light cone $\omega=k_{\parallel}/n$. The opening angle $\phi_{\max}$ of the intersection (measured in the ${\mathbf{k}}_{\parallel}$-plane, relative to the direction of the velocity ${\bf v}$) is given by the Cherenkov formula $\cos\phi_{\max}=\frac{\omega/v}{n\omega}=\frac{1}{nv}$ (19) where $v$ is the particle velocity (scaled to $c$). Fig.2.1(_left_) shows the impact of the particle’s plasmon resonance: the plane $\omega^{\prime}=-\Omega$ and the medium light cone intersect in a hyperbola whose opening angle (projected onto the ${\mathbf{k}}_{\parallel}$-plane) is again given by the Cherenkov formula (19)—the higher the speed of the particle, the more inclined the plane. The integrand roughly peaks near the apex of the hyperbola whose position is easily calculated to be $\omega_{\rm a}=\frac{\Omega}{\gamma(nv-1)}~{},\qquad k_{x{\rm a}}=\frac{n\Omega/c}{\gamma(nv-1)}~{},\qquad k_{y{\rm a}}=0~{}.$ (20) In Fig.2.1(_right_), we plot a slice at constant frequency through the spectral density $F_{x}(\omega,{\mathbf{k}}_{\parallel})$ of the friction force given by $\displaystyle F_{x}(\omega,{\mathbf{k}}_{\parallel})$ $\displaystyle=$ $\displaystyle\frac{4\hbar k_{x}}{\gamma(2\pi)^{3}}\mathop{\rm Im}\alpha[\gamma(\omega-vk_{x})]{\rm e}^{-2\kappa z}\sum_{\sigma=s,p}\frac{2k_{\parallel}q_{\sigma}\phi_{\sigma}(\omega,{\mathbf{k}}_{\parallel})}{q_{\sigma}^{2}\kappa^{2}+k_{\parallel}^{2}}~{},$ (21) where the imaginary part of the reflection amplitudes $r_{\sigma}$ was worked out from Eqs.(4), and $q_{s}=1$ and $q_{p}=n^{2}$. The density plot reveals how the resonances of the polarizability $\alpha(\omega^{\prime})$ select narrow stripes in the ${\mathbf{k}}_{\parallel}$ plane. Only the resonance $\omega^{\prime}=-\Omega$ (blue) lies in the integration domain relevant for quantum friction. These geometric considerations carry over when we integrate over $k_{x}$ and $k_{y}$ and consider the force spectrum. This is illustrated in Fig.2.1. Photon emission resonant with the particle plasmon resonance becomes dominant at velocities well above the Cherenkov threshold [Fig.2.1(_left_)]. Closer to the threshold, contributions at lower frequency arise from photons that are off-resonant, more precisely quasi-static, in the frame co-moving with the particle. Similar to Cherenkov radiation, they are boosted into the visible range by the Doppler shift. These photons arise from the nonzero value of the polarizability at low frequencies $\omega^{\prime}\ll\Omega:\quad\mathop{\rm Im}\alpha(\omega^{\prime})\approx 4\pi a^{3}\frac{\omega^{\prime}}{\Omega^{2}\tau}$ (22) Note that the only material parameter in this regime is the metal conductivity $\sigma=\varepsilon_{0}\Omega^{2}\tau$, see also Refs.[4, 27]. Our interpretation is confirmed in Fig.2.1(_right_) where the spectrum is also calculated in the lossless limit, using the approximate polarizability (18). Off-resonant photon emission is suppressed, and the frequency $\omega_{\rm a}$ from Eq.(20) provides a sharp threshold. Finally, the total friction force is plotted as a function of the particle velocity in Fig.4. Note again the relatively large difference between finite damping and the lossless limit near the Cherenkov threshold. | ---|--- Figure 3. Impact of particle velocity and plasmon damping on quantum friction. (_left_) Frequency spectrum $F_{x}(\omega)$ of the friction force for a silver nano-particle at different velocities above the Cherenkov threshold $c/n=0.5$, obtained by integrating $F_{x}(\omega,{\mathbf{k}}_{\parallel})$ over ${\mathbf{k}}_{\parallel}$. The arrows give the apex of the hyperbola [Eq.(20)] shown in the left plot. We used the quite arbitrary normalization factor $4\hbar(4\pi a^{3})(2\pi)^{-3}10^{-4}(\omega_{\rm pl}/c)^{4}\approx 3.4\,{\rm aN}/\omega_{\rm pl}$ for the force spectrum. We took a damping time fixed by $\Omega\tau=32.5$, which is shorter than in a bulk due to electron scattering at the nano particle surface [28, 29, 30, 31]. | (_right_) Comparison of the lossless case $1/\tau=0$ and a particle resonance with a finite width (same parameters as in Fig.2.1). The arrow indicates the frequency $\omega_{\rm a}$ [Eq.(20)] where the particle resonance $\omega^{\prime}=-\Omega$ intersects the light cone in the medium (apex of the hyperbola in Fig.2.1(_left_)). Same normalization as in Fig.2.1(_left_). ### 2.2 Approximations near threshold The integrals can be calculated approximately when the opening angle of the Cherenkov cone is very narrow ($v\approx 1/n$). The main features are captured by the reflection coefficient in p-polarization, expanded for small $\kappa_{n}$ [see Eq.(4)]. (See the Appendix for more details.) The formulas of this section are represented in dashed (gray) lines on Figs.2.1, 4: the agreement is quite remarkable. For a particle polarizability with a very narrow resonance, we find the approximate spectrum $\displaystyle\omega\geq\omega_{\rm a}:\quad$ $\displaystyle F_{x}(\omega){\rm d}\omega\approx-\frac{4\hbar(4\pi a^{3})}{(2\pi)^{3}}\frac{\pi^{2}\Omega}{8nv\gamma^{2}}{\rm d}\omega\,\omega k_{y{\rm max}}^{2}\,{\rm e}^{-2\omega z\sqrt{n^{2}-1}}\times$ (24) $\displaystyle\qquad{}\times\left(4+\frac{3k_{y{\rm max}}^{2}z}{\omega\sqrt{n^{2}-1}}\right)$ $\displaystyle k_{y{\rm max}}^{2}=(nv-1)\frac{\omega-\omega_{\rm a}}{v^{2}}\left[2\omega+(nv-1)(\omega+\omega_{\rm a})\right]$ where $\omega_{\rm a}$ is given by Eq.(20), and $k_{y{\rm max}}$ parametrizes the width of the hyperbola in Fig.2.1(_left_). This spectrum has a sharp threshold (dashed gray lines in Figs.2.1). If the polarizability includes damping, the contribution from quasi-static frequencies can be computed similarly, using the approximation (22). The resulting spectrum is $\displaystyle\omega\sim 0:\quad F_{x}(\omega){\rm d}\omega$ $\displaystyle\approx$ $\displaystyle-\frac{4\hbar(4\pi a^{3})}{(2\pi)^{3}}\frac{\pi(nv-1)^{3}}{n^{2}v^{6}\Omega^{2}\tau}{\rm d}\omega\,\omega^{5}\,{\rm e}^{-2\omega z\sqrt{n^{2}-1}}$ $\displaystyle\qquad{}\times\left(\frac{v^{2}}{20}+\frac{3nv^{3}}{20}+\frac{2n^{2}v^{4}}{15}\right.$ $\displaystyle\qquad\left.+\frac{(nv-1)\omega z}{280\sqrt{n^{2}-1}}(5+20nv+29n^{2}v^{2}+16n^{3}v^{3})\right)$ and peaks roughly at the inverse roundtrip time $1/(z\sqrt{n^{2}-1})$ (dashed lines in Fig.2.1(_right_)). As illustrated in the figure above, this approximation becomes quite poor away from the threshold, as frequencies above the validity of the low-frequency approximation (22) for $\mathop{\rm Im}\alpha(\omega^{\prime})$ become relevant. From both approximations for the spectra, the velocity-dependent friction force can be calculated, leading to: $\displaystyle\mbox{no damping}:$ $\displaystyle F_{x}\approx-\frac{4\hbar(4\pi a^{3})}{(2\pi)^{3}}\frac{\pi^{2}n^{3}}{8(n^{2}-1)^{3/2}}\frac{\omega_{\rm a}}{z^{4}}(v-1/n)^{2}{\rm e}^{-2\sqrt{n^{2}-1}\,\omega_{\rm a}z}$ (26) $\displaystyle\qquad{}\times\left(3+4\sqrt{n^{2}-1}\,\omega_{\rm a}z+2(n^{2}-1)(\omega_{\rm a}z)^{2}\right)$ $\displaystyle\mbox{with damping}:\quad$ $\displaystyle F_{x}\approx-\frac{4\hbar(4\pi a^{3})}{(2\pi)^{3}}\frac{5\pi n^{5}}{8(n^{2}-1)^{3}}\frac{(v-1/n)^{3}}{z^{6}\Omega^{2}\tau}$ (27) $\displaystyle\qquad{}\times\left(1+(v-1/n)\frac{11n-2n^{3}}{4(n^{2}-1)}+{\cal O}(v-1/n)^{5}\right)$ In both cases, we have simplified the complicated polynomial in $v$ to the lowest order above $1/n$. The dependence on the threshold frequency $\omega_{\rm a}\sim(v-1/n)^{-1}$ makes the no-damping result exponentially small at threshold, while damping leads to a cubic power law $\sim(v-1/n)^{3}$. We also emphasize the different power laws with distance $z$ from the surface; the corrections to the no-damping case in Eq.(26) are quite significant for our parameters, as we have the relatively large value $\omega_{\rm a}z\approx 2.2$ at $v=0.55\,c$. The numerical calculation for a particle with damping agrees quite well with formula (27) close to the threshold velocity. Around $v\sim 0.53$, the contribution from the resonance takes over and the dependence on the damping constant become negligible. Figure 4: Total friction force vs. particle velocity (log scale). The arrow indicates the Cherenkov threshold $v=c/n$. Similar to Fig.2.1, the force is normalized to the value $(2/\pi^{2})10^{-4}\hbar(\omega_{\rm pl}^{5}/c^{4})a^{3}$, i.e., an acceleration of $\approx 2900\,{\rm m/s}^{2}$. ## Conclusion We investigated a neutral particle moving in close proximity parallel to a dielectric. Studying the expression (1) that was derived from a fully relativistic extension of the fluctuation-dissipation theorem, we provided a connection to a fundamental and simple friction mechanism. If the particle moves faster than the speed of light inside the medium (Cherenkov condition), it can dissipate energy by creating pairs of excitations. Unlike as in Ref.[13], the pairs are excitations of the particle and photon modes propagating in the medium. These modes change the sign of their frequency under the Doppler shift (anomalous Doppler effect [21, 32]). This leads to an S-matrix in the form of a Bogoliubov transformation that spontaneously excites the particle and generates a photon emitted into the medium [25, 7, 9]. The mechanism we described is another example of an unstable vacuum state in a quantum field theory [26]. The main features of Cherenkov friction were explained in geometrical terms by analyzing the frequency spectrum of the force. In order to provide a concrete example, we considered a metallic nano particle whose polarizability is dominated by a plasmon resonance. We found a remarkable agreement of the numerical data with an expansion of the force and the force spectrum in $(v-c/n)$ near the threshold. The approximate expressions further illustrated the role of the low frequency behavior of the particles polarizability and its plasmon resonance. In order to connect with the current discussion on quantum friction [5, 12, 13, 33], we note that in its simplest form, Cherenkov friction does not require damping in either the particle or the surface. We studied the impact of dissipation in the particle (as described by a damped plasmon mode) and found that this significantly changes the friction force just above the Cherenkov velocity, while maintaining strictly zero friction below the threshold. This changes, however, when finite temperatures are introduced, or absorption is allowed for in the surface. Our general result for the radiative force is identical to that of Ref.[15]. The general setting for the field quantization (lossless and non-dispersive dielectric) is the same as in Ref.[23], however, a different particle is considered there (self-energy of a moving electron). The approach of Ref.[34] is limited to friction forces linear in the relative velocity of two systems which are both at the same temperature. The vanishing of linear friction at $T=0$ is consistent with our analysis. The investigation in Ref.[13] uses a different model for the particle’s polarizability: a microscopic two-level system with radiative damping only. In the description of the field modes near the surface, damping (absorption) is allowed for, and only electrostatic fields are considered (non-relativistic limit). We emphasize in particular that the excitations that lead to frictional losses are pairs of surface plasmons in Ref.[13]. A comprehensive picture where the weight of this excitation process can be compared directly to the spontaneous particle excitation studied here still needs to be developed. The simple setting put forward in this paper may provide a route towards such a picture. ### Acknowledgements We thank V. E. Mkrtchian, H. R. Haakh, and J. Schiefele for helpful discussions in various stages of this work. ## Appendix For the sake of convenience we repeat the general expression for the force at $T=0$: $\displaystyle F_{x}$ $\displaystyle=$ $\displaystyle\frac{4\hbar}{\gamma(2\pi)^{3}}\int\limits^{\infty}_{0}{\rm d}\omega\int\limits^{n\omega}_{\omega/v}{\rm d}k_{x}\int\limits^{\sqrt{n^{2}\omega^{2}-k_{x}^{2}}}_{0}{\rm d}k_{y}$ (28) $\displaystyle\quad{}\times k_{x}\,{\rm Im}\alpha[\gamma(\omega- vk_{x})]\sum_{\sigma=s,p}\phi_{\sigma}(\omega,{\mathbf{k}}_{\parallel})\mathop{\rm Im}\left(r_{\sigma}\right)\frac{{\rm e}^{-2\kappa z}}{\kappa}~{},$ Close to the threshold ($v-1/n$ becomes small) the range in $k_{x}$ becomes narrow ($c=1$): $n\omega-\frac{\omega}{v}=\frac{\omega}{v}(nv-1)\approx n\omega(nv-1)~{}.$ (29) For the range in $k_{y}$ we find: $|k_{y}|\leq\sqrt{(n\omega)^{2}-k_{x}^{2}}=\sqrt{(n\omega- k_{x})(n\omega+k_{x})}\leq\omega\sqrt{(2n/v)(nv-1)}~{}.$ (30) Hence the wave vectors in the reflection coefficients become $\displaystyle n^{2}\omega^{2}-\frac{\omega^{2}(n^{2}v^{2}-1)}{v^{2}}\leq k_{\parallel}^{2}\leq n^{2}\omega^{2}~{},$ (31) $\displaystyle(n^{2}-1)\omega^{2}-\frac{\omega^{2}(n^{2}v^{2}-1)}{v^{2}}\leq\kappa^{2}\leq(n^{2}-1)\omega^{2}~{},$ (32) $\displaystyle 0\leq\kappa_{n}^{2}\leq\frac{\omega^{2}(n^{2}v^{2}-1)}{v^{2}}~{}.$ (33) For small values of $\kappa_{n}$ the reflection coefficients thus scale like $\mathop{\rm Im}r_{\sigma}\sim\sqrt{nv-1}$. For the integration domain in frequency, we distinguish whether the particle is lossy or lossless: lossy: $\displaystyle 0\leq\omega<{\cal O}[1/(z\sqrt{n^{2}-1})]<\infty~{},$ no loss: $\displaystyle\omega_{\rm a}=\frac{\Omega/\gamma}{nv-1}\leq\omega<{\cal O}[1/(z\sqrt{n^{2}-1})]<\infty$ (34) where the upper limit arises from the exponential ${\rm e}^{-2\kappa z}$. For the comoving frequency $\omega^{\prime}=\gamma(\omega-vk_{x})$ we find: lossy: $\displaystyle 0\leq-\omega^{\prime}\leq\gamma\omega(nv-1)<{\cal O}[\gamma(nv-1)/(z\sqrt{n^{2}-1})]~{},$ no loss: $\displaystyle-\omega^{\prime}=\Omega~{}.$ (35) Hence we see how the relevant frequency ranges are separated by a considerable margin between the lossy and the lossless case. This suggests that we can capture both from two different approximations. Note that the lossy case is dominated by a range of quasi-static frequencies which becomes narrower, the closer the velocity gets to the Cherenkov threshold (difference $v-1/n$). ## Particle with no losses In the case of no losses we approximate the particle’s resonance with a $\delta$-distribution. Formally this is done by taking the limit $1/\tau\rightarrow 0$ in Eq.(17). Because we only have to focus on $\omega<0$ we find [see also Eq.(18)]: $\displaystyle(4\pi a^{3})\mathop{\rm Im}\frac{\Omega^{2}}{\Omega^{2}-\omega^{2}-{\rm i}\omega/\tau}\approx-(4\pi a^{3})\frac{\pi}{2}\delta(\omega+\Omega)~{}.$ (36) The oscillator strength $\mathop{\rm Im}\alpha(\omega^{\prime})$ thus fixes the $k_{x}$-wave vector to (label ‘a’ from ‘apex’ of hyperbola) $\mbox{no loss:}\quad k_{x}=k_{x{\rm a}}=\frac{\omega+\Omega/\gamma}{v}\,,\qquad\omega>\omega_{\rm a}=\frac{\Omega/\gamma}{nv-1}~{}.$ (37) Note that $\omega$ becomes ‘large’ near the threshold $nv=1$. The expressions for wave vectors $\kappa$ and $\kappa_{n}$ read $\displaystyle k_{y{\rm max}}^{2}$ $\displaystyle=$ $\displaystyle(n\omega)^{2}-k_{x{\rm a}}^{2}~{},$ (38) $\displaystyle\kappa_{n}^{2}$ $\displaystyle=$ $\displaystyle k_{y{\rm max}}^{2}-k_{y}^{2}~{},$ (39) $\displaystyle\kappa$ $\displaystyle\approx$ $\displaystyle\sqrt{n^{2}-1}\,\omega-\frac{k_{y{\rm max}}^{2}-k_{y}^{2}}{2\sqrt{n^{2}-1}\,\omega}~{}.$ (40) For the reflection coefficients this yields the approximation (keeping only the lowest order in $\kappa$) $\mathop{\rm Im}r_{p}\approx\frac{2}{n^{2}\sqrt{n^{2}-1}}\frac{k_{y{\rm max}}}{\omega}(1-q_{y}^{2})^{1/2}$ (41) where $0\leq q_{y}\leq 1$ is a scaled version of $k_{y}=q_{y}k_{y{\rm max}}$. For the exponential, we include the next order of $\kappa$ and take $\frac{{\rm e}^{-2\kappa z}}{\kappa}\approx\frac{{\rm e}^{-2\omega z\sqrt{n^{2}-1}}}{\omega\sqrt{n^{2}-1}}\left[1+\frac{zk_{y{\rm max}}^{2}}{\sqrt{n^{2}-1}\,\omega}(1-q_{y}^{2})\right]~{}.$ (42) We find that the p-polarization yields the leading contribution and use the lowest-order approximation $\displaystyle\phi_{p}(\omega,{\mathbf{k}}_{\parallel})$ $\displaystyle=$ $\displaystyle 2\omega^{2}(n^{2}-1)+{\cal O}[\omega^{2}(nv-1)]~{},$ (43) $\displaystyle\phi_{s}(\omega,{\mathbf{k}}_{\parallel})$ $\displaystyle=$ $\displaystyle{\cal O}[\omega^{2}(nv-1)]~{}.$ (44) Putting everything together in the leading order, we get the approximate expression $\displaystyle F_{x}$ $\displaystyle\approx$ $\displaystyle-\frac{4\hbar(4\pi a^{3})}{(2\pi)^{3}}\frac{2\pi\Omega}{nv\gamma^{2}}\int\limits_{\omega_{\rm a}}^{\infty}\\!{\rm d}\omega\,\omega k_{y{\rm max}}^{2}\,{\rm e}^{-2\omega z\sqrt{n^{2}-1}}$ (45) $\displaystyle\qquad{}\times\int\limits^{1}_{0}\\!{\rm d}q_{y}\,(1-q_{y}^{2})^{1/2}\left[1+\frac{zk_{y{\rm max}}^{2}}{\omega\sqrt{n^{2}-1}}(1-q_{y}^{2})\right]~{}.$ A convenient formulation for $k_{y{\rm max}}^{2}=(nv-1)\frac{\omega-\omega_{\rm a}}{v^{2}}\left[2\omega+(nv-1)(\omega+\omega_{\rm a})\right]$ (46) shows the scaling above threshold. The $q_{y}$-integral can be performed and produces Eq.(24). ## Particle with losses As outlined in the estimates above, we can use the low-frequency approximation $\omega^{\prime}\ll\Omega:\quad\mathop{\rm Im}\alpha(\omega^{\prime})\approx 4\pi a^{3}\frac{\omega^{\prime}}{\Omega^{2}\tau}~{}.$ (47) for the polarizability. This assumes that the frequency range for $\omega^{\prime}$ near zero is sufficient to capture the integral and ignores the resonant peak. The integrals that must be performed are $\displaystyle F_{x}$ $\displaystyle\approx$ $\displaystyle-\frac{4\hbar(4\pi a^{3})}{(2\pi)^{3}}\frac{4n^{2}}{\Omega^{2}\tau}\int\limits_{0}^{\infty}\\!{\rm d}\omega\,\omega^{5}\,{\rm e}^{-2\omega z\sqrt{n^{2}-1}}$ (48) $\displaystyle\qquad\int\limits_{1/(nv)}^{1}\\!{\rm d}q_{x}\,q_{x}(1-q_{x}^{2})(vnq_{x}-1)$ $\displaystyle\qquad\int\limits_{0}^{1}\\!{\rm d}q_{y}\,\sqrt{1-q_{y}^{2}}\left[1+\frac{\omega zn^{2}(1-q_{x}^{2})}{\sqrt{n^{2}-1}}(1-q_{y}^{2})\right]~{}.$ The $q_{y}$-integral is the same as before [Eq.(24)] and gives $\displaystyle F_{x}$ $\displaystyle\approx$ $\displaystyle-\frac{4\hbar(4\pi a^{3})}{(2\pi)^{3}}\frac{4n^{2}}{\Omega^{2}\tau}\int\limits_{0}^{\infty}\\!{\rm d}\omega\,\omega^{5}\,{\rm e}^{-2\omega z\sqrt{n^{2}-1}}$ (49) $\displaystyle\qquad\int\limits_{1/(nv)}^{1}\\!{\rm d}q_{x}\,q_{x}(1-q_{x}^{2})(vnq_{x}-1)\frac{\pi}{4}\left(1+\frac{3\omega zn^{2}(1-q_{x}^{2})}{4\sqrt{n^{2}-1}}\right)~{}.$ The $q_{x}$-integral yields the force spectrum in eq.(2.2). ## References * [1] E.V. Teodorovich. On the contribution of macroscopic Van Der Waals interactions to frictional force. Proc. Roy. Soc. (London) A, 362:71–77, 1978. * [2] L.S. Levitov. Van der Waals’ friction. Europhys. Lett., 8:499, (1989). * [3] V. G. Polevoi. Tangential molecular forces caused between moving bodies by a fluctuating electromagnetic field. Sov. Phys. JETP, 71(6):1119–24, 1990. * [4] J.B. Pendry. Shearing the vacuum—quantum friction. J. Phys.: Cond. Matt., 9:10301, 1997. * [5] T.G. Philbin and U. Leonhardt. No quantum friction between uniformly moving plates. New J. Phys., 11:033035, 2009. * [6] Mehran Kardar and Ramin Golestanian. The “friction” of vacuum, and other fluctuation-induced forces. Rev. Mod. Phys., 71(4):1233–45, 1999. * [7] P. C. W. Davies. Quantum vacuum friction. J. Opt. B: Quant. Semiclass. Opt., 7(3):S40, 2005. * [8] A.I. Volokitin and B.N.J. Persson. Near-field radiative heat transfer and noncontact friction. Rev. Mod. Phys., 79(4):1291–1329, 2007. * [9] Mohammad F. 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arxiv-papers
2014-02-18T22:41:09
2024-09-04T02:49:58.400009
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Gregor Pieplow and Carsten Henkel", "submitter": "Gregor Pieplow", "url": "https://arxiv.org/abs/1402.4518" }
1402.4525
11institutetext: Department of Computer Science University of Miami 1365 Memorial Drive, Coral Gables, FL, 33146 USA {saminda,aseek,visser}@cs.miami.edu # Off-Policy General Value Functions to Represent Dynamic Role Assignments in RoboCup 3D Soccer Simulation Saminda Abeyruwan Andreas Seekircher Ubbo Visser ###### Abstract Collecting and maintaining accurate world knowledge in a dynamic, complex, adversarial, and stochastic environment such as the RoboCup 3D Soccer Simulation is a challenging task. Knowledge should be learned in real-time with time constraints. We use recently introduced Off-Policy Gradient Descent algorithms within Reinforcement Learning that illustrate learnable knowledge representations for dynamic role assignments. The results show that the agents have learned competitive policies against the top teams from the RoboCup 2012 competitions for three vs three, five vs five, and seven vs seven agents. We have explicitly used subsets of agents to identify the dynamics and the semantics for which the agents learn to maximize their performance measures, and to gather knowledge about different objectives, so that all agents participate effectively and efficiently within the group. ynamic Role Assignment Function, Reinforcement Learning, GQ($\lambda$), Greedy-GQ($\lambda$), Off-PAC, Off-Policy Prediction and Control, and RoboCup 3D Soccer Simulation. ###### Keywords: D ## 1 Introduction The RoboCup 3D Soccer Simulation environment provides a dynamic, real-time, complex, adversarial, and stochastic multi-agent environment for simulated agents. The simulated agents formalize their goals in two layers: 1. the physical layers, where controls related to walking, kicking etc. are conducted; and 2. the decision layers, where high level actions are taken to emerge behaviors. In this paper, we investigate a mechanism suitable for decision layers to use recently introduced Off-Policy Gradient Decent Algorithms in Reinforcement Leaning (RL) that illustrate learnable knowledge representations to learn about a dynamic role assignment function. In order to learn about an effective dynamic role assignment function, the agents need to consider the dynamics of agent-environment interactions. We consider these interactions as the agent’s knowledge. If this knowledge is represented in a formalized form (e.g., first-order predicate logic) an agent could infer many aspects about its interactions consistent with that knowledge. The knowledge representational forms show different degrees of computational complexities and expressiveness [22]. The computational requirements increase with the extension of expressiveness of the representational forms. Therefore, we need to identify and commit to a representational form, which is scalable for on-line learning while preserving expressivity. A human soccer player knows a lot of information about the game before (s)he enters onto the field and this prior knowledge influences the outcome of the game to a great extent. In addition, human soccer players dynamically change their knowledge during games in order to achieve maximum rewards. Therefore, the knowledge of the human soccer player is to a certain extent either predictive or goal-oriented. Can a robotic soccer player collect and maintain predictive and goal-oriented knowledge? This is a challenging problem for agents with time constraints and limited computational resources. We learn the role assignment function using a framework that is developed based on the concepts of Horde, the real-time learning methodology, to express knowledge using General Value Functions (GVFs) [22]. Similar to Horde’s sub- agents, the agents in a team are treated as independent RL sub-agents, but the agents take actions based on their belief of the world model. The agents may have different world models due to noisy perceptions and communication delays. The GVFs are constituted within the RL framework. They are predictions or off- policy controls that are answers to questions. For example, in order to make a prediction a question must be asked of the form “If I move in this formation, would I be in a position to score a goal?”, or “What set of actions do I need to block the progress of the opponent agent with the number 3?”. The question defines what to learn. Thus, the problem of prediction or control can be addressed by learning value functions. An agent obtains its knowledge from information communicated back and forth between the agents and the agent- environment interaction experiences. There are primarily two algorithms to learn about the GVFs, and these algorithms are based on Off-Policy Gradient Temporal Difference (OP-GTD) learning: 1. with action-value methods, a prediction question uses GQ($\lambda$) algorithm [8], and a control or a goal-oriented question uses Greedy-GQ($\lambda$) algorithm [9]. These algorithms learned about a deterministic target policies and the control algorithm finds the greedy action with respect to the action-value function; and 2. with policy-gradient methods, a goal-oriented question can be answered using Off-Policy Actor- Critic algorithm [24], with an extended state-value function, GTD($\lambda$) [7], for GVFs. The policy gradient methods are favorable for problems having stochastic optimal policies, adversarial environments, and problems with large action spaces. The OP-GTD algorithms possess a number of properties that are desirable for on-line learning within the RoboCup 3D Soccer Simulation environment: 1. off-policy updates; 2. linear function approximation; 3. no restrictions on the features used; 4. temporal-difference learning; 5. on- line and incremental; 6. linear in memory and per-time-step computation costs; and 7. convergent to a local optimum or equilibrium point [23, 9]. In this paper, we present a methodology and an implementation to learn about a dynamic role assignment function considering the dynamics of agent-environment interactions based on GVFs. The agents ask questions and approximate value functions answer to those questions. The agents independently learn about the role assignment functions in the presence of an adversary team. Based on the interactions, the agents may have to change their roles in order to continue in the formation and to maximize rewards. There is a finite number of roles that an agent can commit to, and the GVFs learn about the role assignment function. We have conducted all our experiments in the RoboCup 3D Soccer Simulation League Environment. It is based on the general purpose multi-agent simulator SimSpark111http://svn.code.sf.net/p/simspark/svn/trunk/. The robot agents in the simulation are modeled based on the Aldebaran NAO222http://www.aldebaran-robotics.com/ robots. Each robot has 22 degrees of freedom. The agents communicate with the server through message passing and each agent is equipped with noise free joint perceptors and effectors. In addition to this, each agent has a noisy restricted vision cone of $120^{o}$. Every simulation cycle is limited to $20~{}ms$, where agents perceive noise free angular measurements of each joint and the agents stimulate the necessary joints by sending torque values to the simulation server. The vision information from the server is available every third cycle ($60~{}ms$), which provides spherical coordinates of the perceived objects. The agents also have the option of communicating with each other every other simulation cycle ($40~{}ms$) by broadcasting a $20~{}bytes$ message. The simulation league competitions are currently conducted with 11 robots on each side (22 total). The remainder of the paper is organized as follows: In Section 2, we briefly discuss knowledge representation forms and existing role assignment formalisms. In Section 3, we introduce GVFs within the context of robotic soccer. In Section 4, we formalize our mechanisms of dynamic role assignment functions within GVFs. In Section 5, we identify the question and answer functions to represent GVFs, and Section 6 presents the experiment results and the discussion. Finally, Section 7 contains concluding remarks, and future work. ## 2 Related Work One goal of multi-agent systems research is the investigation of the prospects of efficient cooperation among a set of agents in real-time environments. In our research, we focus on the cooperation of a set of agents in a real-time robotic soccer simulation environment, where the agents learn about an optimal or a near-optimal role assignment function within a given formation using GVFs. This subtask is particularly challenging compared to other simulation leagues considering the limitations of the environment, i.e. the limited locomotion capabilities, limited communication bandwidth, or crowd management rules. The role assignment is a part of the hierarchical machine learning paradigm [20, 19], where a formation defines the role space. Homogeneous agents can change roles flexibly within a formation to maximize a given reward function. RL framework offerers a set of tools to design sophisticated and hard-to- engineer behaviors in many different robotic domains (e.g., [4]). Within the domain of robotic soccer, RL has been successfully applied in learning the keep-away subtask in the RoboCup 2D [18] and 3D [16] Soccer Simulation Leagues. Also, in other RoboCup leagues, such as the Middle Size League, RL has been applied successfully to acquire competitive behaviors [2]. One of the noticeable impact on RL is reported by the Brainstormers team, the RoboCup 2D Simulation League team, on learning different subtasks [14]. A comprehensive analysis of a general batch RL framework for learning challenging and complex behaviors in robot soccer is reported in [15]. Despite convergence guarantees, Q($\lambda$) [21] with linear function approximation has been used in role assignment in robot soccer [5] and faster learning is observed with the introduction of heuristically accelerated methods [3]. The dynamic role allocation framework based on dynamic programming is described in [6] for real-time soccer environments. The role assignment with this method is tightly coupled with the agent’s low-level abilities and does not take the opponents into consideration. On the other hand, the proposed framework uses the knowledge of the opponent positions as well as other dynamics for the role assignment function. Sutton et al. [22] have introduced a real-time learning architecture, Horde, for expressing knowledge using General Value Functions (GVFs). Our research is built on Horde to ask a set of questions such that the agents assign optimal or near-optimal roles within formations. In addition, following researches describe methods and components to build strategic agents: [1] describes a methodology to build a cognizant robot that possesses vast amount of situated, reversible and expressive knowledge. [11] presents a methodology to “next” in real time predicting thousands of features of the world state, and [10] presents methods predict about temporally extended consequences of a robot’s behaviors in general forms of knowledge. The GVFs are successfully used (e.g., [13, 25]) for switching and prediction tasks in assistive biomedical robots. ## 3 Learnable knowledge representation for Robotic Soccer Recently, within the context of the RL framework [21], a knowledge representation language has been introduced, that is expressive and learnable from sensorimotor data. This representation is directly usable for robotic soccer as agent-environment interactions are conducted through perceptors and actuators. In this approach, knowledge is represented as a large number of approximate value functions each with its 1. own policy; 2. pseudo-reward function; 3. pseudo-termination function; and 4. pseudo-terminal-reward function[22]. In continuous state spaces, approximate value functions are learned using function approximation and using more efficient off-policy learning algorithms. First, we briefly introduce some of the important concepts related to the GVFs. The complete information about the GVFs are available in [22, 8, 9, 7]. Second, we show its direct application to simulated robotic soccer. ### 3.1 Interpretation The interpretation of the approximate value function as a knowledge representation language grounded on information from perceptors and actuators is defined as: ###### Definition 1 The knowledge expressed as an approximate value function is true or accurate, if its numerical values matches those of the mathematically defined value function it is approximating. Therefore, according to the Definition (1), a value function asks a question, and an approximate value function is the answer to that question. Based on prior interpretation, the standard RL framework extends to represent learnable knowledge as follows. In the standard RL framework [21], let the agent and the world interact in discrete time steps $t=1,2,3,\ldots$. The agent senses the state at each time step $S_{t}\in\mathcal{S}$, and selects an action $A_{t}\in\mathcal{A}$. One time step later the agent receives a scalar reward $R_{t+1}\in\mathbb{R}$, and senses the state $S_{t+1}\in\mathcal{S}$. The rewards are generated according to the reward function $r:S_{t+1}\rightarrow\mathbb{R}$. The objective of the standard RL framework is to learn the stochastic action-selection policy $\pi:\mathcal{S}\times\mathcal{A}\rightarrow[0,1]$, that gives the probability of selecting each action in each state, $\pi(s,a)=\pi(s|a)=\mathcal{P}(A_{t}=a|S_{t}=s)$, such that the agent maximizes rewards summed over the time steps. The standard RL framework extends to include a terminal-reward-function, $z:\mathcal{S}\rightarrow\mathbb{R}$, where $z(s)$ is the terminal reward received when the termination occurs in state $s$. In the RL framework, $\gamma\in[0,1)$ is used to discount delayed rewards. Another interpretation of the discounting factor is a constant probability of $1-\gamma$ termination of arrival to a state with zero terminal-reward. This factor is generalized to a termination function $\gamma:\mathcal{S}\rightarrow[0,1]$, where $1-\gamma(s)$ is the probability of termination at state $s$, and a terminal reward $z(s)$ is generated. ### 3.2 Off-Policy Action-Value Methods for GVFs The first method to learn about GVFs, from off-policy experiences, is to use action-value functions. Let $G_{t}$ be the complete return from state $S_{t}$ at time $t$, then the sum of the rewards (transient plus terminal) until termination at time $T$ is: $G_{t}=\sum_{k=t+1}^{T}r(S_{k})+z(S_{T}).$ The action-value function is: $Q^{\pi}(s,a)=\mathbb{E}(G_{t}|S_{t}=s,A_{t}=a,A_{t+1:T-1}\sim\pi,T\sim\gamma),$ where, $Q^{\pi}:\mathcal{S}\times\mathcal{A}\rightarrow\mathbb{R}$. This is the expected return for a trajectory started from state $s$, and action $a$, and selecting actions according to the policy $\pi$, until termination occurs with $\gamma$. We approximate the action-value function with $\hat{Q}:\mathcal{S}\times\mathcal{A}\rightarrow\mathbb{R}$. Therefore, the action-value function is a precise grounded question, while the approximate action-value function offers the numerical answer. The complete algorithm for Greedy-GQ($\lambda$) with linear function approximation for GVFs learning is as shown in Algorithm (1). 1:Initialize $w_{0}$ to $0$, and $\theta_{0}$ arbitrary. 2:Choose proper (small) positive values for $\alpha_{\theta}$, $\alpha_{w}$, and set values for $\gamma(.)\in(0,1]$, $\lambda(.)\in[0,1]$. 3:repeat 4: Initialize $e=0$. 5: Take $A_{t}$ from $S_{t}$ according to $\pi_{b}$, and arrive at $S_{t+1}$. 6: Observe sample, ($S_{t},A_{t},r(S_{t+1}),z(S_{t+1}),S_{t+1},$) at time step $t$ (with their corresponding state-action feature vectors), where $\hat{\phi}_{t+1}=\phi(S_{t+1},A_{t+1}^{*}),A_{t+1}^{*}=\operatornamewithlimits{argmax}_{b}{\bf\theta}_{t}^{\mathrm{T}}\phi(S_{t+1},b)$. 7: for each observed sample do 8: $\delta_{t}\leftarrow r(S_{t+1})+(1-\gamma(S_{t+1}))z(S_{t+1})+\gamma(S_{t+1})\theta_{t}^{\mathrm{T}}\hat{\phi}_{t+1}-\theta_{t}^{\mathrm{T}}\phi_{t}$. 9: If $A_{t}=A_{t}^{*}$, then $\rho_{t}\leftarrow\frac{1}{\pi_{b}(A_{t}^{*}|S_{t})}$; otherwise $\rho_{t}\rightarrow 0$. 10: $e_{t}\leftarrow I_{t}\phi_{t}+\gamma(S_{t})\lambda(S_{t})\rho_{t}e_{t-1}$. 11: $\theta_{t+1}\leftarrow\theta_{t}+\alpha_{\theta}[\delta_{t}e_{t}-\gamma(S_{t+1})(1-\lambda(S_{t+1}))(w_{t}^{\mathrm{T}}e_{t})\hat{\phi}_{t+1}]$. 12: $w_{t+1}\leftarrow w_{t}+\alpha_{w}[\delta_{t}e_{t}-(w_{t}^{\mathrm{T}}\phi_{t})\phi_{t})]$. 13: end for 14:until each episode. Algorithm 1 Greedy-GQ($\lambda$) with linear function approximation for GVFs learning [7]. The GVFs are defined over four functions: $\pi,\gamma,r,\mbox{and }z$. The functions $r\mbox{ and }z$ act as pseudo-reward and pseudo-terminal-reward functions respectively. Function $\gamma$ is also in pseudo form as well. However, $\gamma$ function is more substantive than reward functions as the termination interrupts the normal flow of state transitions. In pseudo termination, the standard termination is omitted. In robotic soccer, the base problem can be defined as the time until a goal is scored by either the home or the opponent team. We can consider a pseudo-termination has occurred when the striker is changed. The GVF with respect to a state-action function is defined as: $Q^{\pi,\gamma,r,z}(s,a)=\mathbb{E}(G_{t}|S_{t}=s,A_{t}=a,A_{t+1:T-1}\sim\pi,T\sim\gamma).$ The four functions, $\pi,\gamma,r,\mbox{and }z$, are the question functions to GVFs, which in return defines the general value function’s semantics. The RL agent learns an approximate action-value function, $\hat{Q}$, using the four auxiliary functions $\pi,\gamma,r$ and $z$. We assume that the state space is continuous and the action space is discrete. We approximate the action-value function using a linear function approximator. We use a feature extractor $\mathcal{\phi}:S_{t}\times A_{t}\rightarrow\\{0,1\\}^{N},N\in\mathbb{N}$, built on tile coding [21] to generate feature vectors from state variables and actions. This is a sparse vector with a constant number of “1” features, hence, a constant norm. In addition, tile coding has the key advantage of real-time learning and to implement computationally efficient algorithms to learn approximate value functions. In linear function approximation, there exists a weight vector, $\theta\in\mathbb{R}^{N},N\in\mathbb{N}$, to be learned. Therefore, the approximate GVFs are defined as: $\hat{Q}(s,a,\theta)=\theta^{\mathrm{T}}\phi(s,a),$ such that, $\hat{Q}:\mathcal{S}\times\mathcal{A}\times\mathbb{R}^{N}\rightarrow\mathbb{R}$. Weights are learned using the gradient-descent temporal-difference Algorithm (1) [7]. The Algorithm learns stably and efficiently using linear function approximation from off-policy experiences. Off-policy experiences are generated from a behavior policy, $\pi_{b}$, that is different from the policy being learned about named as target policy, $\pi$. Therefore, one could learn multiple target policies from the same behavior policy. ### 3.3 Off-Policy Policy Gradient Methods for GVFs The second method to learn about GVFs is using the off-policy policy gradient methods with actor-critic architectures that use a state-value function suitable for learning GVFs. It is defined as: $V^{\pi,\gamma,r,z}(s)=\mathbb{E}(G_{t}|S_{t}=s,A_{t:T-1}\sim\pi,T\sim\gamma),$ where, $V^{\pi,\gamma,r,z}(s)$ is the true state-value function, and the approximate GVF is defined as: $\hat{V}(s,v)=v^{\mathrm{T}}\phi(s),$ where, the functions $\pi,\gamma,r,\mbox{and }z$ are defined as in the subsection (3.2). Since our the target policy $\pi$ is discrete stochastic, we use a Gibbs distribution of the form: $\pi(a|s)=\frac{e^{u^{\mathrm{T}}\phi(s,a)}}{\sum_{b}e^{u^{\mathrm{T}}\phi(s,b)}},$ where, $\phi(s,a)$ are state-action features for state $s$, and action $a$, which are in general unrelated to state features $\phi(s)$, that are used in state-value function approximation. $u\in\mathbb{R}^{N_{u}},N_{u}\in\mathbb{N}$, is a weight vector, which is modified by the actor to learn about the stochastic target policy. The log- gradient of the policy at state $s$, and action $a$, is: $\frac{\nabla_{u}\pi(a|s)}{\pi(a|s)}=\phi(s,a)-\sum_{b}\pi(b|s)\phi(s,b).$ The complete algorithm for Off-PAC with linear function approximation for GVFs learning is as shown in Algorithm (2). 1:Initialize $w_{0}$ to $0$, and $v_{0}$ and $u_{0}$ arbitrary. 2:Choose proper (small) positive values for $\alpha_{v}$, $\alpha_{w}$, $\alpha_{u}$, and set values for $\gamma(.)\in(0,1]$, $\lambda(.)\in[0,1]$. 3:repeat 4: Initialize $e^{v}=0,\mbox{and }e^{u}=0$. 5: Take $A_{t}$ from $S_{t}$ according to $\pi_{b}$, and arrive at $S_{t+1}$. 6: Observe sample, ($S_{t},A_{t},r(S_{t+1}),z(S_{t+1}),S_{t+1}$) at time step $t$ (with their corresponding state ($\phi_{t},\phi_{t+1}$) feature vectors, where $\phi_{t}=\phi(S_{t})$). 7: for each observed sample do 8: $\delta_{t}\leftarrow r(S_{t+1})+(1-\gamma(S_{t+1}))z(S_{t+1})+\gamma(S_{t+1})v_{t}^{\mathrm{T}}\phi_{t+1}-v_{t}^{\mathrm{T}}\phi_{t}$. 9: $\rho_{t}\leftarrow\frac{\pi(A_{t}|S_{t})}{\pi_{b}(A_{t}|S_{t})}$. 10: Update the critic (GTD($\lambda$) algorithm for GVFs). 11: $e^{v}_{t}\leftarrow\rho_{t}(\phi_{t}+\gamma(S_{t})\lambda(S_{t})e^{v}_{t-1})$. 12: $v_{t+1}\leftarrow v_{t}+\alpha_{v}[\delta_{t}e^{v}_{t}-\gamma(S_{t+1})(1-\lambda(S_{t+1}))({e^{v}_{t}}^{\mathrm{T}}w_{t})\phi_{t+1}]$. 13: $w_{t+1}\leftarrow w_{t}+\alpha_{w}[\delta_{t}e_{t}-(w_{t}^{\mathrm{T}}\phi_{t})\phi_{t})]$. 14: Update the actor. 15: $e^{u}_{t}\leftarrow\rho_{t}\left[\frac{\nabla_{u}\pi(A_{t}|S_{t})}{\pi(A_{t}|S_{t})}+\gamma(S_{t})\lambda(S_{t+1})e^{u}_{t-1}\right]$. 16: $u_{t+1}\leftarrow u_{t}+\alpha_{u}\delta_{t}e^{u}_{t}$. 17: end for 18:until each episode. Algorithm 2 Off-PAC with linear function approximation for GVFs learning [7, 24]. We are interested in finding optimal policies for the dynamic role assignment, and henceforth, we use Algorithms (1), and (2) for control purposes333We use an C++ implementation of Algorithm (1) and (2) in all of our experiments. An implementation is available in https://github.com/samindaa/RLLib. We use linear function approximation for continuous state spaces, and discrete actions are used within options. Lastly, to summarize, the definitions of the question functions and the answer functions are given as: ###### Definition 2 The question functions are defined by: 1. 1. $\pi:S_{t}\times A_{t}\rightarrow[0,1]$ 35mm (target policy is greedy w.r.t. learned value function); 2. 2. $\gamma:S_{t}\rightarrow[0,1]$ 35mm (termination function); 3. 3. $r:S_{t+1}\rightarrow\mathbb{R}$ 35mm (transient reward function); and 4. 4. $z:S_{t+1}\rightarrow\mathbb{R}$ 35mm (terminal reward function). ###### Definition 3 The answer functions are defined by: 1. 1. $\pi_{b}:S_{t}\times A_{t}\rightarrow[0,1]$ 35mm (behavior policy); 2. 2. $I_{t}:S_{t}\times A_{t}\rightarrow[0,1]$ 35mm (interest function); 3. 3. $\phi:S_{t}\times A_{t}\rightarrow\mathbb{R}^{N}$ 35mm (feature-vector function); and 4. 4. $\lambda:S_{t}\rightarrow[0,1]$ 35mm (eligibility-trace decay-rate function). ## 4 Dynamic Role Assignment A role is a specification of an internal or an external behavior of an agent. In our soccer domain, roles select behaviors of agents based on different reference criteria: the agent close to the ball becomes the striker. Given a role space, $\mathcal{R}=\\{r_{1},\ldots,r_{n}\\}$, of size $n$, the collaboration among $m\leq n$ agents, $\mathcal{A}=\\{a_{1},\dots,a_{m}\\}$, is obtained through formations. The role space consists of active and reactive roles. For example, the striker is an active role and the defender could be a reactive role. Given a reactive role, there is a function, $R\mapsto T$, that maps roles to target positions, $T$, on the field. These target positions are calculated with respect to a reference pose (e.g., ball position) and other auxiliary criteria such as crowd management rules. A role assignment function, $R\mapsto A$, provides a mapping from role space to agent space, while maximizing some reward function. The role assignment function can be static or dynamic. Static role assignments often provide inferior performance in robot soccer [6]. Therefore, we learn a dynamic role assignment function within the RL framework using off-policy control. Figure 1: Primary formation, [17] ### 4.1 Target Positions with the Primary Formation Within our framework, an agent can choose one role among thirteen roles. These roles are part of a primary formation, and an agent calculates the respective target positions according to its belief of the absolute ball position and the rules imposed by the 3D soccer simulation server. We have labeled the role space in order to describe the behaviors associated with them. Figure (1) shows the target positions for the role space before the kickoff state. The agent closest to the ball takes the striker role (SK), which is the only active role. Let us assume that the agent’s belief of the absolute ball position is given by $(x_{b},y_{b})$. Forward left (FL) and forward right (FR) target positions are offset by $(x_{b},y_{b})\pm(0,2)$. The extended forward left (EX1L) and extended forward right ((EX1R)) target positions are offset by $(x_{b},y_{b})\pm(0,4)$. The stopper (ST) position is given by $(x_{b}-2.0,y_{b})$. The extended middle (EX1M) position is used as a blocking position and it is calculated based on the closest opponent to the current agent. The other target positions, wing left (WL), wing right (WR), wing middle (WM), back left (BL), back right (BR), and back middle (BM) are calculated with respect to the vector from the middle of the home goal to the ball and offset by a factor which increases close to the home goal. When the ball is within the reach of goal keeper, the (GK) role is changed to goal keeper striker (GKSK) role. We slightly change the positions when the ball is near the side lines, home goal, and opponent goal. These adjustments are made in order to keep the target positions inside the field. We allow target positions to be overlapping. The dynamic role assignment function may assign the same role during the learning period. In order to avoid position conflicts an offset is added; the feedback provides negative rewards for such situations. ### 4.2 Roles to RL Action Mapping The agent closest to the ball becomes the striker, and only one agent is allowed to become the striker. The other agents except the goalie are allowed to choose from twelve roles. We map the available roles to discrete actions of the RL algorithm. In order to use Algorithm 1, an agent must formulate a question function using a value function, and the answer function provides the solution as an approximate value function. All the agents formulate the same question: What is my role in this formation in order to maximize future rewards? All agents learn independently according to the question, while collaboratively aiding each other to maximize their future reward. We make the assumption that the agents do not communicate their current role. Therefore, at a specific step, multiple agents may commit to the same role. We discourage this condition by modifying the question as What is my role in this formation in order to maximize future rewards, while maintaining a completely different role from all teammates in all time steps? Figure 2: State variable representation and the primary function. Some field lines are omitted due to clarity. ### 4.3 State Variables Representation Figure 2 shows the schematic diagram of the state variable representation. All points and vectors in Figure 2 are defined with respect to a global coordinate system. $h$ is the middle point of the home goal, while $o$ is the middle point of the opponent goal. $b$ is the ball position. $\parallel$.$\parallel$ represents the vector length, while $\angle pqr$ represents the angle among three points $p,~{}q,\mbox{ and }r$ pivoted at $q$. $a_{i}$ represents the self-localized point of the $i=1,\ldots,11$ teammate agent. $y_{i}$ is some point in the direction of the robot orientation of teammate agents. $c_{j}$, $j=1,\ldots,11$, represents the mid-point of the tracked opponent agent. $x$ represents a point on a vector parallel to unit vector $e_{x}$. Using these labels, we define the state variables as: $\displaystyle\\{\parallel\vec{v}_{hb}\parallel,\parallel\vec{v}_{bo}\parallel,\angle hbo,\\{\parallel\vec{v}_{a_{i}b}\parallel,\angle y_{i}a_{i}b,\angle a_{i}bx\\}_{i=n_{start}}^{n_{end}},\\{\parallel\vec{v}_{c_{j}b}\parallel,\angle c_{j}bx,\\}_{j=1}^{m_{max}}\\}.$ $n_{start}$ is the teammate starting id and $n_{end}$ the ending id. $m_{max}$ is the number of opponents considered. Angles are normalized to [$-\frac{\pi}{2},\frac{\pi}{2}$]. ## 5 Question and Answer Functions There are twelve actions available in each state. We have left out the striker role from the action set. The agent nearest to the ball becomes the striker. All agents communicate their belief to other agents. Based on their belief, all agents calculate a cost function and assign the closest agent as the striker. We have formulated a cost function based on relative distance to the ball, angle of the agent, number of teammates and opponents within a region near the ball, and whether the agents are active. In our formulation, there is a natural termination condition; scoring goals. With respect to the striker role assignment procedure, we define a pseudo-termination condition. When an agent becomes a striker, a pseudo-termination occurs, and the striker agent does not participate in the learning process unless it chooses another role. We define the question and answer functions as follows: ### 5.1 GVF Definitions for State-Action Functions Question functions: 1. 1. $\pi=$ greedy w.r.t. $\hat{Q}$, 2. 2. $\gamma(.)=0.8$, 3. 3. $r(.)=$ (a) the change of $x$ value of the absolute ball position; (b) a small negative reward of $0.01$ for each cycle; (c) a negative reward of $5$ is given to all agents within a radius of 1.5 meters; 4. 4. $z(.)=$ (a) $+100$for scoring against opponent; (b) $-100$for opponent scoring; and 5. 5. $\mbox{time step}=2$ seconds. Answer functions: 1. 1. $\pi_{b}=$ $\epsilon$-greedy w.r.t. target state-action function, 2. 2. $\epsilon=0.05$, 3. 3. $I_{t}(.)=1$, 4. 4. $\phi(.,.)=$ (a) we use tile coding to formulate the feature vector. $n_{start}=2$ and $n_{end}=3,5,7$. $m_{max}=3,5,7$. Therefore, there are $18,28,30$ state variables. (b) state variable is independently tiled with 16 tilings with approximately each with $\frac{1}{16}$ generalization. Therefore, there are $288+1,448+1,608+1$ active tiles (i.e., tiles with feature 1) hashed to a binary vector dimension $10^{6}+1$. The bias feature is always active, and 5. 5. $\lambda(.)=0.8$. Parameters: • 6mm 1. $\parallel{\bf{\theta}}\parallel=\parallel{\bf w}\parallel=10^{6}+1$; 2. $\parallel{\bf e}\parallel=2000$(efficient trace implementation); 6mm 3. $\alpha_{\theta}=\frac{0.01}{289},\frac{0.01}{449},\frac{0.01}{609}$; and 4. $\alpha_{w}=0.001\times\alpha_{\theta}$. ### 5.2 GVF for Gradient Descent Functions Question functions: 1. 1. $\pi=$ Gibbs distribution, 2. 2. $\gamma(.)=0.9$, 3. 3. $r(.)=$ (a) the change of $x$ value of the absolute ball position; (b) a small negative reward of $0.01$ for each cycle; (c) a negative reward of $5$ is given to all agents within a radius of 1.5 meters; 4. 4. $z(.)=$ (a) $+100$for scoring against opponent; (b) $-100$for opponent scoring; and 5. 5. $\mbox{time step}=2$ seconds. Answer functions: 1. 1. $\pi_{b}=$ the learned Gibbs distribution is used with a small perturbation. In order to provide exploration, with probability $0.01$, Gibbs distribution is perturbed using some $\beta$ value. In our experiments, we use $\beta=0.5$. Therefore, we use a behavior policy: $\frac{e^{u^{\mathrm{T}}\phi(s,a)+\beta}}{\sum_{b}e^{u^{\mathrm{T}}\phi(s,b)+\beta}}$ 2. 2. $\phi(.)=$ (a) the representations for the state-value function, we use tile coding to formulate the feature vector. $n_{start}=2$ and $n_{end}=3,5,7$. $m_{max}=3,5,7$. Therefore, there are $18,28,30$ state variables. (b) state variable is independently tiled with 16 tilings with approximately each with $\frac{1}{16}$ generalization. Therefore, there are $288+1,448+1,608+1$ active tiles (i.e., tiles with feature 1) hashed to a binary vector dimension $10^{6}+1$. The bias feature is always set to active; 3. 3. $\phi(.,.)=$ (a) the representations for the Gibbs distribution, we use tile coding to formulate the feature vector. $n_{start}=2$ and $n_{end}=3,5,7$. $m_{max}=3,5,7$. Therefore, there are $18,28,30$ state variables. (b) state variable is independently tiled with 16 tilings with approximately each with $\frac{1}{16}$ generalization. Therefore, there are $288+1,448+1,608+1$ active tiles (i.e., tiles with feature 1) hashed to a binary vector dimension $10^{6}+1$. The hashing has also considered the given action. The bias feature is always set to active; and 4. 4. $\lambda_{\mbox{critic}}(.)=\lambda_{\mbox{actor}}(.)=0.3$. Parameters: • 6mm 1. $\parallel{\bf{u}}\parallel=10^{6}+1$; 2. $\parallel{\bf{\theta}}\parallel=\parallel{\bf w}\parallel=10^{6}+1$; 6mm 3. $\parallel{\bf e^{v}}\parallel=\parallel{\bf e^{u}}\parallel=2000$(efficient trace implementation); 6mm 4. $\alpha_{v}=\frac{0.01}{289},\frac{0.01}{449},\frac{0.01}{609}$; 5. $\alpha_{w}=0.0001\times\alpha_{v}$; and 6. $\alpha_{v}=\frac{0.001}{289},\frac{0.001}{449},\frac{0.001}{609}$. ## 6 Experiments We conducted experiments against the teams Boldhearts and MagmaOffenburg, both semi-finalists of the RoboCup 3D Soccer Simulation competition in Mexico 2012444The published binary of the team UTAustinVilla showed unexpected behaviors in our tests and is therefore omitted.. We conducted knowledge learning according to the configuration given in Section (5). Subsection (6.1) describes the performance of the Algorithm (1), and Subsection (6.2) describes the performance of the Algorithm (2) for the experiment setup. ### 6.1 GVFs with Greedy-GQ($\lambda$) The first experiments were done using a team size of five with the RL agents against Boldhearts. After 140 games our RL agent increased the chance to win from 30% to 50%. This number does not increase more in the next games, but after 260 games the number of lost games (initially 35%) is reduced to 15%. In the further experiments we used the goal difference to compare the performance of the RL agent. Figure (3) shows the average goal differences that the hand- tuned role assignment and the RL agents archive in games against Boldhearts and MagmaOffenburg using different team sizes. With only three agents per team the RL agent only needs 40 games to learn a policy that outperforms the hand- coded role selection (Figure (3(a))). Also with five agents per team, the learning agent is able to increase the goal difference against both opponents (Figure (3(b))). However, it does not reach the performance of the manually tuned role selection. Nevertheless considering the amount of time spent for fine-tuning the hand-coded role selection, these results are promising. Furthermore, the outcome of the games depends a lot on the underlying skills of the agents, such as walking or dribbling. These skills are noisy, thus the results need to be averaged over many games (std. deviations in Figure (3) are between 0.5 and 1.3). ((a)) Three vs three agents. ((b)) Five vs five agents. ((c)) Seven vs seven agents. Figure 3: Goal difference in games with (a) three; (b) five; and (c) seven agents per team using Greedy-GQ($\lambda$) algorithm. The results in Figure (3(c)) show a bigger gap between RL and the hand-coded agent. However, using seven agents the goal difference is generally decreased, since the defense is easily improved by increasing the number of agents. Also the hand-coded role selection results in a smaller goal difference. Furthermore, considering seven agents in each team the state space is already increased significantly. Only 200 games seem to be not sufficient to learn a good policy. Sometimes the RL agents reach a positive goal difference, but it stays below the hand-coded role selection. In Section 7, we discuss some of the reasons for this inferior performances for the team size seven. Even though the RL agent did not perform well considering only the goal difference, it has learned a moderately satisfactory policy. After 180 games the amount of games won is increased slightly from initially 10% to approximately 20%. ### 6.2 GVFs with Off-PAC With Off-PAC, we used a similar environment to that of Subsection (6.1), but with a different learning setup. Instead of learning individual policies for teams separately, we learned a single policy for both teams. We ran the opponent teams in a round robin fashion for 200 games and repeated complete runs for multiple times. The first experiments were done using a team size of three with RL agents against both teams. Figure (4(a)) shows the results of bins of 20 games averaged between two trials. After 20 games, the RL agents have learned a stable policy compared to the hand-tuned policy, but the learned policy bounded above the hand-tuned role assignment function. The second experiments were done using a team size of five with the RL agents against opponent teams. Figure (4(b)) shows the results of bins of 20 games averaged among three trials. After 100 games, our RL agent increased the chance of winning to 50%. This number does not increase more in the next games. As Figures (4(a)) and (4(b)) show, the three and five agents per team are able to increase the goal difference against both opponents. However, it does not reach the performance of the manually tuned role selection. Similar to Subsection (6.1), the amount of time spent for fine-tuning the hand-coded role selection, these results are promising, and the outcome of the experiment heavily depends on the underlying skills of the agents. ((a)) Three vs three agents. ((b)) Five vs five agents. ((c)) Seven vs seven agents. Figure 4: Goal difference in games with (a) three; (b) five; and (c) seven agents per team using Off-PAC algorithm. The final experiments were done using a team size of seven with the RL agents against opponent teams. Figure (4(c)) shows the results of bins of 20 games averaged among two trials. Similar to Subsection (6.1), with seven agents per team, the results in Figure (4(c)) show a bigger gap between RL and the hand- tuned agent. However, using seven agents the goal difference is generally decreased, since the defense is easily improved by increasing the number of agents. Also the hand-tuned role selection results in a smaller goal difference. Figure 4(c) shows an increase in the trend of winning games. As mentioned earlier, only 200 games seem to be not sufficient to learn a good policy. Even though the RL agents reach a positive goal difference, but it stays below the hand-tuned role selection method. Within the given setting, the RL agents have learned a moderately satisfactory policy. Whether the learned policy is satisfactory for other teams needs to be further investigated. The RoboCup 3D soccer simulation is inherently a dynamic, and a stochastic environment. There is an infinitesimal chance that a given situation (state) may occur for many games. Therefore, it is paramount important that the learning algorithms extract as much information as possible from the training examples. We use the algorithms in the on-line incremental setting, and once the experience is consumed it is discarded. Since, we learned from off-policy experiences, we can save the tuples, $(S_{t},A_{t},S_{t+1},r(S_{t+1}),\rho_{t},z(S_{t+1}))$, and learn the policy off-line. The Greedy-GQ($\lambda$) learns a deterministic greedy policy. This may not be suitable for complex and dynamic environments such as the RoboCup 3D soccer simulation environment. The Off-PAC algorithm is designed for stochastic environment. The experiment shows that this algorithm needs careful tuning of learning rates and feature selection, as evident from Figure (4(a)) after 160 games. ## 7 Conclusions We have designed and experimented RL agents that learn to assign roles in order to maximize expected future rewards. All the agents in the team ask the question “What is my role in this formation in order to maximize future rewards, while maintaining a completely different role from all teammates in all time steps?”. This is a goal-oriented question. We use Greedy- GQ($\lambda$) and Off-PAC to learn experientially grounded knowledge encoded in GVFs. Dynamic role assignment function is abstracted from all other low- level components such as walking engine, obstacle avoidance, object tracking etc. If the role assignment function selects a passive role and assigns a target location, the lower-layers handle this request. If the lower-layers fail to comply to this request, for example being reactive, this feedback is not provided to the role assignment function. If this information needs to be included; it should become a part of the state representation, and the reward signal should be modified accordingly. The target positions for passive roles are created w.r.t. the absolute ball location and the rules imposed by the 3D soccer simulation league. When the ball moves relatively quickly, the target locations change more quickly. We have given positive rewards only for the forward ball movements. In order to reinforce more agents within an area close to the ball, we need to provide appropriate rewards. These are part of reward shaping [12]. Reward shaping should be handled carefully as the agents may learn sub-optimal policies not contributing to the overall goal. The experimental evidences show that agents are learning competitive role assignment functions for defending and attacking. We have to emphasize that the behavior policy is $\epsilon$-greedy with a relatively small exploration or slightly perturbed around the target policy. It is not a uniformly distributed policy as used in [22]. The main reason for this decision is that when an adversary is present with the intention of maximizing its objectives, practically the learning agent may have to run for a long period to observe positive samples. Therefore, we have used the off-policy Greedy-GQ($\lambda$) and Off-PAC algorithms for learning goal-oriented GVFs within on-policy control setting. Our hypothesis is that with the improvements of the functionalities of lower-layers, the role assignment function would find better policies for the given question and answer functions. Our next step is to let the RL agent learn policies against other RoboCup 3D soccer simulation league teams. Beside the role assignment, we also contributed with testing off-policy learning in high-dimensional state spaces in a competitive adversarial environment. We have conducted experiments with three, five, and seven agents per team. The full game consists of eleven agents. The next step is to extend learning to consider all agents, and to include methods that select informative state variables and features. ## References * [1] Degris, T., Modayily, J.: Scaling-up Knowledge for a Cognizant Robot. 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MIT Press (1998) * [22] Sutton, R.S., Modayil, J., Delp, M., Degris, T., Pilarski, P.M., White, A., Precup, D.: Horde: A Scalable Real-Time Architecture for Learning Knowledge from Unsupervised Sensorimotor Interaction. In: The 10th International Conference on Autonomous Agents and Multiagent Systems. pp. 761–768. AAMAS ’11, International Foundation for Autonomous Agents and Multiagent Systems (2011) * [23] Sutton, R.S., Szepesvári, C., Maei, H.R.: A Convergent O(N) Algorithm for Off-Policy Temporal-Difference Learning with Linear Function Approximation. In: Advances in Neural Information Processing Systems (NIPS). pp. 1609–1616. MIT Press (2008) * [24] Thomas Degris, Martha White, R.S.S.: Off-Policy Actor-Critic. In: Proceedings of the Twenty-Ninth International Conference on Machine Learning (ICML) (2012) * [25] White, A., Modayil, J., Sutton, R.: Scaling Life-Long Off-Policy Learning. 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arxiv-papers
2014-02-18T23:01:13
2024-09-04T02:49:58.408997
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Saminda Abeyruwan and Andreas Seekircher and Ubbo Visser", "submitter": "Saminda Abeyruwan", "url": "https://arxiv.org/abs/1402.4525" }
1402.4568
# Linear Receding Horizon Control with Probabilistic System Parameters Raktim Bhattacharya James Fisher Aerospace Engineering, Texas A&M University, USA. Raytheon Missile Systems. ###### Abstract In this paper we address the problem of designing receding horizon control algorithms for linear discrete-time systems with parametric uncertainty. We do not consider presence of stochastic forcing or process noise in the system. It is assumed that the parametric uncertainty is probabilistic in nature with known probability density functions. We use generalized polynomial chaos theory to design the proposed stochastic receding horizon control algorithms. In this framework, the stochastic problem is converted to a deterministic problem in higher dimensional space. The performance of the proposed receding horizon control algorithms is assessed using a linear model with two states. ## 1 Introduction Receding horizon control (RHC), also known as model predictive control (MPC), has been popular in the process control industry for several years Qin and Badgwell (1996); Bemporad and Morari (1999), and recently gaining popularity in aerospace applications, see Bhattacharya et al. (2002). It is based on the idea of repetitive solution of an optimal control problem and updating states with the first input of the optimal command sequence. The repetitive nature of the algorithm results in a state dependent feedback control law. The attractive aspect of this method is the ability to incorporate state and control limits as constraints in the optimization formulation. When the model is linear, the optimization problem is quadratic if the performance index is expressed via a $\mathcal{L}_{2}$-norm, or linear if expressed via a $\mathcal{L}_{1}/\mathcal{L}_{\infty}$-norm. Issues regarding feasibility of online computation, stability and performance are largely understood for linear systems and can be found in refs. Kwon (1994); Bitmead et al. (1990). For nonlinear systems, stability of RHC methods is guaranteed by Primbs (1999); Jadbabaie et al. (1999), by using an appropriate control Lyapunov function . For a survey of the state-of-the-art in nonlinear receding horizon control problems the reader is directed to Mayne et al. (2000a). Traditional RHC laws perform best when modeling error is small. Fisher et al. (2007) has shown that system uncertainty can lead to significant oscillatory behavior and possibly instabilty. Furthermore, Grimm et al. (2004) showed that in the presence of modeling uncertainty RHC strategy may not be robust with RHC designs. Many approaches have been taken to improve robustness of RHC strategy in the presence of unknown disturbances and bounded uncertainty, see work of Raković et al. (2006); Lee and Yu (1997); Kouvaritakis et al. (2000); Mayne et al. (2000b). These approaches involve the computation of a feedback gain to ensure robustness. The difficulty with this approach is that, even for linear systems, the problem becomes difficult to solve, as the unknown feedback gain transforms the quadratic programming problem into a nonlinear programming problem. In this paper we address the problem of RHC design for linear systems with probabilistic uncertainty in system parameters. Parametric uncertainty arises in systems when the physics governing the system is known and the system parameters are either not known precisely or are expected to vary in the operational lifetime. Such uncertainty also occurs when system models are build from experimental data using system identification techniques. As a result of experimental measurements, the values of the parameters in the system model have a range of variations with quantifiable likelihood of occurrence. In either case, the range of variation of these parameters and the likelihood of their occurrence are assumed to be known and it is desired to design controllers that achieve specified performance for these variations. While the area of robust RHC is not new, approaching the problem from a stochastic standpoint is only recently receiving attention, for example van Hessem and Bosgra (2002); Batina et al. (2002). These approaches however suffered from either computational complexity, high degree of conservativeness or do not address closed-loop stability. The key difficulty in stochastic RHC is the propagation of uncertainty over the prediction horizon. More recently, Cannon et al. (2009) avoid this difficulty by using an autonomous augmented formulation of the prediction dynamics. Constraint satisfaction and stability is achieved in Cannon et al. (2009) by extending ellipsoid invariance theory to invariance with a given probability. The cost function minimized was the expected value of a quadratic function of random state and control trajectories. Additionally, the uncertainty in the system parameters were assumed to have normal distribution. This paper presents formulation of robust RHC design problems in polynomial chaos framework, where parametric uncertainty can be governed by any probability density function. In this approach the solution, not the dynamics, of the random process is approximated using a series expansion. It is assumed that the random process to be controlled has finite second moment, which is the assumption of the polynomial chaos framework. The polynomial chaos based approach predicts the propagation of uncertainty more accurately, is computationally cheaper than methods based on Monte-Carlo or series approximation of the dynamics, and is less conservative than the invariance based methods. The paper is organized as follows. We first present a brief introduction to polynomial chaos and its application in transforming linear stochastic dynamics to linear deterministic dynamics in higher dimensional state-space. Next stability of stochastic linear dynamics in the polynomial chaos framework is presented. This is followed by formulation of RHC design for discrete-time stochastic linear systems. Stability of the proposed RHC algorithm is then analyzed. The paper concludes with numerical examples that assesses the performance of the proposed method. ## 2 Background on Polynomial Chaos Recently, use of polynomial chaos to study stochastic differential equations is gaining popularity. It is a non-sampling based method to determine evolution of uncertainty in dynamical system, when there is probabilistic uncertainty in the system parameters. Polynomial chaos was first introduced by Wiener (1938) where Hermite polynomials were used to model stochastic processes with Gaussian random variables. It can be thought of as an extension of Volterra’s theory of nonlinear functionals Schetzen (2006) for stochastic systems Ghanem and Spanos (1991). According to Cameron and Martin (1947) such an expansion converges in the $\mathcal{L}_{2}$ sense for any arbitrary stochastic process with finite second moment. This applies to most physical systems. Xiu and Karniadakis (2002) generalized the result of Cameron-Martin to various continuous and discrete distributions using orthogonal polynomials from the so called Askey-scheme Askey and Wilson (1985) and demonstrated $\mathcal{L}_{2}$ convergence in the corresponding Hilbert functional space. This is popularly known as the generalized polynomial chaos (gPC) framework. The gPC framework has been applied to applications including stochastic fluid dynamics Hou et al. (2006),stochastic finite elements Ghanem and Spanos (1991), and solid mechanics Ghanem and Red-Horse (1999). It has been shown in Xiu and Karniadakis (2002) that gPC based methods are computationally far superior than Monte-Carlo based methods. However, application of gPC to control related problems has been surprisingly limited and is only recently gaining popularity. See Prabhakar et al. (2008); Fisher and Bhattacharya (2008a, b) for control related application of gPC theory. ### 2.1 Wiener-Askey Polynomial Chaos Let $(\Omega,\mathcal{F},P)$ be a probability space, where $\Omega$ is the sample space, $\mathcal{F}$ is the $\sigma$-algebra of the subsets of $\Omega$, and $P$ is the probability measure. Let $\Delta(\omega)=(\Delta_{1}(\omega),\cdots,\Delta_{d}(\omega)):(\Omega,\mathcal{F})\rightarrow(\mathbb{R}^{d},\mathcal{B}^{d})$ be an $\mathbb{R}^{d}$-valued continuous random variable, where $d\in\mathbb{N}$, and $\mathcal{B}^{d}$ is the $\sigma$-algebra of Borel subsets of $\mathbb{R}^{d}$. A general second order process $X(\omega)\in\mathcal{L}_{2}(\Omega,\mathcal{F},P)$ can be expressed by polynomial chaos as $X(\omega)=\sum_{i=0}^{\infty}x_{i}\phi_{i}({\Delta}(\omega)),$ (1) where $\omega$ is the random event and $\phi_{i}({\Delta}(\omega))$ denotes the gPC basis of degree $p$ in terms of the random variables $\Delta(\omega)$. The functions $\\{\phi_{i}\\}$ are a family of orthogonal basis in $\mathcal{L}_{2}(\Omega,\mathcal{F},P)$ satisfying the relation $\langle\phi_{i}\phi_{j}\rangle:=\int_{\mathcal{D}_{\Delta(\omega)}}{\phi_{i}\phi_{j}w(\Delta(\omega))\,d\Delta(\omega)}=h_{i}^{2}\delta_{ij}$ (2) where $\delta_{ij}$ is the Kronecker delta, $h_{i}$ is a constant term corresponding to $\int_{\mathcal{D}_{\Delta}}{\phi_{i}^{2}w(\Delta)\,d\Delta}$, $\mathcal{D}_{\Delta}$ is the domain of the random variable $\Delta(\omega)$, and $w(\Delta)$ is a weighting function. Henceforth, we will use $\Delta$ to represent $\Delta(\omega)$. For random variables $\Delta$ with certain distributions, the family of orthogonal basis functions $\\{\phi_{i}\\}$ can be chosen in such a way that its weight function has the same form as the probability density function $f(\Delta)$. When these types of polynomials are chosen, we have $f(\Delta)=w(\Delta)$ and $\int_{\mathcal{D}_{\Delta}}{\phi_{i}\phi_{j}f(\Delta)\,d\Delta}=\mathbf{E}\left[\phi_{i}\phi_{j}\right]=\mathbf{E}\left[\phi_{i}^{2}\right]\delta_{ij},$ (3) where $\mathbf{E}\left[\cdot\right]$ denotes the expectation with respect to the probability measure $dP(\Delta(\omega))=f(\Delta(\omega))d\Delta(\omega)$ and probability density function $f(\Delta(\omega))$. The orthogonal polynomials that are chosen are the members of the Askey-scheme of polynomials (Askey and Wilson (1985)), which forms a complete basis in the Hilbert space determined by their corresponding support. Table 1 summarizes the correspondence between the choice of polynomials for a given distribution of $\Delta$. See Xiu and Karniadakis (2002) for more details. Random Variable $\Delta$ | $\phi_{i}(\Delta)$ of the Wiener-Askey Scheme ---|--- Gaussian | Hermite Uniform | Legendre Gamma | Laguerre Beta | Jacobi Table 1: Correspondence between choice of polynomials and given distribution of $\Delta(\omega)$ Xiu and Karniadakis (2002). ### 2.2 Approximation of Stochastic Linear Dynamics Using Polynomial Chaos Expansions Here we derive a generalized representation of the deterministic dynamics obtained from the stochastic system by approximating the solution with polynomial chaos expansions. Define a linear discete-time stochastic system in the following manner $x(k+1,\Delta)=A(\Delta)x(k,\Delta)+B(\Delta)u(k,\Delta),$ (4) where $x\in\mathbb{R}^{n},u\in\mathbb{R}^{m}$. The system has probabilistic uncertainty in the system parameters, characterized by $A(\Delta),B(\Delta)$, which are matrix functions of random variable $\Delta\equiv\Delta(\omega)\in\mathbb{R}^{d}$ with certain stationary distributions. Due to the stochastic nature of $(A,B)$, the system trajectory $x(k,\Delta)$ will also be stochastic. By applying the Wiener-Askey gPC expansion of finite order to $x(k,\Delta),A(\Delta)$ and $B(\Delta)$, we get the following approximations, $\displaystyle\hat{x}(k,\Delta)$ $\displaystyle=$ $\displaystyle\sum_{i=0}^{p}x_{i}(k)\phi_{i}(\Delta),\,x_{i}(k)\in\mathbb{R}^{n}$ (5) $\displaystyle\hat{u}(k,\Delta)$ $\displaystyle=$ $\displaystyle\sum_{i=0}^{p}u_{i}(k)\phi_{i}(\Delta),\,u_{i}(k)\in\mathbb{R}^{m}$ (6) $\displaystyle\hat{A}(\Delta)$ $\displaystyle=$ $\displaystyle\sum_{i=0}^{p}A_{i}\phi_{i}(\Delta),\,A_{i}=\frac{\langle A(\Delta),\phi_{i}(\Delta)\rangle}{\langle\phi_{i}(\Delta)^{2}\rangle}\in\mathbb{R}^{n\times n}$ (7) $\displaystyle\hat{B}(\Delta)$ $\displaystyle=$ $\displaystyle\sum_{i=0}^{p}B_{i}\phi_{i}(\Delta),\,B_{i}=\frac{\langle B(\Delta),\phi_{i}(\Delta)\rangle}{\langle\phi_{i}(\Delta)^{2}\rangle}\in\mathbb{R}^{n\times m}.$ (8) The inner product or ensemble average $\langle\cdot,\cdot\rangle$, used in the above equations and in the rest of the paper, utilizes the weighting function associated with the assumed probability distribution, as listed in table 1. The number of terms $p$ is determined by the dimension $d$ of $\Delta$ and the order $r$ of the orthogonal polynomials $\\{\phi_{k}\\}$, satisfying $p+1=\frac{(d+r)!}{d!r!}$. The $n(p+1)$ time varying coefficients, $\\{x_{i}(k)\\};k=0,\cdots,p$, are obtained by substituting the approximated solution in the governing equation (eqn.(4)) and conducting Galerkin projection on the basis functions $\\{\phi_{k}\\}_{k=0}^{p}$, to yield $n(p+1)$ deterministic linear system of equations, which given by $\mathbf{X}(k+1)=\mathbf{A}\mathbf{X}(k)+\mathbf{B}\mathbf{U}(k),$ (9) where $\displaystyle\mathbf{X}(k)$ $\displaystyle=$ $\displaystyle[x_{0}(k)^{T}\;x_{1}(k)^{T}\;\cdots x_{p}(k)^{T}]^{T},$ (10) $\displaystyle\mathbf{U}(k)$ $\displaystyle=$ $\displaystyle[u_{0}(k)^{T}\;u_{1}(k)^{T}\;\cdots u_{p}(k)^{T}]^{T}.$ (11) Matrices $\mathbf{A}\in\mathbb{R}^{n(p+1)\times n(p+1)}$ and $\mathbf{B}\in\mathbb{R}^{n(p+1)\times m}$ are defined as $\displaystyle\mathbf{A}$ $\displaystyle=$ $\displaystyle(W\otimes I_{n})^{-1}\left[\begin{array}[]{c}H_{A}(E_{0}\otimes I_{n})\\\ \vdots\\\ H_{A}(E_{p}\otimes I_{n})\end{array}\right],$ (16) $\displaystyle\mathbf{B}$ $\displaystyle=$ $\displaystyle(W\otimes I_{n})^{-1}\left[\begin{array}[]{c}H_{B}(E_{0}\otimes I_{m})\\\ \vdots\\\ H_{B}(E_{p}\otimes I_{m})\end{array}\right],$ (20) where $H_{A}=\left[A_{0}\,\cdots\,A_{p}\right]$, $H_{B}=\left[B_{0}\,\cdots\,B_{p}\right]$, $W=diag(\langle\phi_{0}^{2}\rangle,\cdots,\langle\phi_{p}^{2}\rangle)$, and $E_{i}=\left[\begin{array}[]{ccc}\langle\phi_{i},\phi_{0},\phi_{0}\rangle&\cdots&\langle\phi_{i},\phi_{0},\phi_{p}\rangle\\\ \vdots&&\vdots\\\ \langle\phi_{i},\phi_{p},\phi_{0}\rangle&\cdots&\langle\phi_{i},\phi_{p},\phi_{p}\rangle\end{array}\right],$ with $I_{n}$ and $I_{m}$ as the identity matrix of dimension $n\times n$ and $m\times m$ respectively. It can be easily shown that $\mathbf{E}\left[x(k)\right]=x_{0}(k)$, or $\mathbf{E}\left[x(k)\right]=\left[I_{n}\;0_{n\times np}\right]\mathbf{X}(k).$ Therefore, transformation of a stochastic linear system with $x\in\mathbb{R}^{n},u\in\mathbb{R}^{m}$, with $p^{th}$ order gPC expansion, results in a deterministic linear system with increased dimensionality equal to $n(p+1)$. ## 3 Stochastic Receding Horizon Control Here we develop a RHC methodology for stochastic linear systems similar to that developed for deterministic systems, presented by Goodwin et al. (2005). Let $x(k,\Delta)$ be the solution of the system in eqn.(4) with control $u(k,\Delta)$. Consider the following optimal control problem defined by, $\displaystyle V_{N}^{*}=\min\,V_{N}(\\{x(k+1,\Delta)\\},\\{u(k,\Delta)\\})$ (21) $\displaystyle{\rm subject\,to:}$ $\displaystyle x(k+1,\Delta)=A(\Delta)x(k,\Delta)+B(\Delta)u(k,\Delta),$ (22) $\displaystyle\textrm{Initial Condition: }x(0,\Delta);$ (23) $\displaystyle\mu(u(k,\Delta))\in\mathbb{U}\subset\mathbb{R}^{m},$ (24) $\displaystyle\mu(x(k,\Delta))\in\mathbb{X}\subset\mathbb{R}^{n},$ (25) $\displaystyle\mu(x(N,\Delta))\in\mathbb{X}_{f}\subset\mathbb{X},$ (26) for $k=0,\cdots,N-1$; where $N$ is the horizon length, $\mathbb{U}$ and $\mathbb{X}$ are feasible sets for $u(k,\Delta)$ and $x(k,\Delta)$ with respect to control and state constraints. $\mu(\cdot)$ represents moments based constraints on state and control.The set $\mathbb{X}_{f}$ is a terminal constraint set. The cost function $V_{N}$ is given by $\begin{split}&V_{N}=\sum_{k=1}^{N}\mathbf{E}\left[x^{T}(k,\Delta)Qx(k,\Delta)+\right.\\\ &\left.u^{T}(k-1,\Delta)Ru(k-1,\Delta)\right]+C_{f}(x(N),\Delta),\end{split}$ (27) where $C_{f}(x(N),\Delta)$ is a terminal cost function, and $Q=Q^{T}>0$, $R=R^{T}>0$ are matrices with appropriate dimensions. ### 3.1 Control Structure Here we consider the control structure, $u(k,\Delta)=\bar{u}(k)+K(k)\left(x(k,\Delta)-\mathbf{E}\left[x(k,\Delta)\right]\right),$ (28) where $\bar{u}(k)$, and $K(k)$ are unknown deterministic quantities. This is similar to that proposed by Primbs et al.Primbs and Sung (2009) and enables us to regulate the mean trajectory using open loop control and deviations about the mean using a state-feedback control. In terms of gPC coefficients, the system dynamics in eqn.(4) with the first control structure is given by eqn.(9). The system dynamics in term of the gPC expansions, with the second control structure is given by $\mathbf{X}(k+1)=(\mathbf{A}+\mathbf{B}(\mathbf{M}\otimes K(k)))\mathbf{X}(k)+\mathbf{B}\bar{U}(k),$ (29) where $\bar{U}(k)=[1\,\,0_{1\times p}]^{T}\otimes\bar{u}(k)$ and $\mathbf{M}=\left[\begin{array}[]{cc}0&0_{1\times p}\\\ 0_{p\times 1}&I_{p\times p}\end{array}\right]$. ### 3.2 Cost Functions Here we derive the cost function in eqn.(27) is derived in terms of the gPC coefficients $\mathbf{X}$ and $\mathbf{U}$. For scalar $x$, the quantity $\mathbf{E}\left[x^{2}\right]$ in terms of its gPC expansions is given by $\mathbf{E}\left[x^{2}\right]=\sum_{i=0}^{p}\sum_{j=0}^{p}x_{i}x_{j}\int_{\mathcal{D}_{\Delta}}\phi_{i}\phi_{j}fd\Delta=\mathbf{x}^{T}W\mathbf{x},$ (30) where $\mathcal{D}_{\Delta}$ is the domain of $\Delta$ , $x_{i}$ are the gPC expansions of $x$, $f\equiv f(\Delta)$ is the probability distribution of $\Delta$. Here we use the notation $\mathbf{x}$ to represent the gPC state vector for scalar $x$. The expression $\mathbf{E}\left[x^{2}\right]$ can be generalized for $x\in\mathbb{R}^{n}$ where $\mathbf{E}\left[x^{T}Qx\right]$ is given by $\mathbf{E}\left[x^{T}Qx\right]=\mathbf{X}^{T}(W\otimes Q)\mathbf{X}.$ (31) The expression for the cost function in eqn.(27), in terms of gPC states and control is $\begin{split}&V_{N}=\sum_{k=0}^{N-1}[\mathbf{X}^{T}(k)\bar{Q}\mathbf{X}(k)+\\\ &(\bar{U}^{T}(k)+\mathbf{X}^{T}(k)(\mathbf{M}\otimes K^{T}(k)))\bar{R}(\bar{U}(k)+\\\ &(\mathbf{M}\otimes K(k)))\mathbf{X}(k))]+C_{f}(x(N),\Delta),\end{split}$ (32) where $\bar{Q}=W\otimes Q$ and $\bar{R}=W\otimes R$. In deterministic RHC, the terminal cost is the cost-to-go from the terminal state to the origin by the local controller Goodwin et al. (2005). In the stochastic setting, a local controller can be synthesized using methods presented in our previous work Fisher and Bhattacharya (2008a). The cost-to-go from a given stochastic state variable $x(N,\Delta)$ can then be written as $C_{f}(x(N),\Delta)=\mathbf{X}^{T}(N)P\mathbf{X}(N),$ (33) where $\mathbf{X}(N)$ are gPC states corresponding to $x(N,\Delta)$ and $P=P^{T}>0$ is a $n(p+1)\times n(p+1)$-dimensional matrix, obtained from the synthesis of the terminal control law Fisher and Bhattacharya (2008a). In the current stochastic RHC literature, the terminal cost function has been defined on the expected value of the final state Lee and Cooley (1998); de la Penad et al. (2005); Primbs and Sung (2009); Bertsekas (2005) or using a combination of mean and variance Darlington et al. (2000); Nagy and Braatz (2003). The terminal cost function in eqn.(33) is more general than the terminal cost functions used in the literature because it penalizes all the moments of the random variable $x(N,\Delta)$, as they are functions of $\mathbf{X}(N)$. This can be shown as follows. To avoid tensor notation and without loss of generality, we consider $x(k,\Delta)\in\mathbb{R}$ and let $\mathbf{X}(k)=[x_{0}(k),x_{1}(k),\cdots,x_{p}(k)]^{T}$ be the gPC expansion of $x(k,\Delta)$. The $p^{th}$ moment in terms of $x_{i}(k)$ are then given by $\begin{split}&m_{p}(k)=\sum_{i_{1}=0}^{P}\cdots\sum_{{i_{p}}=0}^{P}x_{i_{1}}(k)\cdots x_{i_{p}}(k)\int_{\mathcal{D}_{\Delta}}\phi_{i_{1}}(\Delta)\cdots\\\ &\phi_{i_{p}}(\Delta)f(\Delta)d\Delta.\end{split}$ (34) Thus, minimizing $C_{f}(x(N),\Delta)$ in eqn.(33) minimizes all moments of $x(N,\Delta)$. Consequently, constraining the probability density function of $x(N,\Delta)$. ### 3.3 State and Control Constraints In this section we present the state and control constraints for the receding horizon policy. #### 3.3.1 Expectation Based Constraints Here we first consider constraints of the following form, $\displaystyle\mathbf{E}\left[x(k,\Delta)^{T}H_{x}x(k,\Delta)+G_{x}x(k,\Delta)\right]$ $\displaystyle\leq$ $\displaystyle\alpha_{i,x},$ (35) $\displaystyle\mathbf{E}\left[u(k,\Delta)^{T}H_{u}u(k,\Delta)+G_{u}u(k,\Delta)\right]$ $\displaystyle\leq$ $\displaystyle\alpha_{i,u},$ (36) for $k=0\ldots N$. These constraints are on the expected value of the quadratic functions. Thus, instead of requiring that the constraint be met for all trajectories, they instead imply that the constraints should be satisfied on average. These constraints can be expressed in terms of the gPC states as $\displaystyle\mathbf{X}(k)^{T}\bar{H}_{x}\mathbf{X}(k)+\bar{G}_{x}\mathbf{X}(k)$ $\displaystyle\leq$ $\displaystyle\alpha_{i,x},$ (37) $\displaystyle\mathbf{U}(k)^{T}\bar{H}_{u}\mathbf{U}(k)+\bar{G}_{u}\mathbf{U}(k)$ $\displaystyle\leq$ $\displaystyle\alpha_{i,u},$ (38) where $\bar{H}_{x}=W\otimes H_{x}$, $\bar{H}_{u}=W\otimes H_{u}$, $\bar{G}_{x}=G_{x}\left[I_{n}\;0_{n\times np}\right]$, and $\bar{G}_{u}=G_{u}\left[I_{n}\;0_{n\times np}\right]$. #### 3.3.2 Variance Based Constraints In many practical applications, it may be desirable to constrain the second moment of the state trajectories, either at each time step or at final time. One means of achieving this is to use a constraint of the form $\mathbf{Tr}\left[\mathbf{E}\left[(x(k)-\mathbf{E}\left[x(k)\right])(x(k)-\mathbf{E}\left[x(k)\right])^{T}\right]\right]\leq\alpha_{\sigma^{2}}.$ (39) For scalar $x$, the variance $\sigma^{2}(x)$ in terms of the gPC expansions can be shown to be $\sigma^{2}=\mathbf{E}\left[x-\mathbf{E}\left[x\right]\right]^{2}=\mathbf{E}\left[x^{2}\right]-\mathbf{E}\left[x\right]^{2}=\mathbf{x}^{T}W\mathbf{x}-\mathbf{E}\left[x\right]^{2},$ where $\begin{split}&\mathbf{E}\left[x\right]=\mathbf{E}\left[\sum_{i=0}^{p}x_{i}\phi_{i}\right]=\sum_{i=0}^{p}x_{i}\mathbf{E}\left[\phi_{i}\right]=\sum_{i=0}^{p}x_{i}\int_{\mathcal{D}_{\Delta}}\phi_{i}fd\Delta\\\ &=\mathbf{x}^{T}F,\end{split}$ and $F=\left[\begin{array}[]{cccc}1\;0\;\cdots\;0\end{array}\right]^{T}$. Therefore, $\sigma^{2}$ for scalar $x$ can be written in a compact form as $\sigma^{2}=\mathbf{x}^{T}(W-FF^{T})\mathbf{x}.$ (40) In order to represent the covariance for $x\in\mathbb{R}^{n}$, in terms of the gPC states, let us define $\Phi=[\phi_{0}\cdots\phi_{p+1}]^{T}$ and write $G=\int_{\mathcal{D}_{\Delta}}\Phi\Phi^{T}fd\Delta$. Let us represent a sub- vector of $\mathbf{X}$, defined by elements $n_{1}$ to $n_{2}$, as $X_{n_{1}\cdots n{2}}$, where $n_{1}$ and $n_{2}$ are positive integers. Let us next define matrix $M_{\mathbf{X}}$, with subvectors of $\mathbf{X}$, as $M_{\mathbf{X}}=[\mathbf{X}_{1\cdots n}\;\mathbf{X}_{n+1\cdots 2n}\;\cdots\mathbf{X}_{np+1\cdots n(p+1)}]$. For $x\in\mathbb{R}^{n}$, it can be shown that $\mathbf{E}\left[x\right]=(F\otimes I_{n})\mathbf{X},$ (41) and the covariance can then be shown to be $\textbf{Cov}(x)=M_{\mathbf{X}}GM_{\mathbf{X}}^{T}-(F\otimes I_{n})\mathbf{X}\mathbf{X}^{T}(F^{T}\otimes I_{n}).$ (42) The trace of the covariance matrix $\textbf{Cov}(x)$ can then be written as $\mathbf{Tr}\left[\textbf{Cov}(x)\right]=\mathbf{X}^{T}((W-FF^{T})\otimes I_{n})\mathbf{X}.$ Therefore, a constraint of the type $\mathbf{Tr}\left[\textbf{Cov}(x(k))\right]\leq\alpha_{\sigma^{2}}$ can be written in term of gPC states as $\mathbf{X}^{T}Q_{\sigma^{2}}\mathbf{X}\leq\alpha_{\sigma^{2}},$ (43) where $Q_{\sigma^{2}}=(W-FF^{T})\otimes I_{n}$. ## 4 Stability of the RHC Policy Here we show the stability properties of the receding horizon policy when it is applied to the system in eqn.(9). Using gPC theory we can convert the underlying stochastic RHC formulation in $x(t,\Delta)$ and $u(t,\Delta)$ to a deterministic RHC formulation in $\mathbf{X}(k)$ and $\mathbf{U}(k)$. The stability of $\mathbf{X}(k)$ in an RHC setting, with suitable terminal controller, can be proved using results by Goodwin et al. (2005), which shows that $\lim_{k\rightarrow\infty}\mathbf{X}(k)\rightarrow 0$, when a receding horizon policy is employed. To relate this result to the stability of $x(k,\Delta)$, we first present the following known result in stochastic stability in terms of the moments of $x(k,\Delta)$. For stochastic dynamical systems in general, stability of moments is a weaker definition of stability than the almost sure stability definition. However, the two definitions are equivalent for linear autonomous systems (pg. 296, Khas’minskii (1969) also pg. 349 Chen and Hsu (1995)). Here we present the definition of asymptotic stability in the $p^{th}$ moment for discrete-time systems. ###### Definition 1 The zero equilibrium state is said to be stable in the $p^{th}$ moment if $\forall\epsilon>0,\,\exists\delta>0$ such that $\sup_{k\geq 0}\mathbf{E}\left[x(k,\Delta)^{p}\right]\leq\epsilon,\;\forall x(0,\Delta):||x(0,\Delta)||\leq\delta,\forall\Delta\in\mathcal{D}_{\Delta}.$ (44) ###### Definition 2 The zero equilibrium state is said to be asymptotically stable in the $p^{th}$ moment if it is stable in $p^{th}$ moment and $\lim_{k\rightarrow\infty}\mathbf{E}\left[x(k,\Delta)^{p}\right]=0,$ (45) for all $x(0,\Delta)$ in the neighbourhood of the zero equilibrium. ###### Proposition 1 For the system in eqn.(4), $\lim_{k\rightarrow\infty}\mathbf{X}(k)\rightarrow 0$ is a sufficient condition for the asymptotic stability of the zero equilibrium state, in all moments. ###### Proof 4.1. To avoid tensor notation and without loss of generality, we consider $x(k,\Delta)\in\mathbb{R}$ and let $\mathbf{X}(k)=[x_{0}(k),x_{1}(k),\cdots,x_{p}(k)]^{T}$ be the gPC expansion of $x(k,\Delta)$. The moments in terms of $x_{i}(k)$ are given by eqn.(34). Therefore, if $\lim_{k\rightarrow\infty}\mathbf{X}(k)\rightarrow 0$ $\implies\lim_{k\rightarrow\infty}x_{i}(k)\rightarrow 0$. Consequently, $\lim_{k\rightarrow\infty}m_{i}(k)\rightarrow 0$ for $i=1,2,\cdots$, and eqn.(45) is satisfied. This completes the proof. $\square$ ## 5 Numerical Example Here we consider the following linear system, similar to that considered in Primbs and Sung (2009), $x(k+1)=(A+G(\Delta))x(k)+Bu(k)$ (46) where $A=\left[\begin{array}[]{cc}1.02&-0.1\\\ .1&.98\end{array}\right],\,B=\left[\begin{array}[]{c}0.1\\\ 0.05\end{array}\right],\,G=\left[\begin{array}[]{cc}0.04&0\\\ 0&0.04\end{array}\right]\Delta.$ The system in consideration is open-loop unstable and the uncertainty appears linearly in the $G$ matrix. Here, $\Delta\in[-1,1]$ and is governed by a uniform distribution, that doesn’t change with time. Consequently, Legendre polynomials is used for gPC approximation and polynomials up to $4^{th}$ order are used to formulate the control. Additionally, we assume that there is no uncertainty in the initial condition. The expectation based constraint is imposed on $x(k,\Delta))$ as $\mathbf{E}\left[\;[1\;\;0]x(k,\Delta)\;\right]\geq-1,$ which in terms of the gPC states, this corresponds to $\left[\begin{array}[]{cc}1&\mathbf{0}_{1\times 2p+1}\end{array}\right]\mathbf{X}(k)\geq-1.$ The terminal controller is designed using probabilistic LQR design techniques described by Fisher and Bhattacharya (2008a). The cost matrices used to determine the terminal controller are $Q=\left[\begin{array}[]{cc}2&0\\\ 0&5\end{array}\right],\,R=1.$ Figure (1) illustrates the performance of the proposed RHC policy The resulting optimization problem is a nonlinear programming problem which has been solved using MATLAB’s fmincon(...) function. From the figure, we see that the constraint on the expected value of $x_{1}$ has been satisfied and the RHC algorithm was able to stabilize the system. These plots have been obtained using $4^{th}$ order gPC approximation of the stochastic dynamics. ## 6 Summary In this paper we present a RHC strategy for linear discrete time systems with probabilistic system parameters. We have used the polynomial chaos framework to design stochastic RHC algorithms in an equivalent deterministic setting. The controller structure has an open loop component that controls the mean behavior of the system, and a state-feedback component that controls deviations about the mean trajectory. This controller structure results in a polynomial optimization problem with polynomial constraints that is solved in the general nonlinear programming framework. Theoretical guarantees for the stability of the proposed algorithm has also been presented. Performance of the RHC algorithm has been assessed using a two dimensional dynamical system. Figure 1: State trajectories with expectation constraints. ## References * Askey and Wilson [1985] R. Askey and J. Wilson. Some basic hypergeometric polynomials that generalize jacobi polynomials. _Memoirs Amer. Math. Soc._ , 319, 1985. * Batina et al. [2002] I. Batina, A. A. Stoorvogel, and S. Weiland. 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arxiv-papers
2014-02-19T07:09:10
2024-09-04T02:49:58.419625
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Raktim Bhattacharya and James Fisher", "submitter": "Raktim Bhattacharya", "url": "https://arxiv.org/abs/1402.4568" }
1402.4601
# Effective representations of Path Semigroups Love Forsberg ###### Abstract. We give a formula which determines the minimal effective dimensions of path semigroups and truncated path semigroups over an uncountable field of characteristic zero. ## 1\. Introduction and preliminaries Let $S$ be a semigroup and $\Bbbk$ a fixed field. In the paper [MS] Mazorchuk and Stienberg addressed the question of dermining the so-called minimal effective dimension $\mathrm{eff.dim}_{\Bbbk}(S)$ of $S$ over $\Bbbk$, that is the minimal $m$ (a positive integer or infinity) for which there is an injective homomorphism from $S$ to the semigroup $\mathrm{Mat}_{m\times m}(\Bbbk)$ of all $m\times m$ matrices with coefficients in $\Bbbk$. If $S$ is finite, it is clear that $\mathrm{eff.dim}_{\Bbbk}(S)<\infty$, more precisely, $\mathrm{eff.dim}_{\Bbbk}(S)\leq|S|+1$, which is the dimension of the regular representation of the semigroup $S^{1}$ obtained from $S$ by formally adjoining an identity element $1$. An effective representation of a semigroup $S$ with $\mathrm{eff.dim}_{\Bbbk}(S)=m$ is an injective homomorphism $S\to\mathrm{Mat}_{m\times m}(\Bbbk)$. One of the examples considered in [MS] was that of truncated path semigroups which we now define. Let $Q=(Q_{0},Q_{1},h,t)$ be a quiver, where $Q_{0}$ is the set of vertices, $Q_{1}$ is the set of arrows, $h:Q_{1}\to Q_{0}$ is the function assigning to each arrow its head and $t:Q_{1}\to Q_{0}$ is the function assigning to each arrow its tail. Denote by $\mathcal{P}$ the set of all oriented paths in $Q$ (including the trivial path $\varepsilon_{x}$ at each vertex $x\in Q_{0}$ and the zero path $\mathtt{z}$). Then $\mathcal{P}$ has the natural structure of a semigroup under the usual concatenation of oriented paths (in case two paths cannot be concatenated, their product is postulated to be the path $\mathtt{z}$ and the latter is the zero element of $\mathcal{P}$). The semigroup $\mathcal{P}$ is called the path semigroup of $Q$. The semigroup $\mathcal{P}$ is finite if and only if the quiver $Q$ is finite and does not have oriented cycles. We write $\mathcal{P}^{*}$ for the set $\mathcal{P}\setminus\\{\mathtt{z}\\}$ of non-zero paths. There is a unique function $\mathfrak{l}:\mathcal{P}^{*}\to\\{0,1,2,\dots\\}$, called the path length, having the properties that the length of each arrow is $1$ and $\mathfrak{l}(pq)=\mathfrak{l}(p)+\mathfrak{l}(q)$ whenever $p,q,pq\in\mathcal{P}^{*}$ (note that $\mathfrak{l}(\varepsilon_{x})=0$ for each $x\in Q_{0}$). Elements of $Q_{1}$ thus can be identified with all paths of length $1$. Let $J\subset\mathcal{P}$ be the two-sided ideal of $\mathcal{P}$ generated by $Q_{1}$. For every $N\in\\{1,2,3,\dots\\}$ we define the _truncated path semigroup_ as $\mathcal{P}_{N}:=\mathcal{P}/J^{N}$. Note that the semigroup $\mathcal{P}_{N}$ is finite whenever $Q$ is. In [MS, Subsection 8.1] one finds a formula for the effective dimension of $\mathcal{P}_{N}$ in the case when every vertex in $Q$ appears in some oriented cycle (or loop). The aim of this paper is give a formula for the effective dimension of $\mathcal{P}_{N}$ for any $Q$. From now on we assume that $Q$ is finite and set $n=|Q_{0}|$. Consider the path algebra $\Bbbk[Q]$ of $Q$ which is the $\mathtt{z}$-reduced semigroup algebra of $\mathcal{P}$ over $\Bbbk$. The algebra $\Bbbk[Q]$ is unital with unit element $1=\sum_{x\in Q_{0}}\varepsilon_{x}$ where $\varepsilon_{x}$ are pairwise orthogonal idempotents. This implies that any $\Bbbk[Q]$-module $V$ splits as a direct sum of vector spaces $V=\bigoplus_{x\in Q_{0}}V_{x},$ where $V_{x}=\varepsilon_{x}V$. Given a $\Bbbk[Q]$-module $V$, we set $D_{x}=\dim(V_{x})$. Each arrow $\alpha:x\to y$ acts as zero on all $V_{z}$ such that $z\neq x$ and hence is uniquely determined by the induced linear map from $V_{x}$ to $V_{y}$. Hence we can make the following convention: A matrix representation of $\mathcal{P}$ or $\mathcal{P}_{N}$ is an assignment to each arrow $\alpha\in Q_{1}$ a $D_{y}\times D_{x}$-matrix with coefficients in $\Bbbk$ representing the action of $\alpha$ in fixed bases of $V_{x}$ and $V_{y}$. For more details on representations of quivers we refer the reader to [GR]. Note that $\mathcal{P}_{N}$-modules are exactly $\mathcal{P}$-modules annihilated by $J^{N}$. We will usually denote $\mathcal{P}$\- or $\mathcal{P}_{N}$-modules by $V$ and the corresponding representation by $R$. ## 2\. Path semigroups In [MS, Section 8] one finds formulae for effective dimension of path semigroups over $\Bbbk$ in case of acyclic $Q$ and algebraically closed $\Bbbk$. In this section we determine the effective dimension of path semigroups for all finite quivers at the expense of assuming $\Bbbk$ to be a field containing an infinite purely transcendental extension of its prime subfield (for example, $\mathbb{R}\subset\Bbbk$). We denote by $\mathbb{N}$ the set of positive integers and by $\mathbb{N}_{0}$ the set of non-negative integers. For $x\in Q_{0}$ let $\mathcal{P}_{x}$ denote the set of all paths in $\mathcal{P}^{*}$ which start and terminate at $x$. Then $\mathcal{P}_{x}$ is a subsemigroup of $\mathcal{P}$, in fact, $\mathcal{P}_{x}$ is a monoid with identity $\varepsilon_{x}$. Denote by $A$ the set of all vertices $x\in Q_{0}$ for which $\mathcal{P}_{x}$ is not commutative and set $B:=Q_{0}\setminus A$. ###### Lemma 1. Let $x\in Q_{0}$. 1. $($i$)$ The monoid $\mathcal{P}_{x}$ has a unique irreducible generating system (which we denote by $M_{x}$). 2. $($ii$)$ The monoid $\mathcal{P}_{x}$ is free over $M_{x}$. 3. $($iii$)$ The monoid $\mathcal{P}_{x}$ is commutative if and only if $|M_{x}|\leq 1$. ###### Proof. Define $N_{i}$ and $\tilde{N}_{i}$ for $i\in\mathbb{N}$ recursively as follows: * • $N_{1}$ is the set of all paths of length $1$ in $\mathcal{P}_{x}$; * • $\tilde{N}_{1}$ is the subsemigroup of $\mathcal{P}_{x}$ generated by $N_{1}$; * • $N_{2}$ is the set of all paths of length $2$ in $\mathcal{P}_{x}\setminus\tilde{N}_{1}$; * • $\tilde{N}_{2}$ is the subsemigroup of $\mathcal{P}_{x}$ generated by $N_{1}\cup N_{2}$; * • $N_{3}$ is the set of all paths of length $3$ in $\mathcal{P}_{x}\setminus\tilde{N}_{2}$; * • $\tilde{N}_{3}$ is the subsemigroup of $\mathcal{P}_{x}$ generated by $N_{1}\cup N_{2}\cup N_{3}$; * • and so on. From this definition it is clear that the set $M_{x}=N_{1}\cup N_{2}\cup\dots$ is a generating system of $\mathcal{P}_{x}$ (as a monoid) and that it is included in every generating system of $\mathcal{P}_{x}$ (as a monoid). Claim (i) follows. Assume that $\mathcal{P}_{x}$ is not free over $M_{x}$. Then there exist $a_{1},a_{2},\dots,a_{k},b_{1},b_{2},\dots,b_{l}\in M_{x}$ such that $a_{1}a_{2}\cdots a_{k}=b_{1}b_{2}\cdots b_{l}$. This can be chosen such that $(k,l)$ is minimal possible with respect to the lexicographic order (note that, obviously, both $k,l>0$). If $\mathfrak{l}(a_{k})<\mathfrak{l}(b_{l})$, then $b_{l}=ta_{k}$ for some $t\in\mathcal{P}_{x}$ which contradicts $b_{l}\in M_{x}$. Therefore this case is not possible. Similarly $\mathfrak{l}(a_{k})>\mathfrak{l}(b_{l})$ is not possible. This means that $\mathfrak{l}(a_{k})=\mathfrak{l}(b_{l})$ and hence $a_{k}=b_{l}$. Therefore $a_{1}a_{2}\dots a_{k-1}=b_{1}b_{2}\dots b_{l-1}$ which contradicts minimality of $(k,l)$. This proves claim (ii) and claim (iii) follows directly from claim (ii). ∎ A generator of $\mathcal{P}_{x}$ will be called a minimal oriented cycle starting at $x$ ###### Lemma 2. Let $V$ be an effective $S$-module and $x\in A$. Then $D_{x}\geq 2$ and $\mathrm{eff.dim}_{\Bbbk}(S)\geq 2|A|+|B|=|A|+n.$ ###### Proof. It is clear that $D_{x}\geq 1$ for all $x\in Q_{0}$ (for otherwise the actions of $\varepsilon_{x}$ and $\mathtt{z}$ would coincide). Assume $x\in A$ and $D_{x}=1$. Then $\mathcal{P}_{x}$ acts effectively acts on the $1$-dimensional vector space $V_{x}$. However, the semigroup of linear endomorphisms of $V_{x}$ is commutative (as $V_{x}$ is one dimensional), while $\mathcal{P}_{x}$ is not (as $x\in A$), a contradiction. This implies that $D_{x}>1$ for $x\in A$, that is $D_{x}\geq 2$. As $|A|+|B|=|Q_{0}|=n$, the claim of the lemma follows. ∎ To prove that the bound given by Lemma 2 is sharp, we will need the following construction: For a fixed positive integer $k$ consider the alphabet $A=\\{a_{1},a_{2},\dots,a_{k}\\}$ and the free monoid $A^{*}$ of all finite words over $A$ with respect to concatenation of words. Let $\Bbbk_{k}$ be the purely transcendental extension of its prime subfield $\mathbb{K}$ with basis $\mathbf{B}:=\\{\tau_{i},\eta_{i},\zeta_{i}\,|\,i=1,2,\dots,k\\}$. ###### Lemma 3. There is a unique representation $R:A^{*}\to\mathrm{Mat}_{2\times 2}(\Bbbk_{k})$ such that $R(a_{i})=\left(\begin{array}[]{cc}\tau_{i}&\eta_{i}\\\ 0&\zeta_{i}\end{array}\right),$ moreover, the map $R$ is injective. ###### Proof. Existence and uniqueness of $R$ follows from the fact that $A^{*}$ is free over $A$. For $a_{i_{1}}a_{i_{2}}\dots a_{i_{l}}\in A^{*}$ the coefficient in the first row and second column of the matrix $R(a_{i_{1}}a_{i_{2}}\dots a_{i_{l}})$ equals $\sum_{i=1}^{l}\tau_{1}\tau_{2}\cdots\tau_{i-1}\eta_{i}\zeta_{i+1}\zeta_{i+2}\cdots\zeta_{l}.$ This uniquely determines the sequence $i_{1},i_{2},\dots,i_{l}$ and the claim about injectivity follows. ∎ For a fixed $Q$ let $\Bbbk_{Q}$ be the purely transcendental extension of its prime subfield $\mathbb{K}$ with basis $\mathbf{B}:=\\{\tau_{\alpha},\eta_{\alpha},\zeta_{\alpha}\,|\,\alpha\in Q_{1}\\}$. For $\alpha\in Q_{1}$ set $\mathbf{B}_{\alpha}:=\\{\tau_{\alpha},\eta_{\alpha},\zeta_{\alpha}\\}$. For $x,y\in Q_{0}$ write $x\sim y$ if $x=y$ or there is an oriented path from $x$ to $y$ as well as an oriented path from $y$ to $x$. ###### Lemma 4. Let $x,y\in Q_{0}$ be such that $x\sim y$. Then $x\in A$ if and only if $y\in A$. ###### Proof. As $x\sim y$, there exist paths $\omega_{xy}:x\to y$ and $\omega_{yx}:y\to x$. Assume $x\in A$. Let $\omega_{1}$ and $\omega_{2}$ be two different minimal oriented cycles in $\mathcal{P}_{x}$. Then $\omega_{xy}\omega_{1}\omega_{yx}$ and $\omega_{xy}\omega_{2}\omega_{yx}$ are two noncommuting elements in $\mathcal{P}_{x}$, proving $y\in A$. Claim now follows by symmetry. ∎ The following is our first main result. ###### Theorem 5. Let $Q$ be a finite quiver and $\mathcal{P}$ the corresponding path semigroup. Then $\mathrm{eff.dim}_{\Bbbk_{Q}}(\mathcal{P})=|A|+n.$ ###### Proof. We only need to show that the bound given by Lemma 2 is sharp. To do this we construct an effective matrix representation $V$ of $\mathcal{P}$ as follows: set $D_{x}=\dim(V_{x})=\begin{cases}2,&x\in A;\\\ 1,&x\in B;\end{cases}$ with a fixed basis in each $V_{x}$. To each $\alpha\in Q_{1}$ we assign a $\Bbbk_{Q}$-matrix with $D_{h(\alpha)}$ rows and $D_{t(\alpha)}$ columns by the following rule: * • If $h(\alpha_{i}),t(\alpha_{i})\in A$, then we assign to $\alpha$ the matrix $\left(\begin{array}[]{cc}\tau_{\alpha}&\eta_{\alpha}\\\ 0&\zeta_{\alpha}\end{array}\right)$. * • If $h(\alpha_{i})\in A$ and $t(\alpha_{i})\in B$, then we assign to $\alpha$ the matrix $(\tau_{\alpha}\,\,\,\zeta_{\alpha})$. * • If $h(\alpha_{i})\in B$ and $t(\alpha_{i})\in A$, then we assign to $\alpha$ the matrix $\left(\begin{array}[]{c}\tau_{\alpha}\\\ \zeta_{\alpha}\end{array}\right)$. * • If $h(\alpha_{i}),t(\alpha_{i})\in B$, then we assign to $\alpha$ the matrix $(\tau_{\alpha})$. Finally, to each $\varepsilon_{x}$ we assign the identity matrix of size $D_{x}$ and to each path of length more than $1$ the corresponding product of the matrices assigned to arrows which this path consists of. It is obvious that this gives a well-defined representation of $\mathcal{P}$. It remains to show that this representation sends different elements of $\mathcal{P}$ to different linear operators. Let $x,y\in Q_{0}$ and $\omega$ be an oriented paths from $x$ to $y$. Directly from the above construction it follows that each coefficient of the matrix representing $\omega$ is a homogeneous polynomial in elements from $\mathbf{B}$. If this coefficient is nonzero (which is the case for all diagonal entries and all entries above the diagonal, in case the latter exist), this polynomial has degree $\mathfrak{l}(\omega)$ and depends on at least one element from $\\{\tau_{\alpha},\eta_{\alpha},\zeta_{\alpha}\\}$ for each arrow $\alpha$ in $\omega$. Let $x,y\in Q_{0}$ and $\omega,\omega^{\prime}$ be two paths from $x$ to $y$. We have to show that $\omega$ and $\eta$ are represented by different linear operators. From the previous paragraph it follows that this is clear in the case when $\omega$ and $\omega^{\prime}$ have different lengths and in the case when one of these paths contains an arrow which is not contained in the other path. Assume that there exists $x,y\in Q_{0}$ and $\omega,\omega^{\prime}$ two different paths from $x$ to $y$ such that $R(\omega)=R(\omega^{\prime})$. Without loss of generality we may assume that the pair $(\mathfrak{l}(x),\mathfrak{l}(y))$ is minimal with respect to the lexicographic order. Write $\omega$ in the form $\omega_{1}\beta_{1}\omega_{2}\beta_{2}\cdots\omega_{k-1}\beta_{k-1}\omega_{k}$ where $\omega_{i}$ are (possibly trivial) paths inside an equivalence class of the relation $\sim$ and $\beta_{i}$ are arrow between equivalence classes. From the above it then follows that $\omega^{\prime}$ can similarly be written as $\omega^{\prime}_{1}\beta_{1}\omega^{\prime}_{2}\beta_{2}\cdots\omega^{\prime}_{k-1}\beta_{k-1}\omega^{\prime}_{k}$. Assume $\omega_{1}$ is a trivial path. Then $\omega$ has no arrow starting from the $\sim$-equivalence class of $h(\beta_{1})$. From the above we get that $\omega^{\prime}$ has no arrow starting from the $\sim$-equivalence class of $h(\beta_{1})$ and hence $\omega^{\prime}_{1}$ is a trivial path as well. We claim that this implies (2.1) $R(\omega_{2}\beta_{2}\cdots\omega_{k-1}\beta_{k-1}\omega_{k})=R(\omega^{\prime}_{2}\beta_{2}\cdots\omega^{\prime}_{k-1}\beta_{k-1}\omega^{\prime}_{k})$ which would then contradict the minimality of $(\mathfrak{l}(x),\mathfrak{l}(y))$. To prove (2.1), the only non-trivial case to consider is when $R(\beta_{1})$ is not injective, that is $t(\beta_{1})\in A$ and $h(\beta_{1})\in B$. Assume $R(\omega_{2}\beta_{2}\cdots\omega_{k-1}\beta_{k-1}\omega_{k})=\left(\begin{array}[]{cc}a&b\\\ 0&c\end{array}\right)\neq\left(\begin{array}[]{cc}a^{\prime}&b^{\prime}\\\ 0&c^{\prime}\end{array}\right)=R(\omega^{\prime}_{2}\beta_{2}\cdots\omega^{\prime}_{k-1}\beta_{k-1}\omega^{\prime}_{k}).$ Then none of $a,b,c,a^{\prime},b^{\prime},c^{\prime}$ depends on $\tau_{\beta_{1}}$ or $\zeta_{\beta_{1}}$ and hence we have $R(\omega)=\left(\begin{array}[]{cc}\tau_{\beta_{1}}&\zeta_{\beta_{1}}\end{array}\right)\left(\begin{array}[]{cc}a&b\\\ 0&c\end{array}\right)=\left(\begin{array}[]{cc}\tau_{\beta_{1}}a&\tau_{\beta_{1}}b+\zeta_{\beta_{1}}c\end{array}\right)\neq\\\ \neq\left(\begin{array}[]{cc}\tau_{\beta_{1}}a^{\prime}&\tau_{\beta_{1}}b^{\prime}+\zeta_{\beta_{1}}c^{\prime}\end{array}\right)=\left(\begin{array}[]{cc}\tau_{\beta_{1}}&\zeta_{\beta_{1}}\end{array}\right)\left(\begin{array}[]{cc}a^{\prime}&b^{\prime}\\\ 0&c^{\prime}\end{array}\right)=R(\omega^{\prime}),$ a contradiction. Therefore $\omega_{1}$ is non-trivial and thus $R(\omega_{1})$ is invertible by construction and Lemma 4 as both the starting point and the ending point of $\omega_{1}$ belong to the same $\sim$-equivalence class. Multiplying with $R(\omega_{1})^{-1}$ we get $R(\beta_{1}\omega_{2}\beta_{2}\cdots\omega_{k-1}\beta_{k-1}\omega_{k})=R(\omega_{1})^{-1}R(\omega^{\prime}_{1})R(\beta_{1}\omega^{\prime}_{2}\beta_{2}\cdots\omega^{\prime}_{k-1}\beta_{k-1}\omega^{\prime}_{k}).$ Note that the left hand side does not depend on elements in $\mathbf{B}_{\alpha}$ for $\alpha$ occurring in $\omega_{1}$. Hence the right hand side does not depend on these elements either which forces the injective linear map $R(\omega_{1})^{-1}R(\omega^{\prime}_{1})$ to be the identity linear map as the image of the linear map $R(\beta_{1}\omega^{\prime}_{2}\beta_{2}\cdots\omega^{\prime}_{k-1}\beta_{k-1}\omega^{\prime}_{k})$ is nonzero by construction. Therefore in this case we have the equality $R(\omega_{1})=R(\omega^{\prime}_{1})$. If $\beta_{1}\omega_{2}\beta_{2}\cdots\omega_{k-1}\beta_{k-1}\omega_{k}$ or $\beta_{1}\omega^{\prime}_{2}\beta_{2}\cdots\omega^{\prime}_{k-1}\beta_{k-1}\omega^{\prime}_{k}$ is non-trivial, the above gives $R(\beta_{1}\omega_{2}\beta_{2}\cdots\omega_{k-1}\beta_{k-1}\omega_{k})=R(\beta_{1}\omega^{\prime}_{2}\beta_{2}\cdots\omega^{\prime}_{k-1}\beta_{k-1}\omega^{\prime}_{k})$ which contradicts minimality of $(\mathfrak{l}(x),\mathfrak{l}(y))$. Hence $\omega=\omega_{1}$ and $\omega^{\prime}=\omega^{\prime}_{1}$. If $x\in A$, then $R(\omega)=R(\omega^{\prime})$ implies $\omega=\omega^{\prime}$ by Lemma 3, a contradiction. Therefore $x,y\in B$. In this case there is a unique minimal oriented cycle $q$ from $x$ to $x$ ($q$ may be a trivial path) and hence a unique path $p$ of minimal length from $x$ to $y$ (for otherwise, composing two different such minimal paths from $x$ to $y$ with a minimal path from $y$ to $x$ we would get two minimal oriented cycles from $x$ to $x$). Any path from $x$ to $y$ has thus the form $pq^{l}$ for some positive integer $l$. In particular, two paths of the same length from $x$ to $y$ must coincide, which contradicts our choice of $\omega$ and $\omega^{\prime}$. This final contradiction completes the proof of the theorem. ∎ ## 3\. Truncated path semigroups As truncated path semigroups are obtained by adding some relations to usual path semigroups, it is reasonable to expect that the effective dimension increases, e.g. compare the statements of Theorem 5 above with the results of [MS, Subsection 8.2]. Let $\Bbbk$ be any field, $N\in\mathbb{N}$ and $V$ a representation of $\mathcal{P}_{N}$. For every $k\in\mathbb{N}_{0}$ let $W^{(k)}=\mathrm{span}\\{\omega V\,|\,\omega\in\mathcal{P},\,\,l(\omega)=k\\}$. By convention, $\omega=\mathtt{z}$ when $\mathfrak{l}(\omega)\geq N$, which gives $W^{(N)}=0$. Thus we get the chain of subspaces $V=W^{(0)}\supset W^{(1)}\supset\cdots\supset W^{(N-1)}\supset W^{(N)}=0.$ For every $x\in Q_{0}$ set $W_{x}^{(k)}:=V_{x}\cap W^{(k)}$ and choose _some_ $V_{x}^{(k)}\subset W^{(k)}_{x}$ such that $W_{x}^{(k)}=V_{x}^{(k)}\oplus W_{x}^{(k+1)}$. Set $\displaystyle V^{(k)}:=\bigoplus_{x\in Q_{0}}V_{x}^{(k)}$. This gives the vector space decompositions $V=\bigoplus_{i=0}^{N-1}V^{(i)}=\bigoplus_{x\in Q_{0}}V_{x}=\bigoplus_{\begin{subarray}{c}0\leq i\leq N-1\\\ x\in Q_{0}\end{subarray}}V_{x}^{(i)}.$ In any module $V$, let $D_{x}^{(i)}:=\dim(V_{x}^{(i)})$, which gives $D_{x}=\sum_{i=0}^{N-1}D_{x}^{(i)}$. From the definition of $W^{(i)}$ for any $\omega\in\mathcal{P}$ we have $\omega W^{(i)}\subset W_{h(\omega)}^{(i+\mathfrak{l}(\omega))}$. ###### Lemma 6. Let $x\in Q_{0}$ be such that there are paths $\omega_{l}$, $\omega_{r}$ and $0\leq k<N$ such that $\mathfrak{l}(\omega_{l})=k$, $\mathfrak{l}(\omega_{r})=N-1-k$ and $h(\omega_{l})=t(\omega_{r})=x$. Then $D_{x}^{(k)}\geq 1$ for every effective $\mathcal{P}$-module $V$. ###### Proof. Assume $D_{x}^{(k)}=0$, that is $V_{x}^{(k)}=0$, and let $y=t(\omega_{l})$ and $z=h(\omega_{r})$. Then $\omega_{l}(V)=\omega_{l}(V_{y})=\omega_{l}(W_{y}^{(0)})\subset W_{x}^{(l(\omega_{l}))}=W_{x}^{(k)}=V_{x}^{(k)}\oplus W_{x}^{(k+1)}=W_{x}^{(k+1)}\mathrm{\ and}$ $\omega_{r}(W_{x}^{(k+1)})\subset W_{z}^{(k+1+l(\omega_{r}))}=W_{z}^{(k+1+N-1-k)}=W_{z}^{(N)}=0.$ Thus $\omega_{r}\omega_{l}(V)=0$ and $\omega_{r}\omega_{l}$ acts as $\mathtt{z}$ on $V$ contradicting effectiveness. ∎ For $x\in Q_{0}$ define $K(x):=\big{\\{}k\in\\{0,\cdots,N-1\\}\,|\,\text{ there are paths }\omega_{l},\omega_{r}\text{ such that }\\\ \mathfrak{l}(\omega_{l})=k,\mathfrak{l}(\omega_{r})=N-1-k\text{ and }h(\omega_{l})=t(\omega_{r})=x\big{\\}}.$ Set $B:=\\{x\in Q_{0}\,|\,K(x)=\varnothing\\}$ and $A:=Q_{0}\setminus B$. For $x\in A$ set $\underline{k}_{x}:=\min(K(x))\quad\text{ and }\quad\overline{k}_{x}:=\max(K(x)).$ For $x\in Q_{0}$ define $l_{x}^{-}:=\sup\\{\mathfrak{l}(\omega)\,|\,\omega\in\mathcal{P}\text{ and }h(\omega)=x\\}\text{ and }l_{x}^{+}:=\sup\\{\mathfrak{l}(\omega)\,|\,\omega\in\mathcal{P}\text{ and }t(\omega)=x\\}.$ We are now ready to state our second main result. ###### Theorem 7. Define $d_{x}:=\min\big{\\{}l_{x}^{-}+1,l_{x}^{+}+1,N,\max\\{l_{x}^{-}+l_{x}^{+}+2-N,1\\}\big{\\}}$. 1. $($i$)$ For every effective $\mathcal{P}_{N}$-module $V$ over any field $\Bbbk$ we have $D_{x}\geq d_{x}$. 2. $($ii$)$ If $\Bbbk$ has characteristic zero or is uncountable, then $D_{x}=d_{x}$ for some effective $\mathcal{P}_{N}$-module (over $\Bbbk)$ and $\mathrm{eff.dim}_{\Bbbk}(\mathcal{P}_{N})=\sum_{x\in Q_{0}}d_{x}$. ###### Proof. First we prove claim (i). Let $x\in Q_{0}$. Then $x\in A$ or $x\in B$. In any case, $D_{x}\geq|K(x)|$ by Lemma 6. Assume first that $x\in A$. Then $K(x)\neq\varnothing$ and it suffices to show that $|K(x)|\geq d_{x}$. As $K(x)\neq\varnothing$, there is some path of length $N-1$ passing through $x$, which means that $l_{x}^{-}+l_{x}^{+}\geq N-1$, in particular, $l_{x}^{-}+l_{x}^{+}-N+2\geq 1$ and thus $\max\\{l_{x}^{-}+l_{x}^{+}+2-N,1\\}=l_{x}^{-}+l_{x}^{+}-N+2$. Pick some paths $\omega_{-},\omega_{+}$ such that $h(\omega_{-})=t(\omega_{+})=x$ and $l(\omega_{\pm})=\min(l_{x}^{\pm},N-1)$. Let $\omega_{\min(l_{x}^{-},N-1)}$ be a path of length $N-1$ that starts with $\omega_{-}$ and continues into $\omega_{+}$ (if needed). From Lemma 6 we get $\min(l_{x}^{-},N-1)\in K(x)$. Now we repeat recursively the following procedure as long as possible: Change $\omega_{k}$ to $\omega_{k-1}$ by removing the tail arrow and adding a new head arrow from $\omega_{+}$. On each step of this procedure we get a new $\omega_{k-1}$ with $k-1\in K(x)$. This procedure can stop for two reasons: * • There are no more arrows from $\omega_{-}$ to remove. * • There are no more arrows from $\omega_{+}$ to add. The first case (there are no more arrows from $\omega_{-}$ to remove) can only happen if the latest $k-1$ created is equal to $0$. In this case $K(x)\supset\\{0,1,\cdots,\min(l_{x}^{-},N-1)\\}$ and hence $|K(x)|\geq\min(l_{x}^{-}+1,N)$ and we are done. We split the second case (there are no more arrows from $\omega_{+}$ to add) into two subcases. The first subcase is that $\omega_{\min(l_{x}^{-},N-1)}=\omega_{-}$, that is $l_{x}^{-}\geq N-1$. In this subcase we have $K(x)\supset\\{N-1,N-2,\cdots,N-1-\min(l_{x}^{+},N-1)\\}$ which implies that $|K(x)|\geq\min(l_{x}^{+}+1,N)$ and we are done. The second subcase is when $\omega_{\min(l_{x}^{-},N-1)}\neq\omega_{-}$. In this subcase we have $l_{x}^{-}<N-1$ and $K(x)\supset T:=\\{l_{x}^{-},l_{x}^{-}-1,\cdots,N-1-\min(l_{x}^{+},N-1)\\}.$ Hence $|K(x)|\geq|T|=(l_{x}^{-}+\min(l_{x}^{+},N-1)+2-N)$. If $\min(l_{x}^{+},N-1)=l_{x}^{+}$, this gives $|K(x)|\geq l_{x}^{-}+l_{x}^{+}+2-N$ and we are done. If $\min(l_{x}^{+},N-1)=N-1$, this gives $|K(x)|\geq l_{x}^{-}+1$ and we are done. This completes verification of $D_{x}\geq|K(x)|\geq d_{x}$ for $x\in A$. Assume now that $x\in B$. In this case $l_{x}^{-}+l_{x}^{+}+2-N\leq 0$ and $d_{x}=1$. The fact that $D_{x}\geq 1$ is clear as $\varepsilon_{x}$ acts as the identity on $V_{x}$ and this should be different from the action of $\mathtt{z}$ which acts as zero. This completes the proof of claim (i) and implies $\mathrm{eff.dim}_{\Bbbk}(\mathcal{P}_{N})\geq\sum_{x\in Q_{0}}d_{x}.$ To prove claim (ii) we assume that $\Bbbk$ has characteristic zero or is uncountable. We have to construct an effective representation $V$ such that $D_{x}=d_{x}$ for every $x\in Q_{0}$. To do this we define the following: * • for $x\in A$ and $k\in K(x)$ let $V_{x}^{(k)}$ be the one-dimensional vector space with basis $\\{v_{x}^{(k)}\\}$; * • for $x\in A$ and $k\not\in K(x)$ let $V_{x}^{(k)}$ be the zero vector space; * • for $x\in B$ let $V_{x}$ be the one-dimensional vector space with basis $\\{v_{x}\\}$. Set $V:=\big{(}\bigoplus_{\begin{subarray}{c}0\leq i\leq N-1\\\ x\in A\end{subarray}}V_{x}^{(i)}\big{)}\oplus\big{(}\bigoplus_{x\in B}V_{x}\big{)}.$ Fix an injective map $(\alpha,k)\mapsto p_{\alpha,k}$ from the set of all pairs $(\alpha,k)$ where $\alpha\in Q_{1}$ and $0\leq k\leq N$ to the set of positive integer prime numbers if $\Bbbk$ has charachteristic 0. In case $\Bbbk$ is uncountable we choose the codomain as a basis of a purely transcendental extension over its prime subfield by sufficiently many base elements. Define the action of $\mathcal{P}_{N}$ on $V$ as follows: * • the zero element of $\mathcal{P}_{N}$ acts as zero; * • $\varepsilon_{x}$ acts as the identity on $V_{x}$ and as zero on $V_{y}$, $y\neq x$; * • for every arrow $\alpha:x\to y$ with $x,y\in A$ we have $\alpha:v_{x}^{(N-1)}\to 0$ and for each $k\in K(x)$ we have $\alpha:v_{x}^{(k)}\to p_{\alpha,k}v_{y}^{(j)}$, where $j=\min\\{i\in\\{k+1,k+2,\dots,N-1\\}\,|\,V_{y}^{(i)}\neq 0\\};$ * • for every arrow $\alpha:x\to y$ with $x\in A$ and $y\in B$ and for each $k\in K(x)$ we have $\alpha:v_{x}^{(k)}\to p_{\alpha,k}v_{y}$; * • for every arrow $\alpha:x\to y$ with $x\in B$ and $y\in A$ we have $\alpha:v_{x}\to p_{\alpha,0}v_{y}^{(\underline{k}_{y})}$; * • for every arrow $\alpha:x\to y$ with $x,y\in B$ we have $\alpha:v_{x}\to p_{\alpha,0}v_{y}$; * • actions of paths of length greater than one are defined using composition of maps. Assume that $x,y\in A$ and $k\in K(x)$. Let $\omega_{-}$ and $\omega_{+}$ be two paths such that $\mathfrak{l}(\omega_{-})=k$, $\mathfrak{l}(\omega_{+})=N-1-k$ and $h(\omega_{-})=t(\omega_{+})=x$. Assume further that there is an arrow $\alpha$ from $x$ to $y$. If $N-1-k\leq l_{y}^{+}+1$, then without loss of generality we may assume that $\alpha$ is the first arrow in $\omega_{+}$. In this case we directly get $k+1\in K(y)$. If $l_{y}^{+}+1<N-1-k$, then any $k^{\prime}\in K(y)$ satisfies $N-1-k^{\prime}\leq l_{y}^{+}<N-1-k$ which implies $k^{\prime}>k$. Since $K(y)$ is not empty (as $y\in A$), we get that the set $\\{i\in\\{k+1,k+2,\dots,N-1\\}|V_{y}^{(i)}\neq 0\\}$ is non-empty. Therefore the above definitions make sense. The only non-trivial relation to check is the fact that any path $\omega$ with $\mathfrak{l}(\omega)\geq N$ acts as zero. From the definition of $B$ it follows that each arrow in $\omega$ is an arrow between two vartices in $A$. From the definition of the action we then see that $\omega(V_{t(\omega)}^{(i)})\subset V^{(i+\mathfrak{l}(\omega))}_{h(\omega)}.$ This implies $\omega(V)\subset 0$ and thus $V$ is a $\mathcal{P}_{N}$-module. It remains to show that our module is effective. For this we need to show that paths of length at most $N-1$ act in a non-zero way and pairwise differently. A path $\omega$ is said to be maximal if there is no arrow $\alpha$ such that $\alpha\omega$ or $\omega\alpha$ is nonzero. Note that if a path $\omega$ acts in a nonzero way, then $h(\omega)$ can be recovered as the unique $y$ such that $\omega(V)\subset V_{y}$. Moreover, $t(\omega)$ can be recovered as the unique $x$ such that $\omega(V_{x})\neq 0$. Thus if two different paths $\omega_{1}$ and $\omega_{2}$ act equally and in a nonzero way, then they share the same head and the same tail. Furtheremore, the action of each maximal path $\omega_{l}\omega_{1}\omega_{r}$ coincides with the action of $\omega_{l}\omega_{2}\omega_{r}$. Thus it suffices to show that all maximal paths act nonzero and differently. To simplify notation let $\hat{v}_{x}:=\begin{cases}v_{x}^{(\underline{k}_{x})},&x\in A;\\\ v_{x},&x\in B;\end{cases}\qquad\qquad\check{v}_{y}:=\begin{cases}v_{y}^{(\overline{k}_{x})},&y\in A;\\\ v_{y},&y\in B.\end{cases}$ Let $\omega=\alpha_{N-1}\alpha_{N-2}\cdots\alpha_{2}\alpha_{1}$ be a path of length $N-1$ and set $x_{i}:=h(\alpha_{i})=t(\alpha_{i+1})$ with $x_{0}:=t(\alpha_{1})$. Then from Lemma 6 and our construction we get that $V_{x_{i}}^{(i)}$ is nonzero for all $i$ and $\omega(\hat{v}_{x})=p_{\alpha_{1},0}p_{\alpha_{2},1}\cdots p_{\alpha_{N-1},N-2}\check{v}_{y}$. Injectivity of the map $(\alpha,k)\mapsto p_{\alpha,k}$ guarantees that the coefficient at $\check{v}_{y}$ uniquely determines the sequence $(\alpha_{1},0),(\alpha_{2},1),\dots,(\alpha_{N-1},N-2)$ which uniquely deretmines $\omega$. Finally, assume that $\omega=\alpha_{k}\alpha_{k-1}\cdots\alpha_{2}\alpha_{1}$ for some $k<N-1$. Set $w_{0}=\hat{v}_{x}$ and $w_{i}=\alpha_{i}\cdots\alpha_{2}\alpha_{1}(\hat{v}_{x})$ for $i=1,2,\dots,k$. Let us prove that $w_{i}$ is nonzero for all $i=0,1,2,\dots,k$ by induction. The basis is obvious. Assume $w_{i}\neq 0$. If $\alpha_{i+1}$ is adjacent to at least one vertex in $B$, we have $\alpha_{i+1}(w_{i})\neq 0$ directly by construction. Assume now that $\alpha_{i+1}$ is an arrow between two vertices in $A$. By construction, the only basis element in $V_{t(\alpha_{i+1})}$ which $\alpha_{i+1}$ annihilates is the one which is in the image of some path of length $N-2$. We have $i<N-2$. Hence $\alpha_{i+1}w_{i}\neq 0$ if $t(\alpha_{j})\in A$ for all $j\leq i$. Otherwise let $j$ be maximal such that $j\leq i$ and $t(\alpha_{j})\in B$. Then, by construction, $\alpha_{j}(w_{j-1})$ is a non-zero multiple of $\hat{v}_{h(\alpha_{j})}$, which implies that $w_{i}$ is not in the image of a path of length $N-2$ and therefore $\alpha_{i+1}(w_{i})\neq 0$ again. This shows that $\omega$ acts in a nonzero way on $V$. As $\omega$ is a maximal path of length strictly less than $N-1$, it is uniquely determined by the arrows it consists of. Injectivity of the map $(\alpha,k)\mapsto p_{\alpha,k}$ thus implies that $\omega$ is uniquely determined by the prime decomposition of the coefficients in its matrix. This completes the proof. ∎ Theorem 7 implies the following stabilization property for $\mathrm{eff.dim}_{\Bbbk}(\mathcal{P}_{N})$: ###### Corollary 8. Assume that $\Bbbk$ has characteristic zero. Then there exist $a,b\in\mathbb{N}_{0}$ such that $\mathrm{eff.dim}_{\Bbbk}(\mathcal{P}_{N})=aN+b\quad\text{ for all }\quad N\geq n.$ ###### Proof. For each $x$ the numbers $l_{x}^{-}$ and $l_{x}^{+}$ satisfy $l_{x}^{-}+l_{x}^{+}\in\\{0,1,\cdots,n-1,\infty\\}$ as any path of length at least $n$ must contain a subcycle. This means that we always have one of the following three cases: * • Both $l_{x}^{-}$ and $l_{x}^{+}$ are finite, and thus $l_{x}^{-}+l_{x}^{+}\leq n-1$. Then for all $N>n$ we have $l_{x}^{-}+l_{x}^{+}+2-N\leq 1$ and $d_{x}=1$. * • Exactly one of $l_{x}^{-},l_{x}^{+}$ is finite. Then $d_{x}=\min\\{l_{x}^{-},l_{x}^{+}\\}+1$ for all $N\geq n$. * • Both $l_{x}^{-},l_{x}^{+}$ are infinite. Then $d_{x}=N$ for all $N\geq 1$. Therefore we can take $a$ to be the number of $x$ such that both $l_{x}^{-},l_{x}^{+}$ are infinite. As $b$ we take the sum of $1$’s over all $x$ such that both $l_{x}^{-}$ and $l_{x}^{+}$ are finite plus the sum of $\min\\{l_{x}^{-},l_{x}^{+}\\}+1$ over all $x$ such that exactly one of $l_{x}^{-}$ and $l_{x}^{+}$ is finite. The claim follows. ∎ From Corollary 8 it follows that to calculate $\mathrm{eff.dim}_{\Bbbk}(\mathcal{P}_{N})$ for all $N\in\mathbb{N}$ it is enough to consider the cases $N=1,2,\cdots,n,n+1$. ## 4\. Examples ### 4.1. Quivers with cycles at each vertex Let $Q$ be a quiver in which every vertex is part of some (nontrivial) cycle or loop. Then $\mathrm{eff.dim}_{\Bbbk}(\mathcal{P_{N}})=Nn$ for $\Bbbk$ uncountable or of characteristic 0. Proof: Let $x\in Q_{0}$. Then $l_{x}^{-}=l_{x}^{+}=\infty$ and hence $d_{x}=N$. Sum over all vertices. This result is similar to [MS, Theorem 31], but the set of fields $\Bbbk$ differ. ### 4.2. Quivers of type $A_{n}$ A quiver $Q$ is said to be of type $A_{n}$ if the underlying unoriented graph is the Dynkin diagram $A_{n}$. Let $Q$ be of type $A_{n}$ and let $(n_{1},n_{2},\cdots,n_{k})$ be the the number of vertices in the ordered segments. Then $\mathrm{eff.dim}_{\Bbbk}(\mathcal{P})=1+\sum_{N<n_{i}}(N(n_{i}+1-N)-1)+\sum_{n_{i}\leq N}(n_{i}-1).$ Proof: Because local dimensions $d_{x}$ only depend on maximal paths in and out of $x$, different ordered segments can be counted independently, if we subtract the overlaps. Thus we need only to consider the case when $Q$ has one ordered segment. For a quiver of type $A_{n}$ with only one ordered segment (with vertices from $\mathbf{1}$ to $\mathbf{n}$) the picture is as follows, when $N<n$. When $n\leq N$ each $V_{x}$ is one-dimensional. | ---|--- $\textstyle{\mathbf{1}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\cdots\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\mathbf{N}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\cdots\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\mathbf{n-(N-1)}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\cdots\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\mathbf{n}}$$\textstyle{V_{\mathbf{1}}^{(0)}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\cdots\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{V_{\mathbf{N}}^{(0)}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\cdots\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{V_{\mathbf{n-(N-1)}}^{(0)}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\cdots\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\cdots\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\cdots\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\cdots\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\cdots\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{V_{\mathbf{N}}^{(N-1)}}$$\textstyle{\cdots}$$\textstyle{V_{\mathbf{n-(N-1)}}^{(N-1)}}$$\textstyle{\cdots}$$\textstyle{V_{\mathbf{n}}^{(N-1)}}$ ## References * [MS] V. Mazorchuk, B. Steinberg. Effective dimension of finite semigroups. J. Pure Appl. Algebra 216 (2012), no. 12, 2737–2753. * [GR] Gabriel, P.; Roiter, A. V. Representations of finite-dimensional algebras. With a chapter by B. Keller. Springer-Verlag, Berlin, 1997. Department of Math., Uppsala University, Box 480, SE-751 06, Uppsala, Sweden; e-mail: [email protected]
arxiv-papers
2014-02-19T09:35:18
2024-09-04T02:49:58.428569
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Love Forsberg", "submitter": "Love Forsberg", "url": "https://arxiv.org/abs/1402.4601" }
1402.4602
# New Quantitative Deformation Lemma and New Mountain Pass Theorem Liang Ding1, 3, Fode Zhang2, and Shiqing Zhang1, 1Department of Mathematics and Yangtze Center of Mathematics, Sichuan University Chengdu 610064, People’s Republic of China 2Department of Mathematics Kunming University of Science and Technology Yunnan 650093, People’s Republic of China 3Department of Basis Education Dehong Vocational College Mangshi, Yunnan, 678400 People’s Republic of China Email: [email protected](Liang Ding), Email: [email protected](Fode Zhang)Corresponding author’s email: [email protected](Shiqing Zhang), Abstract In this paper, we obtain a new quantitative deformation Lemma so that we can obtain more critical points, especially for supinf critical value $c_{1}$, $x=\varphi^{-1}(c_{1})$ is a new critical point. For $infmax$ critical value $c_{2}$, we can obtain two new critical points $x=0$ (valley point) and $x=e$(peak point) ,comparing with Willem’s variant of the mountain pass theorem of Ambrosetti-Rabinowitz,in which $\varphi(e)\leq\varphi(0)<c_{2}$, but in our new mountain pass theorem, $\varphi(e)=c_{2}$. Key words Critical Points; Quantitative Deformation Lemma; Mountain Pass Lemma 2010 MR Subject Classification 47H10, 47J30, 39A10. ## 1 Introduction In 1973, Ambrosetti and Rabinowitz [1] presented the famous Mountain Pass Theorem. Later, there were many variants and generalizations([2]-[14]). Specially, Willem [11] gave the Quantitative Deformation Lemma and the corresponding mountain pass theorem. It is well known that quantitative deformation lemma is a very powerful tool to obtain mountain pass theorem, and the mountain pass theorem has proved to be a power tool in many areas of analysis. But to our best knowledge, very few works have been done for quantitative deformation lemma or mountain pass theorem in the past thirty years. In this paper, we extend the quantitative deformation lemma in [11] so that we can obtain more critical points, especially for supinf critical value $c_{1}$, $x=\varphi^{-1}(c_{1})$ is a new critical point. Moreover,as an application of our deformation lemma,a new mountain pass theorem is given. Comparing with the mountain pass type theorem in [11], $\varphi(e)\leq\varphi(0)<c_{2}$, but in our new mountain pass theorem, $\varphi(e)=c_{2}$, so that our new mountain pass theorem can not be obtained by the quantitative deformation lemma in [11];besides, in our theorem, if $\varphi$ satisfies $(PS)_{c_{2}}$ condition, we can obtain two new critical points $x=0$ (valley point) and $x=e$ (peak point). The organization of this paper is as following. In section $2$, the quantitative deformation lemma in [11] and the corresponding mountain pass theorem in [11] are given. In section $3$, on the basis of the quantitative deformation lemma in [11], we prove the new quantitative deformation lemma. In section $4$, as an application of our deformation lemma, our new mountain pass theorem is given. ## 2 Preliminaries For convenience, we introduce the Quantitative Deformation Lemma in [11] and the corresponding Mountain Pass Type Theorem in [11] as the following: ###### Lemma 2.1. (Quantitative deformation lemma) Let $X$ be a Hilbert space, $\varphi\in C^{2}(X,\mathbb{R})$, $c\in\mathbb{R}$, $\varepsilon>0$. Assume that $\big{(}\forall u\in\varphi^{-1}([c-2\varepsilon,c+2\varepsilon])\big{)}:\|\varphi^{\prime}(u)\|\geq 2\varepsilon.$ Then there exists $\eta\in$ $C(X,X)$, such that * $(a)$ $\eta(u)=u$, $\forall u\notin\varphi^{-1}\big{(}[c-2\varepsilon,c+2\varepsilon]\big{)}$. * $(b)$ $\eta(\varphi^{c+\varepsilon})\subset\varphi^{c-\varepsilon}$, where $\varphi^{c-\varepsilon}:=\varphi^{-1}\big{(}(-\infty,c-\varepsilon]\big{)}$. ###### Theorem 2.1. (Mountain pass type theorem) Let $X$ be a Hilbert space, $\varphi\in C^{2}(X,\mathbb{R})$, $e\in X$ and $r>0$ be such that $\|e\|>r$ and $\displaystyle b:=\inf_{\|u\|=r}\varphi(u)>\varphi(0)\geq\varphi(e).$ (2.1) Then, for each $\varepsilon>0$, there exists $u\in X$ such that * $(i)$ $c-2\varepsilon\leq\varphi(u)\leq c+2\varepsilon$, * $(ii)$ $\|\varphi^{\prime}(u)\|<2\varepsilon$, where $c:=\inf_{\gamma\in\Gamma}\max_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)}$ and $\Gamma:=\\{\gamma\in C\big{(}[0,1],X\big{)}:\gamma(0)=0,\gamma(1)=e\\}.$ ###### Definition 2.1. ([14])Let $X$ be a Banach space, $\varphi\in C^{1}(X,\mathbb{R})$ and $c\in\mathbb{R}$. The function $\varphi$ satisfies the $(PS)_{c}$ condition if any sequence $(u_{n})\subset X$ such that $\varphi(u_{n})\rightarrow c,\varphi^{\prime}(u_{n})\rightarrow 0$ has a convergent subsequence. ## 3 New Quantitative Deformation Lemma ###### Theorem 3.1. Let $X$ be a Hilbert space, $\varphi\in C^{2}(X,\mathbb{R})$, $c\in\mathbb{R}$, $\varepsilon>0$. Assume that $\displaystyle\big{(}\forall u\in\varphi^{-1}([c-2\varepsilon,c+2\varepsilon])\big{)}:\|\varphi^{\prime}(u)\|\geq 2\varepsilon.$ Then there exists $\eta\in$ $C(X,X)$, such that * $(a\,^{\prime})$ $\eta(u)=u$, $\forall u\notin\varphi^{-1}\big{(}[c-2\varepsilon,c+2\varepsilon]\big{)}\backslash D$, where $D\subseteq\varphi^{-1}\big{(}[c-0.5\varepsilon,c+\varepsilon]\big{)}$. * $(b\,^{\prime})$ $\eta\big{(}\varphi^{-1}[c-\varepsilon,c-0.6\varepsilon]\big{)}\subset\varphi_{*}^{c+\varepsilon}$, where $\varphi_{*}^{c+\varepsilon}$ denotes $\varphi^{-1}\big{(}[c+\varepsilon,+\infty)\big{)}$. * $(c\,^{\prime})$ $\eta\big{(}\varphi^{-1}[c+0.6\varepsilon,c+\varepsilon]\big{)}\subset\varphi^{c-\varepsilon}$, where $\varphi^{c-\varepsilon}$ denotes $\varphi^{-1}\big{(}(-\infty,c-\varepsilon]\big{)}$. ###### Proof. Let us define $\displaystyle A$ $\displaystyle:=\varphi^{-1}\big{(}[c-2\varepsilon,c+2\varepsilon]\big{)}\backslash D,$ $\displaystyle B$ $\displaystyle:=\varphi^{-1}\big{(}[c-\varepsilon,c-0.6\varepsilon]\big{)},$ $\displaystyle C$ $\displaystyle:=\varphi^{-1}\big{(}[c+0.6\varepsilon,c+\varepsilon]\big{)},$ $\displaystyle\psi(u)$ $\displaystyle:=\frac{[dist(u,C)-dist(u,B)]dist(u,X\backslash A)}{[dist(u,C)+dist(u,B)]dist(u,X\backslash A)+dist(u,B)dist(u,C)},$ so that $\psi$ is locally Lipschitz continuous, $\psi=1$ on $B$, $\psi=-1$ on $C$ and $\psi=0$ on $X\backslash$ $A$. Let us also define the locally Lipschitz continuous vector field $\displaystyle f(u)$ $\displaystyle:=$ $\displaystyle\psi(u)\|\nabla\varphi(u)\|^{-2}\nabla\varphi(u),\quad\ \ u\in A,$ $\displaystyle:=$ $\displaystyle 0,\quad\ \ u\in X\backslash A.$ It is clear that $\|f(u)\|\leq(2\varepsilon)^{-1}$ on $X$. For each $u\in$ $X$, the Cauchy problem $\displaystyle\frac{d}{dt}\sigma(t,u)$ $\displaystyle=$ $\displaystyle f\big{(}\sigma(t,u)\big{)},$ $\displaystyle\sigma(0,u)$ $\displaystyle=$ $\displaystyle u,$ has a unique solution $\sigma(\cdot,u)$ defined on $\mathbb{R}$. Moreover, $\sigma$ is continuous on $\mathbb{R}\times X$(see e.g. [15]). The map $\eta$ defined on $X$ by $\eta(u):=\sigma(2\varepsilon,u)$ satisfies $(a\,^{\prime})$. Since $\displaystyle\frac{d}{dt}\varphi\big{(}\sigma(t,u)\big{)}$ $\displaystyle=$ $\displaystyle\bigg{(}\nabla\varphi\big{(}\sigma(t,u)\big{)},\frac{d}{dt}\sigma(t,u)\bigg{)}$ (3.1) $\displaystyle=$ $\displaystyle\bigg{(}\nabla\varphi\big{(}\sigma(t,u)\big{)},f\big{(}\sigma(t,u)\big{)}\bigg{)}$ $\displaystyle=$ $\displaystyle\psi\big{(}\sigma(t,u)\big{)},$ If $\displaystyle\sigma(t,u)\in\varphi^{-1}\big{(}[c-\varepsilon,c-0.6\varepsilon]\big{)}=B,\quad\ \ \forall t\in[0,2\varepsilon],$ then $\psi(\sigma(t,u))=1.$ So, we obtain from (3.1), $\displaystyle\varphi\big{(}\sigma(2\varepsilon,u)\big{)}$ $\displaystyle=$ $\displaystyle\varphi(u)+\int_{0}^{2\varepsilon}\frac{d}{dt}\varphi\big{(}\sigma(t,u)\big{)}dt$ $\displaystyle=$ $\displaystyle\varphi(u)+\int_{0}^{2\varepsilon}\psi\big{(}\sigma(t,u)\big{)}dt$ $\displaystyle\geq$ $\displaystyle c-\varepsilon+2\varepsilon=c+\varepsilon,$ and $(b\,^{\prime})$ is also satisfied. Finally, similar to prove $(b\,^{\prime})$, we prove $(c\,^{\prime})$. If $\displaystyle\sigma(t,u)\in\varphi^{-1}\big{(}[c+0.6\varepsilon,c+\varepsilon]\big{)}=C,\quad\ \ \forall t\in[0,2\varepsilon],$ then $\psi(\sigma(t,u))=-1.$ So, we obtain from (3.1), $\displaystyle\varphi\big{(}\sigma(2\varepsilon,u)\big{)}$ $\displaystyle=$ $\displaystyle\varphi(u)+\int_{0}^{2\varepsilon}\frac{d}{dt}\varphi\big{(}\sigma(t,u)\big{)}dt$ $\displaystyle=$ $\displaystyle\varphi(u)+\int_{0}^{2\varepsilon}\psi\big{(}\sigma(t,u)\big{)}dt$ $\displaystyle\leq$ $\displaystyle c+\varepsilon-2\varepsilon=c-\varepsilon,$ and $(c\,^{\prime})$ is also satisfied. ###### Remark 3.1. By Theorem 3.1, we get more critical points than the Quantitative Deformation Lemma in [11]. All the domain $D$ in Theorem 3.1, especially for $supinf$ critical value $c$, $x=\varphi^{-1}(c)$ are all new critical points. ###### Remark 3.2. In Lemma $2.1$, there are two conclusions, but in Theorem 3.1, there are three conclusions. ## 4 An Example (New Mountain Pass Theorem) Let $X$ be a Hilbert space, $\varphi\in C^{2}(X,\mathbb{R})$, $e\in X$ and $r>0$ be such that $\|e\|>r$ and $\varphi(0)=c_{1},\quad\ \ \varphi(e)=c_{2},\quad\ \ c_{1}\neq c_{2},$ and $c_{1}:=\sup_{\gamma\in\Gamma}\min_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)},\,\,\,\,c_{2}:=\inf_{\gamma\in\Gamma}\max_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)},$ where $\Gamma:=\\{\gamma\in C\big{(}[0,1],X\big{)}:\gamma(\frac{1}{4})=0,\gamma(\frac{1}{2})=e\\}.$ Then, for each $\varepsilon>0$, there exists $u^{\ast}\in X$ and $u^{\triangle}\in X$ such that * $(\mathrm{I})$ $c_{1}-2\varepsilon\leq\varphi(u^{\ast})\leq c_{1}+2\varepsilon$, * $(\mathrm{II})$ $\|\varphi^{\prime}(u^{\ast})\|<2\varepsilon$. * $(\mathrm{III})$ $c_{2}-2\varepsilon\leq\varphi(u^{\triangle})\leq c_{2}+2\varepsilon$, * $(\mathrm{IV})$ $\|\varphi^{\prime}(u^{\triangle})\|<2\varepsilon$. ###### Proof. Obviously, for each $\varepsilon>0$, (I) and (III) are easy to get. Next, we prove (II) and (IV). Suppose that at least one of (II) and (IV) is not true. Then, we can get the contradiction: Case 1. We assume that (II) is not true. It means that there exists $\varepsilon$ such that $\|\varphi^{\prime}(u^{\ast})\|\geq 2\varepsilon.$ From $c_{1}:=\sup_{\gamma\in\Gamma}\min_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)},\,\,\,\,c_{2}:=\inf_{\gamma\in\Gamma}\max_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)},$ and $c_{1}\neq c_{2}$, we get $c_{1}<c_{2}$ or $c_{1}>c_{2}$. Then, Case 1 can be divided into two parts. Firstly, when $c_{1}<c_{2}$, let $\varepsilon_{1}=\min\\{\frac{c_{2}-c_{1}}{4},\,\varepsilon\\}$. It is clear that $\|\varphi^{\prime}(u^{\ast})\|\geq 2\varepsilon_{1}.$ and for $\varepsilon_{1}$, (I) is still easy to get. From $\varepsilon_{1}=\min\\{\frac{c_{2}-c_{1}}{4},\,\varepsilon\\}$, we obtain $c_{1}+2\varepsilon_{1}\leq c_{1}+2\times\frac{c_{2}-c_{1}}{4}=c_{1}+\frac{c_{2}-c_{1}}{2}=\frac{c_{2}}{2}+\frac{c_{1}}{2}<c_{2}.$ It means that $c_{2}>c_{1}+2\varepsilon_{1}.$ In Theorem 3.1, we can take $D=\\{u\in X\mid\varphi(u)=c_{1}\\}$. Consider $\beta=\eta\circ\gamma$, where $\eta$ is given by Theorem 3.1. Using $(a\,^{\prime})$, we have, $\displaystyle\beta(\frac{1}{4})$ $\displaystyle=$ $\displaystyle\eta\big{(}\gamma(\frac{1}{4})\big{)}=\eta(0)=0.$ $\displaystyle\beta(\frac{1}{2})$ $\displaystyle=$ $\displaystyle\eta\big{(}\gamma(\frac{1}{2})\big{)}=\eta(e)=e,$ so that $\beta\in\Gamma$. From $c_{1}:=\sup_{\gamma\in\Gamma}\min_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)},$ there exist $\gamma\in\Gamma$ and $\varepsilon_{2}>0$ such that $c_{1}-\varepsilon_{2}\leq\min_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)}\leq c_{1}-0.6\varepsilon_{2}.$ Then, from $(b\,^{\prime})$, we have $\min_{t\in[0,1]}\varphi\bigg{(}\eta\big{(}\gamma(t)\big{)}\bigg{)}\geq c_{1}+\varepsilon_{2}.$ It means that $\min_{t\in[0,1]}\varphi\big{(}\beta(t)\big{)}\geq c_{1}+\varepsilon_{2}.$ So $c_{1}+\varepsilon_{2}\leq\min_{t\in[0,1]}\varphi\big{(}\beta(t)\big{)}\leq c_{1}.$ This is a contradiction. Therefore, (II) is true. Secondly, when $c_{1}>c_{2}$, let $\varepsilon_{1}=\min\\{\frac{c_{1}-c_{2}}{4},\,\varepsilon\\}$. It is clear that $\|\varphi^{\prime}(u^{\ast})\|\geq 2\varepsilon_{1},$ and for $\varepsilon_{1}$, (I) is still easy to get. From $\varepsilon_{1}=\min\\{\frac{c_{1}-c_{2}}{4},\,\varepsilon\\}$, we obtain $c_{1}-2\varepsilon_{1}\geq c_{1}-2\times\frac{c_{1}-c_{2}}{4}=\frac{c_{1}}{2}+\frac{c_{2}}{2}>c_{2}.$ It means that $c_{2}<c_{1}-2\varepsilon_{1}.$ In Theorem 3.1, we can take $D=\\{u\in X\mid\varphi(u)=c_{1}\\}$. Consider $\beta=\eta\circ\gamma$, where $\eta$ is given by Theorem 3.1. Using $(a\,^{\prime})$, we have, $\displaystyle\beta(\frac{1}{4})$ $\displaystyle=$ $\displaystyle\eta\big{(}\gamma(\frac{1}{4})\big{)}=\eta(0)=0.$ $\displaystyle\beta(\frac{1}{2})$ $\displaystyle=$ $\displaystyle\eta\big{(}\gamma(\frac{1}{2})\big{)}=\eta(e)=e,$ so that $\beta\in\Gamma$. From $c_{1}:=\sup_{\gamma\in\Gamma}\min_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)},$ there exist $\gamma\in\Gamma$ and $\varepsilon_{2}>0$ such that $c_{1}-\varepsilon_{2}\leq\min_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)}\leq c_{1}-0.6\varepsilon_{2}.$ Then, from $(b\,^{\prime})$, we have $\min_{t\in[0,1]}\varphi\bigg{(}\eta\big{(}\gamma(t)\big{)}\bigg{)}\geq c_{1}+\varepsilon_{2}.$ It means that $\min_{t\in[0,1]}\varphi\big{(}\beta(t)\big{)}\geq c_{1}+\varepsilon_{2}.$ So $c_{1}+\varepsilon_{2}\leq\min_{t\in[0,1]}\varphi\big{(}\beta(t)\big{)}\leq c_{1}.$ This is a contradiction. Therefore, (II) is true. Case 2. We assume that (IV) is not true. It means that there exists $\varepsilon$ such that $\|\varphi^{\prime}(u^{\triangle})\|\geq 2\varepsilon.$ From $c_{1}:=\sup_{\gamma\in\Gamma}\min_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)},\,\,\,\,c_{2}:=\inf_{\gamma\in\Gamma}\max_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)},$ and $c_{1}\neq c_{2}$ we get $c_{1}<c_{2}$ or $c_{1}>c_{2}$. Then, Case 2 can be divided into two parts. Firstly, when $c_{1}<c_{2}$, let $\varepsilon_{1}=\min\\{\frac{c_{2}-c_{1}}{4},\,\varepsilon\\}$. It is clear that $\|\varphi^{\prime}(u^{\triangle})\|\geq 2\varepsilon_{1}.$ and for $\varepsilon_{1}$, (III) is still easy to get. From $\varepsilon_{1}=\min\\{\frac{c_{2}-c_{1}}{4},\,\varepsilon\\}$, we obtain $c_{2}-2\varepsilon_{1}\geq c_{2}-2\times\frac{c_{2}-c_{1}}{4}=c_{2}-\frac{c_{2}-c_{1}}{2}=\frac{c_{2}}{2}+\frac{c_{1}}{2}>c_{1}.$ It means that $c_{1}<c_{2}-2\varepsilon_{1}.$ In Theorem 3.1, we can take $D=\\{u\in X\mid\varphi(u)=c_{2}\\}$. Consider $\beta=\eta\circ\gamma$, where $\eta$ is given by Theorem 3.1. Using $(a\,^{\prime})$, we have, $\displaystyle\beta(\frac{1}{4})$ $\displaystyle=$ $\displaystyle\eta\big{(}\gamma(\frac{1}{4})\big{)}=\eta(0)=0.$ $\displaystyle\beta(\frac{1}{2})$ $\displaystyle=$ $\displaystyle\eta\big{(}\gamma(\frac{1}{2})\big{)}=\eta(e)=e,$ so that $\beta\in\Gamma$. From $c_{2}:=\inf_{\gamma\in\Gamma}\max_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)},$ there exist $\gamma\in\Gamma$ and $\varepsilon_{3}>0$ such that $c_{2}+0.6\varepsilon_{3}\leq\max_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)}\leq c_{2}+\varepsilon_{3}.$ Then, from $(c_{1}\,^{\prime})$, we have $\max_{t\in[0,1]}\varphi\bigg{(}\eta\big{(}\gamma(t)\big{)}\bigg{)}\leq c_{2}-\varepsilon_{3}.$ It means that $\max_{t\in[0,1]}\varphi\big{(}\beta(t)\big{)}\leq c_{2}-\varepsilon_{3}.$ So $c_{2}\leq\max_{t\in[0,1]}\varphi\big{(}\beta(t)\big{)}\leq c_{2}-\varepsilon_{3}.$ This is a contradiction. Therefore, (IV) is true. Secondly, when $c_{2}<c_{1}$, let $\varepsilon_{1}=\min\\{\frac{c_{1}-c_{2}}{4},\,\varepsilon\\}$ and take $D=\\{u\in X\mid\varphi(u)=c_{2}\\}$, the rest of the proof is similar to the first part of Case 2. Therefore, (IV) is true. From Case 1 and Case 2, our new mountain pass theorem is proved. ###### Remark 4.1. In Theorem 2.1 (Mountain pass theorem), $c$ is defined as $c:=\inf_{\gamma\in\Gamma}\max_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)}$ where $\Gamma:=\\{\gamma\in C\big{(}[0,1],X\big{)}:\gamma(0)=0,\gamma(1)=e\\}.$ But in our new mountain pass theorem, $c_{1}$ and $c_{2}$ are defined as $c_{1}:=\sup_{\gamma\in\Gamma}\min_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)},\quad\ \ c_{2}:=\inf_{\gamma\in\Gamma}\max_{t\in[0,1]}\varphi\big{(}\gamma(t)\big{)},$ where $\Gamma:=\\{\gamma\in C\big{(}[0,1],X\big{)}:\gamma(\frac{1}{4})=0,\gamma(\frac{1}{2})=e\\}.$ ###### Remark 4.2. In fact, in Theorem 2.1 (Mountain pass theorem), $c_{2}>\varphi(0)\geq\varphi(e).$ But in our new mountain pass theorem, $\varphi(0)=c_{1},\quad\ \ \varphi(e)=c_{2},\quad\ \ c_{1}\neq c_{2}.$ and in the proof of our new mountain pass theorem, we take $D=\\{u\in X\mid\varphi(u)=c_{1}\\}$ in Case 1, and take $D=\\{u\in X\mid\varphi(u)=c_{2}\\}$ in Case 2. ###### Remark 4.3. In the example, if we do not use our Theorem 3.1 (New quantitative deformation lemma), we can not obtain $\beta(\frac{1}{4})=\eta\big{(}\gamma(\frac{1}{4})\big{)}=\eta(0)=0.$ Moreover, we can not obtain $\beta\in\Gamma$. ###### Remark 4.4. An interesting point in the example is that, if $\varphi$ satisfies $(PS)_{c}$ condition, it is easy to obtain two new critical points $x=0$ and $x=e$ which have not been obtained before. ## References * [1] A. Ambrosetti and P.H. Rabinowitz, Dual variational methods in critical point theory and applications, J. Funct. Anal. 14 (1973), 349-381. * [2] G. Barletta and S.A. Marano, Some remarks on critical point theory for locally Lipschitz functions, Glasgow Math. J. 45 (2003), 131-141. * [3] H. Brezis, J.M. Coron and L. Nirenberg, Free vibrations for a nonlinear wave equation and theorem of P. Rabinowitz, Comm. Pure Appl. Math, 33 (1980), 667-684. * [4] K.C.,Chang, Infinite dimensional Morse theory,Birkhäuser, 1993. * [5] N. Ghoussoub, Duality and Perturbation Methods in Critical Point Theory, Cambridge Tracts in Math. 107, Cambridge Univ. Press, Cambridge, 1993. * [6] H. Hofer, A geometric description of the neighbourhood of a critical point given by the Mountain Pass Theorem, J. London Math. Soc. 31 (1985), 566-570. * [7] I. Peral, Beyond the mountain pass: some applications. Adv. Nonlinear Stud. 12 (2012), no. 4, 819-850 * [8] P. Pucci and J. Serrin, A Mountain Pass Theorem, J. Differential Equations 60 (1985), 142-149. * [9] P. Pucci and J. Serrin, Extensions of the Mountain Pass Theorem, J. Funct. Anal. 59 (1984), 185-210. * [10] P. Pucci, J. Serrin, The structure of the critical set in the mountain pass theorem, Trans. Amer. Math. Soc. 299, (1987), no. 1, 115-132.“ * [11] M. Willem, Minimax Theorems, Birkhäuser,Boston, 1996. * [12] R. Livrea and S.A. Marano, Existence and classification of critical points for nondifferentiable functions, Adv. Differential Equations 9 (2004), 961-978. * [13] S.A. Marano and D. Motreanu, A deformation theorem and some critical points results for non- differentiable functions, Topol. Methods Nonlinear Anal. 22 (2003), 139-158. * [14] P.H. Rabinowitz, Minimax Methods in Critical Point Theory with Applications to Differential Equations, CBMS Reg. Conf. Ser. Math. 65, Amer. Math. Soc., Providence, RI, 1986\. * [15] Schwartz L., Cours $d^{,}$analyse, Hermann, Paris, 1991-1994.
arxiv-papers
2014-02-19T09:38:11
2024-09-04T02:49:58.436957
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Liang Ding and Fode Zhang and Shiqing Zhang", "submitter": "Shiqing Zhang", "url": "https://arxiv.org/abs/1402.4602" }
1402.4630
# New Periodic Solutions for Second Order Hamiltonian Systems with Local Lipschitz Potentials Li Bingyu and Li Fengying and Zhang Shiqing $\begin{array}[]{c}{\rm MathematicalDepartment,SichuanUniversity,Chengdu610064,China}\\\ {\rm(DedicatedtotheMemoryofProfessorShiShuzhong)}\end{array}$ Abstract Firstly,we generalize the classical Palais-Smale-Cerami condition for $C^{1}$ functional to the local Lipschitz case,then generalize the famous Benci-Rabinowitz’s and Rabinowitz’s Saddle Point Theorems with classical Cerami-Palais-Smale condition to the local Lipschitz functional, then we apply these Theorems to study the existence of new periodic solutions for second order Hamiltonian systems with local Lipschitz potentials which are weaker than Rabinowitz’s original conditions .The key point of our proof is proving Cerami-Palais-Smale condition for local Lipschitz case,which is difficult since no smooth and symmetry for the potential. Key Words: Second order Hamiltonian systems, Cerami-Palais-Smale condition for local Lipschitz functional,Periodic solutions, Saddle Point Theorems. 2000 Mathematical Subject Classification: 34C15, 34C25, 58F. ## 1\. Introduction In the critical point theory,the compactness condition is a key for proving the existence of critical points for some functionals.In 1964,R.Palais and S.Smale [13]introduced the famous $(PS)_{c}$ condition: Definition 1.1 Let $X$ is a Banach space, $f\in C^{1}(X,R)$, if $\\{x_{n}\\}\subset X$ s.t. $f(x_{n})\rightarrow c,$ $f^{\prime}(x_{n})\rightarrow 0,$ and $\\{x_{n}\\}$ has a strongly convergent subsequence, then we say $f$ satisfies $(PS)_{c}$ condition. In 1978,Cerami[4] presented a weaker compactness condition than the above classical $(PS)_{c}$ condition: Definition 1.2 Let $X$ be a Banach space, $\Phi$ be defined on $X$ is Gateaux- differentiable, if the sequence $\\{x_{n}\\}\subset X$ such that $\Phi(x_{n})\rightarrow c,$ $(1+\|x_{n}\|)\|\Phi^{{}^{\prime}}(x_{n})\|\rightarrow 0,$ then $\\{x_{n}\\}$ has a strongly convergent subsequence in $X$. Then we call $f$ satisfies $(CPS)_{c}$ condition in $X$. For the functional $f(x)$ in locally Lipschitz functional space $C^{1-0}(X,R)$,Clarke [6] define the generalized gradient $\partial f(x)$ which is the subset of $X^{*}$ defined by $\partial f(x)=\\{x^{*}\in X^{*}|\langle x^{*},v\rangle\leq f^{0}(x,v),\forall v\in X\\},$ where $f^{0}(x,v)=\lim_{y\rightarrow x,\lambda\downarrow 0}sup\frac{f(y+\lambda v)-f(y)}{\lambda}.$ In 1981,K.C.Chang[5] introduced the (PS) condition for locally Lipschitz function: Definition 1.3 Let $X$ is a Banach space, $f\in C^{1-0}(X,R)$, if $\\{x_{n}\\}\subset X$ s.t.$f(x_{n})$ is bounded and $min_{x^{*}\in\partial f(x_{n})}||x^{*}||\rightarrow 0,$ and $\\{x_{n}\\}$ has a strongly convergent subsequence, then we say $f$ satisfies $(PSC)$ condition. if $\\{x_{n}\\}\subset X$ s.t.$f(x_{n})\rightarrow c$ and $min_{x^{*}\in\partial f(x_{n})}||x^{*}||\rightarrow 0,$ and $\\{x_{n}\\}$ has a strongly convergent subsequence, then we say $f$ satisfies $(PSC)_{c}$ condition. Ekeland [8],Ghoussoub-Preiss[9] used Ekeland’s variational principle to prove Lemma1.1Let $X$ be a Banach space, suppose that $\Phi$ defined on $X$ is Gateaux-differentiable and lower semi-continuous and bounded from below.Then there is a sequence $\\{x_{n}\\}$ such that $\Phi(x_{n})\rightarrow\inf\Phi$ $(1+\|x_{n}\|)\|\Phi^{{}^{\prime}}(x_{n})\|\rightarrow 0.$ Motivated by the above Definitions and Lemma,we introduce the following (CPS)-type condition for the locally Lipschitz functional: Definition 1.4 Let $X$ is a Banach space, $f\in C^{1-0}(X,R)$, we say $f$ satisfies $(CPSC)_{c}$ condition if $\\{x_{n}\\}\subset X$ s.t. $f(x_{n})\rightarrow c,$ $(1+||x_{n}||)min_{x^{*}\in\partial f(x_{n})}||x^{*}||\rightarrow 0,$ then $\\{x_{n}\\}$ has a strongly convergent subsequence. K.C.Chang[5] and Shi S.Z.[16] use the $(PSC)$ condition for the local Lipschitz functional to generalize the classical Mountain Pass Lemma[2] and general minimax Theorems[12]. Here we can generalize the classical Benci- Rabinowitz’s and Rabinowitz’s Saddle Point Theorems to the local Lipschitz functional cases with the Cerami-Palais-Smale-Chang-type conditions: Theorem1.1 Let $X$ be a Banach space, $f\in C^{1-0}(X,R)$. Let $X=X_{1}\bigoplus X_{2},\rm{dim}X_{1}<+\infty$,$X_{2}$ is closed in $X$. Let $\displaystyle B_{a}=\\{x\in X|\|x\|\leq a\\},$ $\displaystyle S=\partial B_{\rho}\cap X_{2},\rho>0,$ $\displaystyle Q$ $\displaystyle=$ $\displaystyle\\{x_{1}+se|(x_{1},s)\in X_{1}\times R^{1},\|x_{1}\|\leq r_{1},0\leq s\leq r_{2},r_{2}>\rho\\},$ $\displaystyle\partial Q=(B_{r_{1}}\cap X_{1})\cup\partial\\{x_{1}\bigoplus se,\|x_{1}\|\leq r_{1},0<s\leq r_{2}\\},$ where $e\in X_{2},\|e\|=1$. If $f|_{S}\geq\alpha,$ and $f|_{\partial Q}\leq\beta<\alpha.$ Then $c=\inf\limits_{\phi\in\Gamma}\sup\limits_{x\in Q}f(\phi(x))\geq\alpha$ ,if $f(q)$ satisfies $(CPSC)_{c}$ ,then $c$ is a critical value for $f$. Theorem1.2 Let $X$ be a Banach space and let $f\in C^{1-0}(X,R)$, let $X=X_{1}\bigoplus X_{2}$ with $\rm{dim}X_{1}<+\infty$ and $\sup\limits_{S^{1}_{R}}f<\inf\limits_{X_{2}}f,$ where $S^{1}_{R}=\\{u\in X_{1}||u|=R\\}$. Let $B^{1}_{R}=\\{u\in X_{1},|u|\leq R\\},M=\\{g\in C(B^{1}_{R},X)|g(s)=s$, $s\in S^{1}_{R}\\}$ $c=\inf\limits_{g\in M}\max\limits_{s\in B_{R}^{1}}(g(s)).$ Then $c\geq\inf\limits_{X_{2}}f$, if $f$ satisfies $(CPSC)_{c}$ condition, then $c$ is a critical value of $f$. In 1978, Rabinowitz [14] firstly used mini-max methods with the classical Palais-Smale condition to study the periodic solutions for second order Hamiltonian systems with the super-quadratic potential: $\ddot{q}+V^{\prime}(q)=0$ (1.1) He proved that Theorem 1.3([14]) Suppose $V$ satisfies $(V_{1})\ V\in C^{1}(R^{n},R)$ $(V_{2})$ There exist constants $\mu>2,r_{0}>0$ such that $0<\mu V(x)\leq V^{\prime}(x)\cdot x,\ \ \ \ \forall|x|\geq r_{0},$ $(V_{3})\ V(x)\geq 0,\ \ \ \ \forall x\in R^{n},$ $(V_{4})\ V(x)=o(|x|^{2}),$ as $|x|\rightarrow 0$. Then for any $T>0,$ (1.1) has a non-constant $T$-periodic solution. In the last 30 years, there were many works for (1.1), we can refer ([3]-[12],[15,17] etc.), and the references there. In this paper, we try to generalize the result of Rabinowitz to local Lipschitz potential, we get the following Theorem: Theorem 1.4 Suppose $V$ satisfies $(V1)\ V\in C^{1-0}(R^{n},R);$ $(V2)$ There exist constants ${\mu}_{1}>2,\mu_{2}\in R$ such that $\langle y,x\rangle\geq\mu_{1}V(x)+\mu_{2},\ \ \ \ \forall x\in R^{n},y\in\partial V(x);$ $(V3)$ There are $a_{1}>0,a_{2}\in R$ such that $V(x)\geq a_{1}|x|^{\mu_{1}}+a_{2},\ \ \ \ \forall x\in R^{n},$ $(V4)$ $0\leq V(x)\leq A|x|^{2},|x|\rightarrow 0.$ Then for any $T<(\frac{2}{A})^{1/2}\pi,$ the following system $0\in\ddot{q}+\partial V(q)$ (1.2) has at least one non-zero $T$-periodic solution. For sub-quadratic second order Hamiltonian system,we can get Theorem 1.5 Suppose $V$ satisfies $(V1)\ V\in C^{1-0}(R^{n},R);$ $(V2^{\prime})$ There exist constants ${\mu}_{1}<2,\mu_{2}\in R$ such that $\langle y,x\rangle\leq\mu_{1}V(x)+\mu_{2},\ \ \ \ \forall x\in R^{n},y\in\partial V(x);$ $(V3^{\prime})$ $V(x)\rightarrow+\infty,|x|\rightarrow+\infty;$ $(V4^{\prime})$ $V(x)\leq A|x|^{2}+a.$ Then for any $T<(\frac{2}{A})^{1/2}\pi,$ (1.2) has at least one $T$-periodic solution. ## 2\. Some Lemmas In order to prove Theorem 1.1, we define functional: $f(q)=\frac{1}{2}\int^{T}_{0}|\dot{q}|^{2}dt-\int^{T}_{0}V(q)dt,\ \ \ \ \forall q\in H^{1}$ (2.1) where $H^{1}=W^{1,2}(R/TZ,R^{n}).$ (2.2) Lemma 2.1([6]) Let $\widetilde{q}\in H^{1}$ be such that $\partial f(\widetilde{q})=0.$ Then $\widetilde{q}(t)$ is a $T$-periodic solution for (1.2). Lemma2.2(Sobolev-Rellich-Kondrachov, Compact Imbedding Theorem [1]) $W^{1,2}(R/TZ,R^{n})\subset C(R/TZ,R^{n})$ and the imbedding is compact. Lemma 2.3(Eberlein-Shmulyan [18]) A Banach space $X$ is reflexive if and only if any bounded sequence in $X$ has a weakly convergent subsequence. Lemma 2.4([11],[19]) Let $q\in W^{1,2}(R/TZ,R^{n})$ and $q(0)=q(T)=0$ We have Friedrics-Poincare’s inequality: $\int^{T}_{0}|\dot{q}(t)|^{2}dt\geq\left(\frac{\pi}{T}\right)^{2}\int^{T}_{0}|q(t)|^{2}dt.$ Let $q\in W^{1,2}(R/TZ,R^{n})$ and $\int^{T}_{0}q(t)dt=0,$ then (i) We have Poincare-Wirtinger’s inequality $\int^{T}_{0}|\dot{q}(t)|^{2}dt\geq\left(\frac{2\pi}{T}\right)^{2}\int^{T}_{0}|q(t)|^{2}dt$ (ii) We have Sobolev’s inequality $\max_{0\leq t\leq T}|q(t)|=\|q\|_{\infty}\leq\sqrt{\frac{T}{12}}\left(\int^{T}_{0}|\dot{q}(t)|^{2}dt\right)^{1/2}$ We define the equivalent norm in $H^{1}=W^{1,2}(R/TZ,R^{n})$ $\|q\|_{H^{1}}=\left(\int^{T}_{0}|\dot{q}|^{2}dt\right)^{1/2}+|q(0)|$ Shi Shuzhong[16] generalized the classical Mini-max Theorems including Benci- Rabinowitz’s Generalized Mountain-Pass Lemma and Rabinowitz’s Saddle Point Theorem to the local Lipschitz functionals with Chang’s compactness condition: Lemma 2.5 Let $X$ be a Banach space, $f\in C^{1-0}(X,R)$. Let $X=X_{1}\bigoplus X_{2},\rm{dim}X_{1}<+\infty$,$X_{2}$ is closed in $X$.Let $\displaystyle B_{a}=\\{x\in X|\|x\|\leq a\\},$ $\displaystyle S=\partial B_{\rho}\cap X_{2},\rho>0,$ $\displaystyle Q$ $\displaystyle=$ $\displaystyle\\{x_{1}+se|(x_{1},s)\in X_{1}\times R^{1},\|x_{1}\|\leq r_{1},0\leq s\leq r_{2},r_{2}>\rho\\},$ $\displaystyle\partial Q=(B_{r_{1}}\cap X_{1})\cup\partial\\{x_{1}\bigoplus se,\|x_{1}\|\leq r_{1},0<s\leq r_{2}\\},$ where $e\in X_{2},\|e\|=1$.If $f|_{S}\geq\alpha,$ and $f|_{\partial Q}\leq\beta<\alpha,$ Then $c=\inf\limits_{\phi\in\Gamma}\sup\limits_{x\in Q}f(\phi(x))\geq\alpha$ ,if $f(q)$ satisfies $(PSC)_{c}$ ,then $c$ is a critical value for $f$. Lemma 2.6 Let $X$ be a Banach space and let $f\in C^{1}(X,R)$, let $X=X_{1}\bigoplus X_{2}$ with $\rm{dim}X_{1}<+\infty$ and $\sup\limits_{S^{1}_{R}}f<\inf\limits_{X_{2}}f,$ where $S^{1}_{R}=\\{u\in X_{1}||u|=R\\}$. Let $B^{1}_{R}=\\{u\in X_{1},|u|\leq R\\},M=\\{g\in C(B^{1}_{R},X)|g(s)=s$, $s\in S^{1}_{R}\\}$ $c=\inf\limits_{g\in M}\max\limits_{s\in B_{R}^{1}}(g(s))$ Then $c\geq\inf\limits_{X_{2}}f$, if $f$ satisfies $(PSC)_{c}$ condition, then $c$ is a critical value of $f$. Lemma 2.7 Let $X$ be a Banach space, suppose that $F$ defined on $X$ is local Lipschitz functional and lower semi-continuous and bounded from below.Then $\forall\epsilon_{n}\downarrow 0$, there is a sequence $\\{g_{n}\\}$ such that $F(g_{n})\rightarrow\inf F,$ $(1+\|g_{n}\|)F^{0}(g_{n},h)|\geq-\epsilon_{n}\|h\|.$ Proof Applying Ekeland’s variational principle ([7,8]),we can get a sequence $g_{n}$ such that $F(g_{n})\leq\inf F+\epsilon_{n}^{2},$ $F(g)\geq F(g_{n})-\epsilon_{n}\delta(g,g_{n}).$ Let $g=g_{n}+th,t>0,h\in X$,then we have $F(g_{n}+th)-F(g_{n})\geq-\epsilon_{n}\delta(g_{n}+th,g_{n}),$ where $\delta$ is the geodesic distance. $F(g_{n}+th)-F(g_{n})\geq-\epsilon_{n}\int_{0}^{t}\frac{||h||ds}{1+||g_{n}+sh||},$ then $\frac{1}{t}F(g_{n}+th)-F(g_{n})\geq-\epsilon_{n}\frac{1}{t}\int_{0}^{t}\frac{||h||ds}{1+||g_{n}+sh||},$ let $t\rightarrow 0$,we have $F^{0}(g_{n},h)\geq\lim_{t\rightarrow 0}\frac{1}{t}(F(g_{n}+th)-F(g_{n}))$ $\geq-\epsilon_{n}\lim_{t\rightarrow 0}\frac{1}{t}\int_{0}^{t}\frac{||h||ds}{1+||g_{n}+sh||}$ $=-\epsilon_{n}||h||(1+||g_{n}||)^{-1}.$ ## 3\. The Proof of Theorems 1.1,1.2,1.4 and 1.5 By Lemma 2.7 and similar arguments of Shi Shuzhong [16],we can prove Theorem 1.1 and 1.2. Lemma 3.1 If $(V1)-(V3)$ in Theorem 1.4 hold, then $f(q)$ satisfies the $(Cerami-Palais-Smale-Chang)$ condition on $H^{1}$. Proof Let $\\{q_{n}\\}\subset H^{1}$ satisfy $f(q_{n})\rightarrow c,\ \ \ \ (1+||q_{n}||)min_{x^{*}\in\partial f(q_{n})}||x^{*}||\rightarrow 0,$ (3.1) Then we claim $\\{q_{n}\\}$ is bounded. In fact,by $f(q_{n})\rightarrow c$, we have $\frac{1}{2}\|\dot{q}_{n}\|^{2}_{L^{2}}-\int^{T}_{0}V(q_{n})dt\rightarrow c$ (3.2) By the definition ,we have $<\partial f(q_{n}),q_{n}>=\|\dot{q}_{n}\|^{2}_{L^{2}}-\int^{T}_{0}(<\partial V(q_{n}),q_{n}>)dt$ By $(V2)$,for any $v\in\partial V(q_{n})$,we have $\displaystyle\|\dot{q}_{n}\|^{2}_{L^{2}}-\int^{T}_{0}<v,q_{n}>dt\leq\|\dot{q}_{n}\|^{2}_{L^{2}}-\int^{T}_{0}[\mu_{2}+\mu_{1}V(q_{n})]dt$ (3.3) By (3.2) and (3.3), $\forall x^{*}\in\partial f(q_{n})$,we have $\displaystyle<x^{*},q_{n}>$ $\displaystyle\leq$ $\displaystyle a\|\dot{q_{n}}\|^{2}_{L^{2}}+C_{1}+\delta,n\rightarrow+\infty,$ (3.4) where $C_{1}=c\mu_{1}-T\mu_{2}+\delta,\delta>0,a=1-\frac{\mu_{1}}{2}<0.$ By the above inequality (3.4) and (3.1),we have $\|\dot{q}_{n}\|_{L^{2}}\leq M_{1}$. Then we claim $|q_{n}(0)|$ is also bounded. Otherwise, there a subsequence, still denoted by $q_{n}$, s.t. $|q_{n}(0)|\rightarrow+\infty$,since $\|\dot{q}_{n}\|\leq M_{1}$,then $\displaystyle\min_{0\leq t\leq 1}|q_{n}(t)|$ $\displaystyle\geq$ $\displaystyle|q_{n}(0)|-\|\dot{q}_{n}\|_{2}\rightarrow+\infty,\rm{as}\ n\rightarrow+\infty$ (3.5) We notice that $\displaystyle\langle\partial f(q_{n}),q_{n}\rangle=\int^{T}_{0}[|\dot{q}_{n}|^{2}dt-\langle\partial V(q_{n}),q_{n}\rangle]dt$ (3.6) $\displaystyle=2f(q_{n})+\int_{0}^{T}[2V(q_{n})-\langle\partial V(q_{n}),q_{n}\rangle]dt$ (3.7) By $(V2)-(V3)$,$\forall y\in\partial V(x)$ we have $\langle y,x\rangle-2V(x)\geq(\mu_{1}-2)V+\mu_{2}\rightarrow+\infty,|x|\rightarrow+\infty$ By (3.1) and (3.7),we get a contradiction,so $\|q_{n}\|=\|\dot{q}_{n}\|_{L^{2}}+|q_{n}(0)|$ is bounded. By the embedding theorem, $\\{q_{n}\\}$ has a weakly convergent subsequence which uniformly converges to $q\in H^{1}$. Furthermore, by $V\in C^{1-0}$ and the $w^{*}-upper$ semi-continuity, it’s standard step for the rest proof that the weakly convergent subsequence is also strongly convergent to $q\in H^{1}$. Now we prove Theorem 1.4. In Theorem1.1, we take $X_{1}=R^{n},X_{2}=\\{q\in W^{1,2}(R/TZ,R^{n}),\int^{T}_{0}q(t)dt=0\\}$ $S=\left\\{q\in X_{2}|\left(\int^{T}_{0}|\dot{q}|^{2}dt\right)^{1/2}=\rho>0\right\\},$ $\partial Q=\\{x_{1}\in R^{n}||x_{1}|\leq r_{1}\\}\cup$ $\left\\{q=x_{1}+se,x_{1}\in R^{n},e\in X_{2},\|e\|=1,s>0,\|q\|=(r_{1}^{2}+r_{2}^{2})^{1/2}>\rho\right\\}.$ When $q\in X_{2}$,by Sobolev’s inequality,$\int^{T}_{0}|\dot{q}|^{2}dt\rightarrow 0$ implies $max|q(t)|\rightarrow 0$.So when$\int^{T}_{0}|\dot{q}|^{2}dt\rightarrow 0$ , $(V4)$ implies $V(q)\leq A|q|^{2}$ When $q\in X_{2}$,we have Poincare-Wirtinger inequality, so when $\rho=[\int^{T}_{0}|\dot{q}|^{2}dt]^{\frac{1}{2}}\rightarrow 0$ We have $f(q)\geq\frac{1}{2}\int^{T}_{0}|\dot{q}|^{2}dt-A\int^{T}_{0}|q|^{2}dt$ $\geq[\frac{1}{2}-A(2\pi)^{-2}T^{2}]\rho^{2},$ On the other hand, if $q\in X_{1}$,and we take $|x_{1}|\leq r_{1}$ very small, then by $(V_{4})$, we have $f(q)=-\int^{T}_{0}V(q)dt\leq 0,|q|\rightarrow 0.$ If $q\in\left\\{q=x_{1}+se,x_{1}\in R^{n},e\in X_{2},\|e\|=1,s>0,\|q\|=(|x_{1}|^{2}+s^{2})^{1/2}=R=(r_{1}^{2}+r_{2}^{2})^{1/2}>\rho\right\\},$ then by $(V3)$ and Jensen’s inequality,we have $f(q)=\frac{1}{2}s^{2}-\int^{T}_{0}V(x_{1}+se)dt$ $\leq\frac{1}{2}s^{2}-\int^{T}_{0}(a|x_{1}+se|^{\mu_{1}}+b)dt$ $\leq\frac{1}{2}s^{2}-[aT^{1-\frac{\mu_{1}}{2}}(\int^{T}_{0}|x_{1}+se|^{2}dt)^{\frac{\mu_{1}}{2}}+bT]$ $=\frac{1}{2}s^{2}-aT^{1-\frac{\mu_{1}}{2}}[T|x_{1}|^{2}+s^{2}\int^{T}_{0}|e(t)|^{2}dt]^{\frac{\mu_{1}}{2}}-bT$ Notice that we can take $r_{2}$ large enough,then $(|x_{1}|^{2}+s^{2})^{1/2}=R=(r_{1}^{2}+r_{2}^{2})^{1/2}$ is large enough,then $|x_{1}|$ or $s$ must be large,so $T|x_{1}|^{2}+s^{2}\int^{T}_{0}|e(t)|^{2}dt$ must be large since $\int^{T}_{0}|e(t)|^{2}>0$, so that in such case $f(q)<0.$ The rest of the proof for Theorem 1.4 is obvious. Using Theorem 1.2 and similar methods for proving Theorem 1.4,we can prove Theorem 1.5,here we omit it ## Acknowledgements The author Zhang Shiqing sincerely thank the supports of NSF of China and the Grant for the Advisors of Ph.D students. ## References * [1] R.A.Adams and J.F.Fournier, Sobolev spaces, Second edition, Academic Press, 2003. * [2] A.Ambrosetti and P.Rabinowitz,Dual variational methods in critical point theory and applications,J.Funct. Anal.14(1973),349-381. * [3] V.Benci and P.Rabinowitz,Critical point theorem for indefinite functionals,Inv.Math.52(1979),241-273. * [4] Cerami G.,Un criterio di esistenza per i punti critici so variete illimitate, Rend. dell academia di sc.lombardo112(1978),332-336. * [5] K.C.Chang, Variational methods for non-differentiable functionals and their applications to partial differential equations,JMAA 80(1981),102-129. * [6] Clarke,F.H.,Optimization and nonsmooth analysis,Wiley-Interscience,New York,1983. * [7] I.Ekeland,On the variational principle,JMAA 47(1974),324-353. * [8] I.Ekeland, Convexity Methods in Hamiltonian Mechanics, Springer, 1990. * [9] N.Ghoussoub, D.Preiss, A general mountain pass principle for locating and clasifying critical points, Ann. Inst. Henri Poincare Anal. NonLineaire 6(1984), 321-330. * [10] Y.Long, Index theory for symplectic paths with applications, Birkhauser Verlag, 2002. * [11] J. Mawhin and M.Willem, Critical point theory and Hamiltonian system, Springer, Berlin ,1989. * [12] L.Nirenberg,Variational and toplogical methods in nonlinear problems,Bull.AMS,New Series 4(1981),267-302. * [13] Palais,R. and Smale S.,A generalized Morse theory,Bull.AMS 70(1964),165-171. * [14] P.H.Rabinowitz, Periodic solutions of Hamiltonian systems, Comm. Pure Appl. Math. 31(1978), 157-184. * [15] P.H.Rabinowitz, Minimax methods in critical point theory with applications to differential equations, CBMS Reg. Conf. Ser. in Math. 65, AMS, 1986. * [16] Shuzhong Shi,Ekeland variational principle and Mountain Pass Lemma,Acta Math.Sinica,New Series 1(1985),348-355. * [17] M.Struwe,Variational methods, Springer, Berlin, 1990\. * [18] K.Yosida, Functional analysis, 5th ed., Springer, Berlin, 1978. * [19] W.P.,Ziemer,Weakly differentiable functions,Springer,1989.
arxiv-papers
2014-02-19T11:58:44
2024-09-04T02:49:58.444097
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Li Bingyu and Li Fengying and Zhang Shiqing", "submitter": "Shiqing Zhang", "url": "https://arxiv.org/abs/1402.4630" }
1402.4701
# Contiguous $3d-$ and $4f-$magnetism: towards strongly correlated $3d-$electrons in YbFe2Al10 P. Khuntia Max Planck Institute for Chemical Physics of Solids, 01187 Dresden, Germany P. Peratheepan Highly Correlated Matter Research Group, Physics Department, University of Johannesburg, P.O. Box 524, Auckland Park 2006, South Africa Department of Physics, Eastern University, Vantharumoolai, Chenkalady 30350, Sri Lanka A. Strydom Max Planck Institute for Chemical Physics of Solids, 01187 Dresden, Germany Highly Correlated Matter Research Group, Physics Department, University of Johannesburg, P.O. Box 524, Auckland Park 2006, South Africa Y. Utsumi Max Planck Institute for Chemical Physics of Solids, 01187 Dresden, Germany K.-T. Ko Max Planck POSTECH Center for Complex Phase Materials, 01187 Dresden, Germany and Pohang 790-784, Korea K.-D. Tsuei National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu 30077, Taiwan L. H. Tjeng Max Planck Institute for Chemical Physics of Solids, 01187 Dresden, Germany F. Steglich Max Planck Institute for Chemical Physics of Solids, 01187 Dresden, Germany M. Baenitz Max Planck Institute for Chemical Physics of Solids, 01187 Dresden, Germany ([; date; date; date; date) ###### Abstract We present magnetization, specific heat, and 27Al NMR investigations on YbFe2Al10 over a wide range in temperature and magnetic field. The magnetic susceptibility at low temperatures is strongly enhanced at weak magnetic fields, accompanied by a $\ \ln(T_{0}/T)$ divergence of the low$-T$ specific heat coefficient in zero field, which indicates a ground state of correlated electrons. From our hard X-ray photoemission spectroscopy (HAXPES) study, the Yb valence at 50 K is evaluated to be 2.38. The system displays valence fluctuating behavior in the low to intermediate temperature range, whereas above 400 K, Yb3+ carries a full and stable moment, and Fe carries a moment of about 3.1 $\mu_{B}.$ The enhanced value of the Sommerfeld Wilson ratio and the dynamic scaling of spin-lattice relaxation rate divided by T $\ [^{27}$($1/T_{1}T)]$ with static susceptibility suggests admixed ferromagnetic correlations. 27($1/T_{1}T)$ simultaneously tracks the valence fluctuations from the 4f -Yb ions in the high temperature range and field dependent antiferromagnetic correlations among partially Kondo screened Fe 3d moments at low temperature, the latter evolve out of an Yb 4f admixed conduction band. NFL, NMR, Spin Fluctuations, QCP. ###### pacs: 71.27.+a, 74.40.Kb, 76.60.-k, 76.60.Es, 71.10.Hf ††preprint: APS/123-QED year number number identifier Date text]date LABEL:FirstPage1 LABEL:LastPage#12 Novel phases ranging from unconventional superconductivity and spin liquid to quantum criticality in correlated electron systems result from competing interactions between magnetic, charge, orbital and lattice degrees of freedom SS ; FS . Competing interactions such as the mostly antiferromagnetic (AFM) Rudermann-Kittel-Kasuya-Yosida (RKKY) exchange and the Kondo effect on a localized spin may lead to a magnetic instability which generates unusual temperature ($T$) and magnetic field ($H$) scaling behavior of bulk and microscopic observables. The competing magnetic interactions frequently produce generalized non-Fermi liquid (nFL) scaling in the thermal behavior of physical properties. If the RKKY spin exchange succeeds in overcoming the thermal energy of the spin system conducive to a paramagnetic-to-AFM transition, the addition of a competing Kondo spin exchange with the conduction electrons achieves a curbing effect on the phase transition. Moreover, under favorable conditions such as applied pressure or magnetic field the phase transition may become confined to temperatures arbitrarily close to zero, which in turn leads to remarkable thermal scaling in the realm of quantum criticalityRMP1 ; RMP2 ; LH ; MB ; QS . In exceptional cases quantum criticality presents itself under ambient conditions, such as in U2Pt2In ams96 ; estrela99 or in the superconductor $\beta-$YbAlB4 SN . Quantum criticality stemming from ferromagnetic exchange on the other hand is a rare occurrence, and has been discussed among $5f-$electron systems such as UGe2 SSC ; HK or UCoGeES ; TH , $4f$ systems like YbNi${}_{4}($P1-xAsx)2 RS1 ; AS , Ce(Ru1-xFex)POSK1 ; SK2 , and in weak itinerant ferromagnets like ZrZn2 PRS and NbFe2 MB2 . YFe2Al10, an isostructural version of YbFe2Al10 with no $4f-$electrons, is reported to be a plausible candidate for a FM quantum critical magnetPK ; AM ; per10 ; KP ; str13 . The ternary orthorhombic aluminides of $RM_{2}$Al10 type ($R=$rare earth element, $M=$Fe, Ru, Os) have been the subject of considerable debate in view of a fascinating conundrum of physical properties. Most notable are the extremes of magnetic interactions found in the Ce series ranging from unprecedently high AFM order at $27~{}$K in CeRu2Al10 CS ; SC ; AM1 ; DD to the Kondo insulating state in CeFe2Al10 YM . In the present study to further unravel the nature of the $3d-$electrons in this class of material, we assess the response of Fe-based magnetism in the presence of localized magnetism, namely the rare earth element Yb, and we use a combination of bulk and microscopic probes due to the anticipated complexity of an admixture of different types of magnetic exchange. A comparable situation can be found in CeFe2Al10 in which the confluence of the two types of magnetic species has the surprising effect of producing the non-magnetic Kondo insulating state YM , which is an extreme case of local-moment hybridization with the conduction electrons. Recently, there has been a resurgence of research activities in intermediate valence systems following the discovery of superconductivity and quantum critical behavior in an intermediate valence (IV) heavy fermion $\beta-$YbAlB4SW ; DTA ; SP ; SN ; PC ; MO ; PC1 ; LMH ; WS . In this Letter, we present comprehensive magnetic susceptibility, specific heat, and 27Al NMR investigations on polycrystalline YbFe2Al10. Furthermore, hard X-ray photoemission spectroscopy (HAXPES) at SPring-8, Japan was carried out as a direct probe of the valence state of Yb. Magnetic susceptibility and specific heat display low temperature divergences, yet without any signature of magnetic ordering down to $0.35~{}$K. In order to understand the low energy spin dynamics governing the underlying magnetism of the title compound, we have carried out NMR investigations with special attention to the spin-lattice relaxation measurements. The low field spin-lattice relaxation rate shows a divergence towards low temperatures, which is consistent with magnetization and specific heat data. The observed deviations from the FL behavior is associated with correlated $3d$ Fe moments strongly coupled via the conduction band, which is hybridized with the Yb derived 4$\mathit{f}$ states. Polycrystalline samples of YbFe2Al10 have been sythesized following a method discussed elsewhereAM ; AM1 . The dc magnetic susceptibility $\chi(T)$ (=$M(T)/H)$ and thermopower data were obtained using a QD PPMS. In a recent work, a Kondo-like electrical resistivity accompanied by divergences in magnetic susceptibility, $\chi(T)$ and the Sommerfeld coefficient $\gamma$($T$) = Cp(T)/T (where Cp($T$) is the electronic specific heat) in zero field were reported per10 on YbFe2Al10. The magnetism of Yb in this compound was demonstrated PKSS to be subject to an unstable valence and to recover its full trivalent state at $T$ $>$ 400 K, which is in agreement with earlier reportsMV . Shown in Fig. 1 (a) is the field dependent magnetic susceptibility, $\chi(T)$ of YbFe2Al10. The values of $\chi(T)$ are enhanced by one order of magnitude in comparison with the non-$4f$ electron homologue YFe2Al10 PK , which indicates a strong hybridization of the Yb derived $4f$ states with the conduction electron states. A modified band structure is therefore expected with subsequent effects on the itinerant $3d$ magnetism of Fe. Towards elevated temperatures, Yb tends to reach its full trivalent state and this temperature-driven evolution is appropriately reflected in the thermopower $S(T)$ i.e., by a broad peak centered at $T$* ($\approx$100 K) (see Fig. 1(d)), which we use to denote the temperature scale of the valence change of Yb. Such a peak in thermopower is typical for IV Yb compounds, and our HAXPES study on YbFe2Al10 confirmed such an IV state of Yb in this compound and valence of Yb is evaluated to be 2.38 (see Supplemental Material for more details). At the high temperature end, the consequence of this peak is played out by a change in the sign of $S(T)$ at about $300~{}$K, which likely implies a temperature-driven change in the relative weights and participation of both holes and electrons in the underlying bandstructure. This could also be due to the asymmetry of the density of states (DOS) or the scattering rate at the Fermi energy for a single band. However, the negative sign in $S(T)$ of YbFe2Al10 signals stable and local-moment magnetic character of Yb above 300 K, because S($T$) native to the weakly hybridized $4f^{13+\delta}$ state of Yb is expected to be negative beh04 . The small upturn in S($T$) below 10 K is consistent with the incoherent Kondo like restistivity $\rho(T)$per10 . A peak in $\rho(T)$ at T $\simeq$ 4.5 K (see Supplemental) is reminiscent of Kondo-lattice behaviorper10 .The Kondo type upturn in $\rho(T)$ as well as the low$-T$ divergence in $\chi(T)$ is quenched by applying magnetic fields of a few teslas. The initial susceptibility $\chi(H\rightarrow 0)$ at $2~{}$K as well as the high-field magnetization $M(H)$ yield extremely small values of the magnetic moment in YbFe2Al10. Following a weak curvature in the M($H$) in low fields, there is however no saturation achieved in $M(H)$ at $2~{}K$ even up to 7 T , Fig. 1(c), where a quasi-linear in field magnetization is found. Figure 1: (Color online) Temperature dependence of $\chi$ in various applied magnetic fields (b) $1/\chi$ _vs_. $T$ at $0.1~{}$T with Curie-Weiss fits. (c) Magnetization isotherm at $2~{}$K and the inset shows the $\chi^{-1}$ vs. T in 5 kOe and 10 kOe with Curie Weiss fit as discussed in the text (d) Temperature dependence of thermopower. A detailed analysis of $\chi(T)$ (see Fig 1b) reveals an intermediate valence (IV) state of Yb at low and intermediate temperatures, but Yb recovers its full moment (4.54 $\mu_{B}$) with a high spin state Fe (3.1 $\mu_{B}$) at $T>$400 K with predominant AFM correlations. A similar scenario has been discussed in the IV Yb-based skutterudites YbFe4Sb12 sch05 and YbFe4P12AY . The deconvolution of the Fe$-3d$ contribution and the more localized Yb$-4f$ contribution is a daunting task and beyond the scope of this manuscript. Nonetheless, based on the model of RajanVTR , for the Yb$-4f$ part a constant and $T$-independent susceptibility could be expected towards low temperatures. The HAXPES measurement performed with h$\upsilon$=6.5 keV at 50 K confirms the IV state of Yb with valence 2.38 (see Supplemental). Therefore, we assume that the magnetism below 50 K is solely driven by the Fe 3$d$ moments in YbFe2Al10 and we speculate that the Curie-Weiss behavior of $\chi(T)$ in the intermediate temperature range 80$\leq$T$\leq$370 K is associated to Fe-3d moments with an effective moment of 3.1/$\sqrt{2}$= 2.2 $\mu_{B}.$This is in contrast to its non-4$f$ analog YFe2Al10 where Fe carries a much smaller magnetic moment of 0.35 $\mu_{B}$ per FePK ; KP . This might be related to the difference in charge transfer from the divalent Yb2+ to the Fe2Al10 host lattice in comparision to the trivalent Y3+. The Curie-Weiss behavior of $\chi(T)$ at $T\leq$10 K (see Fig. 1(c) inset) reveals a small Fe moment 0.89/$\sqrt{2}$=0.63 $\mu_{B}$ per Fe in YbFe2Al${}_{10}.$ The Weiss temperature of $\theta\simeq$ –2 K yields an on-site Kondo temperature of the Fe moments, which amounts to several KelvinsAH . Shown in Fig. 2(a) is the specific heat coefficient $\gamma$($T$) in different magnetic fields measured using the 3He option of QD PPMS. The specific heat coefficient ($\gamma)$ is enhanced towards low temperatures and follows a $\ln(T_{0}/T)$ behavior with $T_{0}$= 2 K in zero field, which suggests a correlated behavior of electrons. This may be attributed to entropy of unquenched spin degrees of freedom, or to impending cooperative behavior at much lower temperatures. Applied magnetic fields achieve a suppression and eventual saturation into a constant value of $C_{\mathrm{p}}/T$ and thus the recovery of the Fermi liquid ground state. The ratio of the enhanced $\gamma_{0}$ value at zero field to the fully quenched value $\gamma_{\mathrm{H}}$ in $9~{}$T at $0.35~{}$K is about $2.5$. Surprisingly, this enhancement factor is qualitatively similar to that of the non-$4f$ compound YFe2Al10 PKSS . Despite the fact that the relative enhancements $\Delta\gamma/\gamma_{H}=(\gamma_{0}-\gamma_{H})/\gamma_{H}$ are similar, it should be mentioned that the $T$ dependencies of Cp/$T$ are dissimilar: (ln($T_{\mathit{0}}$/$T$) for YbFe2Al10 and power law behavior in case of YFe2Al10). For YbFe2Al10 the magnetic entropy (0.014Rln2) below 2 K is about three times larger than its non-4f counter part YFe2Al10ESR . Therefore, we relate the low-temperature divergence of the Sommerfeld coefficient to the emergence of correlations among Fe moments amplified by the strong hybridization between Yb$-4f$ states and $s+d$ conduction band states at the Fermi level. The field dependence of the Sommerfeld coefficient at $0.5~{}$K follows a $H^{-0.35}$ behavior (Fig. 2b), and the transition to a constant in temperature regime provides the crossover scale between FL and nFL behavior (inset of Fig. 2b). Figure 2: (Color online) (a) Temperature dependence of specific heat coefficients taken in different applied magnetic fields. The solid line is a fit to $\ln(T_{0}/T)$ with T0 = 2 K. (b) $C_{\mathrm{P}}(T)/T$ _vs._ $\mu_{0}H$ at $0.5~{}$ and $2~{}$K, with solid line is a fit to H-0.35. The inset shows the field dependence of the cross over temperature (to FL behavior) obtained from $C_{\mathrm{P}}(T)/T$. The residual quenched Sommerfeld coefficient of $\gamma_{H}$ = 75.3 mJ/mol K2 in YbFe2Al10 exceeds that of the La equivalent YM by a factor $\sim 3$, which indicates that the Fermi level in YbFe2Al10 is occupied predominantly by heavy charge carriers. An enhanced value of the Sommerfeld-Wilson ratio $R_{\mathrm{W}}=\pi^{2}k_{\mathrm{B}}^{2}/\mu_{0}\mu_{\mathrm{eff}}(\chi/\gamma)\approx 12$ at $2~{}$K indicates the presence of FM correlations. It is worth to mention that there is a striking similarity of YbFe2Al10 specific heat data shown in Fig. 2a to those of $\beta-$YbAlB4 SN , which is a rare example of an IV system with local moment low-T electron correlationsLMH . Another prominent example in that context is the IV metal YbAl3ZF . 27Al-NMR ($I=5/2$) measurements have been performed using a standard _Tecmag_ NMR spectrometer in the temperature range $1.8\leq T\leq 300~{}$K and in the field range $0.98\leq\mu_{0}H\leq 7.27~{}$T. The orthorhombic crystal structure of YbFe2Al10 hosts five inequivalent Al sites. Usually this results in rather broad NMR spectra with a clear central transition and superimposed first order satellite transitions. Surprisingly, we found a rather well- resolved central transition with a small field dependent anisotropy, which implies that the different Al sites are rather equal in their magnetic environmentPK ; PKSS . Figure 3: (Color online) 27Al NMR spectra at $80~{}$MHz for different temperatures.The inset shows the simulation of the $4.3~{}$K spectra. The sharp central transition enables us to perform 27Al spin-lattice relaxation rate (SLRR) measurements consistently following saturation recovery method with suitable _rf_ pulses and the results are shown in Fig.4. The relaxation rate divided by $T$, _i.e._ $1/T_{1}~{}T$, shows a divergence towards low temperatures (Fig. 4a) with a proportionality $\chi(T)/\sqrt{T}$ in the lowest magnetic fields. Such a dynamic scaling is frequently found in heavy fermion systems with AFM correlations and even with admixed FM correlations like in CeFePO DC ; NB ; MB1 . In addition, the relative change $\left[(\gamma_{0}-\gamma_{\mathrm{H}})/\gamma_{\mathrm{H}}\right]^{2}=1.7$ underestimates the SLRR enhancement found in the experiment ($\simeq 4.6$). The stronger enhancement in the SLRR points towards the presence of dominant $q=0$ contributions, as a response to FM correlations. Usually the specific heat is more sensitive to finite $q$ excitations which explains the difference in the enhancement factors. In contrast with the discrepancy in the $T$ enhancement, the field dependence of the SLRR is in agreement with the Fermi liquid theory exhibiting $1/T_{1}T\sim(C/T)^{2}\sim\gamma^{2}$ behavior. Here a power law $H^{-0.35}$ is found for the Sommerfeld coefficient which implies a power law $H^{-0.7}$ for the SLRR. This field dependence is indeed found for the SLRR at $2.5~{}$K (see Fig. 4b with $\mathit{H}^{-0.77}$), which is further supported by $1/T_{1}T\sim\chi^{2}$ behavior commonly found in local- moment metals and is in contrast to that observed in YFe2Al10 PK . Independent of the magnetic field a peak (Fig.4a) in the SLRR at $T^{\ast}$($\simeq$100 K) signals the onset of valence fluctuations in the SLRR of the Al nuclei at high temperature. In general the SLRR probes the $q-$averaged low lying excitations in the spin fluctuation spectra and $1/T_{1}T$ can be expressed as; $\frac{1}{T_{1}T}\propto\sum_{q}\mid A_{hf}(q)\mid^{2}\frac{\chi^{\prime\prime}(q,\omega_{n})}{\omega_{n}}$ ,where $A_{hf}(q)$ is the $q-$dependent form factor of the hyperfine interactions and $\chi^{\prime\prime}(q,\omega_{n})$ is the imaginary part of dynamic electron spin susceptibility TM ; YK . In the presence of $q-$isotropic $4f$ fluctuations of IV Yb coexisting with $q=0$ FM $3d$ correlations, the SLRR could be approximated by $\frac{1}{T_{1}T}\simeq A_{hf}{}^{2}\chi_{0}\left[\tau_{3d}+\tau_{4f}\right]$, where $\tau_{4f}(=1/\Gamma_{\mathrm{4f}}$) is the effective fluctuation time of the $4f$ ion, $\tau_{3d}(=1/\Gamma_{\mathrm{3}\mathit{d}}$ ) is the effective fluctuation time of the $3d$ ion ($\Gamma_{4f},_{3d}$ are corresponding dynamic relaxation rates), and $\chi_{0}$ is the uniform bulk suceptibility. It has to be mentioned that in case of large valence variations (like in Eu systems where the valence could vary between 2+ and 3+) the electronic structure may be perturbed which changes $A_{\mathrm{hf}}$, but we omit this detail for YbFe2Al10 and assume that $A_{\mathrm{hf}}$ is not varying with temperature. Figure 4: (Color online) (a)27($1/T_{1}T$ ) _vs._ $T$ in different applied magnetic fields. The solid line is the calculated value as discussed in the text. (b) The field dependence of 27($1/T_{1}T)$ at 2.5 K with a fit to H-0.77.(c) The temperature dependence of $\tau_{4f}$ at 7.27 T. The beauty of these results is that 27 Al NMR simultaneously senses the valence fluctuations from the 4$\mathit{f}$\- Yb ions in the high temperature range and the low temperature field dependent Kondo-like correlations associated to the 3$\mathit{d}$\- Fe ions. Upon the application of high magnetic fields these fluctuations are quenched (here $\tau_{3d}\ll$ $\tau_{4f}$ for entire temperature range). Therefore, the relaxation rate at 7.27 T allows for the determination of the effective fluctuation time $\tau_{4f}=1/\Gamma_{4f},$which is plotted as a function of temperature in Fig. 4(c). The step like change of $\tau_{4f}$ at about 100 K signals more a charge gap scenario (like in Kondo insulators) than an intermediate valence system with a smooth variation in $\tau_{4f}$. With the knowledge of the T dependent (but not $\mathit{H}$-dependent) relaxation time $\tau_{4f},$ we now proceed to fit the 1/$T_{1}T$ vs. $T$ results in low magnetic field. Surprisingly, the assumption of $\tau_{3d}=1/\sqrt{T}\propto\chi$ results in a very good agreement with the experimental data (red line in Fig. 4(a)), which also explains the 27(1/$T_{1}T$)$\propto\chi^{2}$ behavior at $T\rightarrow$0 limit. With this approach we have convincingly shown that NMR is able to probe both energy regimes; i) the high-temperature IV regime where $\Gamma_{\mathrm{4f}}$ is changing strongly and ii) the low-T regime where $\Gamma_{\mathrm{4f}}$ is constant and $\Gamma_{\mathrm{3d}}$ shows a local moment behavior with $\Gamma_{\mathrm{3d}}\propto\sqrt{T}$. In conclusion, we have found an unexpected localization of Fe-derived 3$d$ states upon cooling YbFe2Al10 to helium temperatures. As in this material the Yb-derived 4$f$ electrons form a non-magnetic, intermediate-valent state at low temperatures (with Yb valence 2.38), the observed Kondo-lattice behavior has to be attributed to the localized 3$d$ electrons. Because of the low on- site Kondo scale of $\mathit{T}_{0}$ $\approx$ 2 K, one would expect the 3$d$ magnetic moments to be subject to some kind of long-range orderingMI . However, this appears to be avoided, at least above 0.4 K, by a competition between ferro- and antiferromagnetic correlations, which have been inferred from a strongly enhanced Sommerfeld Wilson ratio on the one hand and the field dependencies of the specific heat and spin-lattice relaxation rate on the other. We thank C. Geibel, A. P. Mackenzie, H. Yasuoka, M. C. Aronson, M. Brando, and M. Garst for fruitful discussions. We thank C. Klausnitzer for technical support concerning specific heat measurements. We thank the DFG for financial support (project OE-511/1-1). 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Lett. 101, 117206 (2008). * (51) T. Moriya, Spin Fluctuations in Itinerant Electron Magnetism (Springer-Verlag: Berlin, 1985). * (52) Y. Kuramoto and Y. Kitaoka, Dynamics of Heavy Electrons (Oxford, 2000). * (53) V.Yu. Irkhin and M.I. Katsnelson, Phys. Rev. B 56, 8109 (1997). SUPPLEMENTAL MATERIALS ## .1 I. Magnetic susceptibility The temperature dependence of the dc magnetic susceptibility $\chi$($T$) was measured in different magnetic fields in the temperature range 1.8$\leq T\leq 300$ K using Quantum Design (QD) SQUID magnetometer. In addition, measurements up to 800 K were carried out using the SQUID-Vibrating Sample Magnetometer. The Curie-Weiss (CW) fit of the inverse magnetic susceptibility 1/$\chi$($T$) in the temperature range 80 $\leq T\leq$ 370 K yields an effective Fe moment of $\mu_{3d}$ =3.1/$\sqrt{2=}$ 2.2 $\mu_{B}$ whereas the CW fit in the high temperature range 400 $\leq$ $T\leq$ 800 K results in an effective moment of 6.3 $\mu_{B}$ which is too large to assign to Yb3+ exclusively (Fig. 1b of the manuscript). This is due to the combined role of Fe and Yb magnetic moments on the underlying magnetism of this system. Hence we associate this net magnetic moment to arise from two Fe (two identical octahedral sites occupied by Fe in the lattice) and one Yb moments. This scenario is most likely in view of the intermediate valence state of Yb in YbFe2Al10, which is confirmed by more definitive probe for valence transition i.e., HAXPES and the results are discussed in the following section. The negative values of the Weiss temperatures obtained from the CW fit in both temperature ranges suggest the dominant antiferromagnetic correlationsPK1 ; VMT . The observed magnetic susceptibility is strikingly different from the recently reported non-4$\mathit{f}$ homologue critical ferromagnet YFe2Al10 PK2 . In addition the CW fit of the magnetic susceptibility data in the $T\leq$ 10K unveil a very low Weiss temp, $\theta_{CW}\simeq$ – 2 K, which signals an on-site Kondo screening between Fe 3$\mathit{d}$ moment with Kondo temperature of a few Kelvin. Furthermore, an evaluation of the stability of the FM phenomena in YFe2Al10 revealed that the quantum criticality found in YFe2Al10 is not pliant with small variation in the Fe contentAMS1 . So the present compound YbFe2Al10 offers a fertile ground to study the low temperature correlation among 3$\mathit{d}$ Fe along with high temperature fluctuations due to 4$\mathit{f}$ Yb moments. ## .2 II. Electrical resistivity The temperature dependence of resistivity $\rho$($T$) in YbFe2Al10 was obtained in the temperature range 1.8$\leq T\leq 50$ K in three applied magnetic fields for the first sample and in an extended temperature down to 0.4 K in zero field and 9T for the second sample. The magnetic contributions to the resistivity were obtained by subtracting the resistivity of LaRu2Al10 as a non magnetic reference. The resulting normalized [ $\rho$($T$)/$\rho(40K)]$ data are shown in Fig.5. The $\rho$(T)/$\rho(40K)$ data exhibits a logarithmic divergence in the intermediate temperature regime and passes through a maximum at about 4.5 K and decreases at low temperature.The crossover from incoherent Kondo scattering to coherent Kondo scattering behavior of the resistivity below 4.5 K can be interpreted in the framework of the Kondo impurity model with $\mathit{S}$ = 1/2DR ; TAC ; TAC2 . Figure 5: (Color online) (a) Temperature dependence of $\rho$(T)/$\rho(40K)$ in various applied magnetic fields for sample 1. (b) Temperature dependence of $\rho$(T)/$\rho(40K)$ in various applied magnetic fields for sample 2. The field dependence of electrical resistivity is consistent with the interpretation of Costi for dilute magnetic alloysTAC ; TAC2 ; WF and could be explained as well in good agreement with our experimental data. The observed behavior in resistivity is reminiscent of a Kondo-lattice behavior and therefore clearly evidences the presence of strong electron correlations among Fe ($\mathit{S}$ = 1/2) moments at low temperatures. These results are consistent with magnetic susceptibility data wherein the low temperature admixed FM correlations are dominated by Fe moments and Yb displays an intermediate valence state. ## .3 III. Specific heat As a further measure of the low temperature correlations, specific heat studies on polycrystalline samples have been performed in various applied fields in the temperature range 0.35 $\leq T\leq$ 10 K using the 3He option of QD PPMS. It may be noted that in high magnetic fields $C_{p}$($T$)/$T$ slightly increases at very low temperature, which is attributed to the high temperature part of the nuclear Schottky contributions. This part could be described as $C_{N}$=$\beta$/$T^{2}$ (where $\beta$ depends on magnetic field), which appears because of the Zeeman interaction and the electric field gradient at the nuclear site responsible for lifting the degeneracy of the nuclear energy levels. The nuclear Schottky contributions to the specific heats in magnetic fields are subtractedESR1 and the resulting plot is shown in Fig. 2a in the manuscript. ## .4 IV. 27Al (I = 5/2) Nuclear Magnetic Resonance (NMR) 27Al-NMR ($I=5/2$) spectra and spin-lattice relaxation measurements have been performed using a standard _Tecmag_ NMR spectrometer in the temperature range $1.8\leq T\leq 300~{}$K and in the field range $0.98\leq\mu_{0}H\leq 7.27~{}$T. YbFe2Al10 hosts five inequivalent Al sites but different Al sites are rather equal in their magnetic environment, which are very similar to our previous NMR results on the structural homologue YFe2Al10PK . There are no sharp features assigned to the first order quadrupolar transitions and no appreciable shift observed in the 27Al-NMR line (Fig. 3 of the manuscript), but instead a broadening of the central transition with decreasing temperatures is found. The line width (FWHM) increases with decreasing temperature and scales with the bulk susceptibility yielding a Curie-Weiss like behavior. At the lowest $T$ and in small magnetic fields the scaling of FWHM with $\chi(T)$ breaks down, which is in-line with the expected behavior at the onset of electronic correlations. Furthermore, the narrow central transition evidences high purity of the sample studied here and indicates the absence of onsite disorder and Al-Fe site exchange. The recoveries of longitudinal magnetization at time $\mathit{t}$, $\mathit{M}_{z}$($\mathit{t}$) after the saturation pulse in the temperature and field range of the present investigation were fitted with a single component appropriate for $\mathit{I}$= 5/2 nuclei 1-$\mathit{M}_{\mathit{z}}$($\mathit{t}$)/$\mathit{M}$($\infty$) =0.0291e${}^{-t/T_{1}}$+0.178e${}^{-6t/T_{1}}$+0.794e${}^{-15t/T_{1}},$where M($\infty$) is the equilibrium magnetizationPK2 ; AN . ## .5 V. Hard x-ray photoemission spectroscopy(HAXPES) In order to gain further insights into the electronic states and to determine the valence state of Yb in YbFe2Al10, hard x-ray photoemission spectroscopy (HAXPES) with $h\nu=6.5$ keV were performed at BL12XU of SPring-8, Japan. The HAXPES spectra were taken by using a hemispherical analyzer (MB Scientific A1-HE) and the overall energy resolution was set to about 0.2 eV. Clean surface of the sample was obtained by fracturing in situ and the spectra were measured at 50 K. The binding energy of the spectra was calibrated by the Fermi edge of a gold film. Figure 6: Wide scan of YbFe2Al10 measured at 50 K. No O 1$s$ and C 1$s$ were observed. A full-range energy HAXPES spectrum of YbFe2Al10 revealing the well-resolved three elemental contributions from the title compound is shown in Fig. 6. We note the absence of any extraneous contributions such as oxygen or elemental carbon. Figure 7: Yb 3$d$ spectrum of YbFe2Al10 measured at 50 K. The Al $1s$ peak with its plasmon peaks are also indicated. Figure 7 depicts the Yb $3d$ spectra of YbFe2Al10 measured at 50 K. The Yb 3$d$ spectrum is split into 3$d_{5/2}$ region at 1515-1540 eV and 3$d_{3/2}$ region at 1565-1580 eV due to the spin-orbit interaction. A strong Al 1$s$ peak can be observed around 1560 eV and its plasmon peaks are visible at 16.3 eV higher binding energies and multiples thereof. Figure 8: The Yb 3$d_{5/2}$ spectra of YbFe2Al10 measured at 50 K and its simulation consisting of the Yb2+ and Yb3+ $3d_{5/2}$ multiplets and their plasmon satellites as well as an integral backgound. Figure 8 shows in more detail the Yb $3d_{5/2}$ spectra of YbFe2Al10 measured at 50 K. Here, we will evaluate only the 3$d_{5/2}$ part of the Yb 3$d$ spectra because the tail of the enormous Al 1$s$ peak and its plasmon structure are overlapping with the 3$d_{3/2}$ region. The Yb2+ component is observed as a prominent peak at 1520 eV and the Yb3+ component shows up at 1525-1535 eV as a multiplet structure arising from the Coulomb interaction between the 3$d$ and 4$f$ holes in the electronic configuration of the 3$d^{9}4f^{13}$ final states. The structures at higher binding energies can be attributed to the plasmon satellites of these Yb core levels. Coexistence of the Yb2+ and Yb3+ structures indicates directly the intermediate valence states of Yb in YbFe2Al10. To extract a number for the Yb valence in YbFe2Al10 we performed a simulation of the spectrum by taking into account not only the Yb3+ line and the Yb2+ multiplet structure, but also their respective plasmon satellites, the relative intensities and energy positions of which were calibrated using the Al 1$s$ and its plasmons. Including also the standard integral background, we were able to obtain a satisfactory simulation of the experimental spectrum, see Fig.8. The Yb valence is then estimated to be 2.38. We note that a similar HAXPES study was performed recently on the quantum critical intermediate valent compound $\beta$-YbAlB4 by M. Okawa et alMOX . There, the much higher prevalence of the magnetic Yb3+ state is consistent with the heavy fermion ground state in $\beta$-YbAlB4, whereas in YbFe2Al10 the Yb3+ is found to play a much more subdued role. *[email protected] ## References * (1) P. Khuntia et al., Phys. Status Solidi B 250, 525 (2013). * (2) V. M. T. Thiede et al., J. Mater. Chem. 8, 125 (1998). * (3) P. Khuntia et al., Phys. Rev. B 86, 220401(R) (2012). * (4) A.M.Strydom et al., Phys. Status Solidi B 250, 630 (2013). * (5) D. R Hamann, Phys. Rev. 158, 570 (1967). * (6) T. A. Costi, Phys. Rev. Lett. 85, 1504 (2000). * (7) T. A. Costi, A. C. Hewson, and V. Zlatic, J. Phys. Condens. Matter 6, 2519 (1994). * (8) W. Felsch and K. Winzer, Solid State Commun. 13, 569 (1973). * (9) E. S. R. Gopal, Specific Heat at Low Temperatures (Plenum Press, New York, 1966). * (10) A. Narath, Phys. Rev. 162, 320 (1967). * (11) M. Okawa et al., Phys. Rev. Lett. 104, 247201(2010).
arxiv-papers
2014-02-19T15:35:22
2024-09-04T02:49:58.457401
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "P. Khuntia, P. Peratheepan, A. Strydom, Y. Utsumi, K.-T. Ko, K.-D.\n Tsuei, L. H. Tjeng, F. Steglich, and M. Baenitz", "submitter": "Panchanan Khuntia", "url": "https://arxiv.org/abs/1402.4701" }
1402.5083
# Fully Three-dimensional Simulation and Modeling of a Dense Plasma Focus B. T. Meehan, J. H. J. Niederhaus B. T. Meehan is with National Security Technologies, LLC, a Department of Energy Contractor, e-mail: [email protected]. H. J. Niederhaus is a Computer Scientist at Sandia National Laboratories, email: [email protected] received December 1, 2012; revised January 11, 2013. ###### Abstract A Dense Plasma Focus (DPF) is a pulsed-power machine that electromagnetically accelerates and cylindrically compresses a shocked plasma in a Z-pinch. The pinch results in a brief ($\sim$100 nanosecond) pulse of X-rays, and, for some working gases, also a pulse of neutrons. A great deal of experimental research has been done into the physics of DPF reactions, and there exist mathematical models describing its behavior during the different time phases of the reaction. Two of the phases, known as the inverse pinch and the rundown, are approximately governed by magnetohydrodynamics, and there are a number of well-established codes for simulating these phases in two dimensions or in three dimensions under the assumption of axial symmetry. There has been little success, however, in developing fully three-dimensional simulations. In this work we present three-dimensional simulations of DPF reactions and demonstrate that 3D simulations predict qualitatively and quantitatively different behavior than their 2D counterparts. One of the most important quantities to predict is the time duration between the formation of the gas shock and Z-pinch, and the 3D simulations more faithfully represent experimental results for this time duration and are essential for accurate prediction of future experiments. ###### Index Terms: Dense Plasma Focus, Magnetohydrodynamics, Simulation and Modeling, Controlled Fusion ## I Introduction There is an extensive literature on experiments performed with Dense Plasma Focus (DPF) machines, exploring both fundamental Z-pinch physics [1, 2, 3] and applications of the DPF to fields like X-ray lithography [4], fusion energy [5], and modeling of astrophysics [6], to name a few. The vast majority of research has been driven by theory and experimentation, but there is a shift towards developing new experiments informed by computational models and simulations. Many of the simulations that have been used to design DPF experiments are 1-dimensional, in the sense that current, temperature, or expected neutron yield are computed as a function of a single parameter being varied [7]. There has also been work to develop codes that are capable of full magnetohydrodynamic (MHD) modeling of the inverse pinch and run-down phases of the DPF reaction on spatial domains (see Section II for descriptions of the reaction phases), and there exist 2D simulations modeling the physics of the DPF, which are often extended to 3D assuming axial symmetry [8]. Despite some success with 1D and 2D simulations, fully 3D simulations of the MHD phases of the DPF – which do not impose symmetry on the physics of the reaction – are difficult, and the literature presenting the results of such simulations is sparse. There are a number of challenges in the 3D modeling, including the computational complexity of the problem, a need for appropriate initial conditions to ignite the inverse pinch, insufficient equation of state (EOS) data for the working gas and the electrodes, and incorporating radiative effects into the MHD model. In a DPF, a working gas is charged, forming a plasma, that travels down an anode surrounded by a cathode, and the speed that the plasma shock travels down the anode is determined by the initial pressure and voltage in the system. The Z-pinch occurs when the plasma shock gets to the end of the anode. The energy available to the Z-pinch is maximized when the current through the DPF is maximized, which means that the rundown time is one of the most important quantities to properly simulate. If simulations correctly predict rundown for a given initial pressure and voltage configuration, those settings can be used in actual experimentation ensuring that the Z-pinch occurs with maximum energy, which in turn results in maximum neutron yield. The neutron yield can be determined experimentally using a Beryllium activation detector [9] (for deuterium fusion), or a Praseodymium activation detector [10] (for deuterium-tritium fusion). Further, when deuterium, or deuterium-tritium mixtures are used as a fill gas, the neutron yield has a power-law relationship [11] with the maximum current, which means that it is also important to be able to faithfully simulate the maximum current. For these reasons, most of our analysis centers on comparing experimentally-measured current waveforms to the simulated current waveform. In this work, we present simulation results of a fully 3D MHD model of a DPF using the ALEGRA [12] multiphysics code developed at Sandia National Laboratories. The simulations are run in both 2D and 3D, and the results are compared to each other as well as to experiments run in the DPF lab at National Security Technologies, LLC. The predictions of the 2D and 3D computations are qualitatively and quantitatively different, as the 2D simulations show systematically lower inductance, which results in systematically higher currents but unrealistically fast rundown times. The 3D simulations predict lower maximum current values but accurately represent the true rundown time shown in experimental data. This demonstrates that, despite the symmetric geometry of the machine, there are three-dimensional effects present in the MHD physics that must be accounted for in order to faithfully predict the outcome of DPF experiments. ## II DPF Physics and the Experimental Setup The DPF used in our experiments, and the geometry of which was modeled in the simulations, is formed of coaxial electrodes in a rarified deuterium atmosphere (about 7 Torr). A two-stage Marx capacitor bank is charged, and when discharged, breaks down the gas, forming a shock and starting the “inverse pinch” phase of the reaction, in which the gas expands outward from the anode to the cathode bars (see Fig. 1). Once the gas touches the cathode, the “run-down” phase begins, and the plasma moves up the anode until it Z-pinches at the top of the anode. These two phases, the inverse pinch and rundown, are approximately governed by magnetohydrodynamics and are the components of the reaction that are studied and simulated. ### II-A DPF Geometry and Setup Fig. 1 shows the DPF setup used in our experiments. The outer electrode (cathode) is formed of 24 copper bars, 0.375 inches thick and 30.75 inches tall, in a ring with an inside diameter of 6 inches. The cathode is at ground potential, and its bars are shorted at the top with a ring of copper. The anode is a hollow copper tube with an outer diameter of 4 inches that stands 23.6 inches above the ground plane, capped with a hemisphere. The vacuum chamber is 1 foot in diameter, and roughly 6 inches taller than the cathode cage. A Pyrex insulator tube, which is about 0.5 inches thick and stands 8.63 inches above the cathode base, separates the anode and cathode. Figure 1: A rendering of the DPF used for the models and experiments. The anode is the dome-topped cylinder in the center; the cathode “cage” is the collection of rectangular bars that surrounds the anode; and the insulator is visible through the bars, at the bottom of the cathode cage. The vacuum envelope is represented as the tall cylinder that surrounds the cathode and anode, and the ground plate is the flat cylinder at the bottom. Some support features, such as the cathode top support ring, have been left out of the drawing. The DPF is driven by a two-stage Marx capacitor bank, which is connected to the plasma focus tube by 36 coaxial cables. The total capacitance of the bank (when configured for discharge) is 432 $\mu$F, and the maximum total voltage in discharge configuration is 70 kV, which makes the maximum stored energy of the bank 1 MJ. The plasma shock is driven by an external circuit, and the circuit model used in the MHD simulations is shown in Fig. 2. The discharge switch in the circuit represents a collection of eight rail-gap switches that are simultaneously triggered by a single spark gap. The series inductance represents the transmission lines that feed power to the plasma focus tube and was determined empirically by fitting exponentially-dampened sine waves to the experimental data. The 10 nF capacitor in series with the small resistor represents the imperfect capacitance of the terminal plates and the transmission lines that supply the power to the plasma focus tube. The 120 $\Omega$ resistor in parallel with the plasma focus tube is the equivalent parallel resistance of the safety resistors. Figure 2: The equivalent DPF discharge circuit used in the MHD models. The top connection of the DPF is to the anode, and the bottom connection is to the cathode. The switch shown is a collection of eight triggered rail-gap switches. ### II-B Faraday Current Diagnostic The discharge current diagnostic is important for comparing simulations to experiment, because it allows for the measurement of both the maximum current through and rundown time of the DPF. As was noted above, these are two of the most important quantities for simulations in order to accurately predict neutron yield and to ensure that the maximum current runs through the system at the time of the Z-pinch. On the NSTec DPF, the discharge current is measured with a Faraday rotator [13], which uses the magnetically-induced linear polarization rotation in quartz fibers to measure the current in a circuit. The fiber is wound in a circular fashion around the anode, an orientation that causes the fiber to follow the direction of the magnetic field, allowing it to accurately measure the current. In (1), the polarization rotation angle, $\Theta$ (in radians), is related to the permeability of the vacuum, $\mu_{0}$, the current, $I$, the Verdet constant of the fiber, $V$, and the number of loops the fiber makes around the anode $n$. The interaction of the magnetic field, $\vec{B}$, with an element of the fiber’s length, $\vec{d\ell}$, is then integrated over the path of the fiber around the anode. In our arrangement, the fiber wraps around the anode $n=5.25$ turns. This path is denoted by $\xi$, and since the fiber is either parallel with the magnetic field or perpendicular to it, the rotation angle is $\Theta=V\int_{\xi}\vec{B}\cdot\vec{d\ell}=\mu_{0}nVI,$ (1) in MKSA units. The Faraday rotator current diagnostic is perferred over other discharge current measurements, such as the Rogowski coil, because the Faraday rotator gives current measurements that are not dependent on calibration factors, but rather on an easily measurable geometric quantitiy: the number of turns around the current to be measured. The only other factor that must be determined is the Verdet constant for the fiber, which can either be measured or obtained from a datasheet on the fiber. When properly set up, the Faraday rotator is a reliable diagnostic. Figure 3: Shown is a comparison of the current profiles for thirty-seven DPF shots, all at the same voltage and pressure (37.5 kV and 7.28 Torr, respectively). This demonstrates the consistency of the current produced by the machine, as well as representative Faraday rotator data. Fig. 3 shows experimentally-measured results from the Faraday rotator detector for 37 DPF shots initiated with the same voltage and pressure. As can be seen, the profiles are all nearly identical, which demonstrates both the shot-to- shot consistency of the DPF and the reliability of the Faraday diagnostic. The placement of the Faraday loop is important for understanding the current that it measures. This is easier to show than it is to describe, so this is included as fig. 4. Figure 4: Shown is a diagram of where the Faraday coil is placed on the Gemini DPF. In the cutaway, the red (darker) area represents the parts electrically connected to the anode, and the violet (lighter) areas are considered to be at cathode potential. The Faraday loop is shown as a hoop that is under the center center conductor wires, and above the ground plate. ## III Modeling and Simulation of the DPF The modeling for this project was performed with Sandia National Laboratories’ ALEGRA-MHD code. ALEGRA is a finite-element, multi-material, arbitrary Lagrangian-Eulerian (ALE) shock hydrodynamic code designed for parallel computing. It uses an operator-split edge-element formulation to simulate resistive MHD in 2D and 3D high-deformation shocked media and pulsed power systems. ALEGRA provides fine control over how the simulation is performed through a text file known as the “input deck.” The primary purpose of the input deck is to define the simulation geometry, material composition, and physics to be modeled, though it also allows a user to request output and provide runtime controls. Part of defining the physics of a simulation is setting up the equations of state for the gases, which was among the most challenging aspects of the problem. Tabular equations of state provide the most effective means of modeling the thermodynamic state of material in the simulations, which may be in the solid, liquid, gaseous, or ionized state. Tabular EOS models were made available through ALEGRA’s interface to Los Alamos National Laboratory’s SESAME [14] data. Tabular representations of the Lee-More-Desjarlais (LMD) electrical and thermal conductivity model [15] were also used here. The LMD model combines empirical data with inferences from quantum molecular dynamics modeling and density functional theory (QMD-DFT) to provide a conductivity representation that spans the transition between conducting and insulating conditions and has proven quite successful in this “warm dense matter” regime [16, 17]. There are two approaches to defining the geometry on which to simulate the reaction using ALGERA. The first is using ALEGRA’s built-in functionality, by declaring pre-defined volumetric shapes (like spheres, prisms, pyramids, etc.) and defining the material composition of each shape. For example, many DPF machines have cylindrical copper cathode bars, and it is possible to define in the input deck a cylinder made of copper. The code then generates a 2D or 3D unstructured mesh that overlays the defined shapes, allowing for mesh elements to intersect more than one user-defined shape. The second approach to defining the geometry is by performing the computation on a body-fitted mesh generated using an external meshing tool. The body-fitted mesh method is a more accurate method of describing the material in the simulation volume, but is more time- consuming to set up than the geometric method. ALEGRA’s built-in functionality was used to define the geometry and material composition in all of the simulations shown in what follows, and boundary conditions are specified on subsets of nodes or faces within the simulation volume. In any simulation, it is important that the geometry and the physics being simulated reflect the important geometries and physics of the experiment, and both raise several concerns in our simulations. For example, it is not necessary to include a faithful model of the vacuum chamber in our simulations, since the plasma does not interact with the top of the chamber during the simulation. Evaluating the physics being modeled, it is important to understand that the plasma in the DPF reaction is driven by an external electrical network, and a great strength of the ALEGRA-MHD code is that it has a sophisticated built-in circuit solver that can be used to couple electrical energy from user-specified circuits into the simulation volume. Near the end of the simulation, just prior to the Z-pinch, the MHD simulation begins to become unphysical because of its inability to represent certain phenomena, such as, the kinetic instabilities which raise the plasma resistivity. The simulation may run past the point of Z-pinch without crashing, but the time-evolution of the simulation would be unphysical. Once the MHD simulation begins to approach the Z-pinch, it is possible to transfer the model state information to a particle-in-cell model to accurately simulate the Z-pinch, which has been demonstrated by researchers at LLNL[18] and SNL[8]. Setting up the initial condition for the simulation can also be tricky, since the DPF’s starting state happens when the gas in the chamber breaks down in the vicinity of the insulating sheath and becomes a ring-shaped plasma shock. The breakdown of the gas is not covered by MHD physics, so the gas near the insulator has to be initialized in an artificial state that will quickly transition to the plasma shock known experimentally to exist in the DPF. We have found that setting up a thin layer of extremely hot ($\sim 10^{6}$ K, and therefore conductive) gas on the surface of the insulator results in the simulation initiating a plasma shock without causing observable artifacts in the time evolution of the simulation. Our experience with this initial condition is that the thin layer of hot gas should be about as thin as the Pyrex insulator and should touch both the anode and the cathode. Using this initiation of the plasma shock results in temperatures that match data from particle-in-cell calculations [8]. The artificially hot gas layer should stabilize its temperature near the shock temperature, $\sim 10^{4}K$, within a few solver timesteps (typically, about 20 nanoseconds). ### III-A Two-dimensional Modeling One and two dimensional models of the DPF are the most common in the literature, frequently coming in two generic types: empirical models and finite-element MHD models. The primary strength of empirical models, such as RADPFV5.5de [19], or Scat95 [20] is that they give results that are often very close to experimental data. A significant drawback is that they require existing data to fit the model to, and can therefore only be used to simulate devices that are quite similar to the devices that one has experimental data for already. The second class are finite-element codes such as MHRDR [21] and Mach2 [22] that perform MHD modeling in one or two dimensions or in axis- symmetric 3D. Fully 3D MHD codes are not new, but can be hard to obtain and are usually more difficult to operate than 2D codes. Results of fully-3D DPF modeling are not well represented in the literature. In many experimental realizations of the DPF, the cathode is a cylinder composed of metallic bars. While the plasma shock is traveling down the tube during rundown, the plasma spills outside of the anode-cathode gap through the spaces between the bars, a phenomenon that can be seen in the framing camera picture in Fig. 5. This can be approximated in 2D simulations, but in practice it is difficult to predict the time evolution of an actual DPF using these approximations. Figure 5: Shown is a framing camera picture of the plasma rising up the electrodes in a DPF. The top of the anode can be seen as the dark disk in the middle of the bars, which can be seen at the top. The lower region of the chamber is bright due to the plasma, which has escaped the anode-cathode gap and surrounded the bars. Simulations in 2D also impose other geometric constraints: the current density must either be completely in the radial-axial plane, or perpendicular to it, but not both at the same time. This precludes modeling situations that may have currents flowing helically, or situations in which the current may be flowing asymmetrically or off-axis. These restrictions on 2D simulations are often not of concern to investigators, who may want to ensure symmetry and simplicity in their experiments in order to simplify the data they collect. Nonetheless, the most general, physically realizable simulations are essential for complete understanding. The 2D simulation that was run in ALEGRA made the ad hoc assumption that there was a lower density floor below which the material was assumed to have no electrical or thermal conductivity. The floor was set at a density of 2.5$\times$10-4 kg/m3, which was was necessary in order to eliminate unphysical behavior in the simulation. The LMD model for deuterium plasma, shown in Figure 6, attributes moderate electrical conductivity to the plasma at this density for temperatures higher than approximately 1 eV, and this behavior is suppressed here, in order to cause the plasma shock to travel properly down the anode of the DPF. Figure 6: The Lee-More-Desjarlais (LMD) electrical conductivity model for deuterium. ### III-B Three-dimensional Modeling Fully 3D magnetohydrodynamic codes are available, such as ALEGRA and NIMROD [23], among others, and the benefit of using these codes is that the electrode geometry in the DPF can be modeled and simulated. The ability to investigate the effects of electrode structures without presupposing symmetries allows investigators to gain deeper understanding into how the plasma shock evolves over time. The primary drawback of 3D MHD modeling is the computational complexity of solving the MHD equations on large meshes, requiring computer clusters to perform simulations in a reasonable amount of time. Similar to the 2D modeling, the 3D modeling in ALEGRA required the imposition of a density floor at 2.5$\times$10-4 kg/m3 in the electrical and thermal conductivity models. Fig. 7 shows a representation of the material density midway through the rundown phase of the DPF in both the 2D and 3D simulations. The 2D modeling assumes axial symmetry, and the symmetry axis in both simulation volumes is on the far left-hand side. In the both simulations, the cathode bars are represented as rectangles on the right of the simulation domain, and the plasma shock travels from the bottom of the image to the top of the image, where it Z-pinches slightly above the hemispherical anode top. The plasma cannot flow around the cathode bars in the 2D simulation as it can in the 3D simulation. The 3D simulation simulates the entire gas volume of the chamber, and it can be seen in Fig. 7 that the plasma is slightly slower and less dense in the 3D simulation than in the 2D simulation. The larger inductance results in longer rundown times and lower maximum current as compared to the 2D simulation, if all other system parameters are equal. Figure 7: This is a comparison of the density on a slice through the simulation volume at about 3 microseconds. The image on the left shows the 2D simulation where the plasma cannot flow around the bars, and the image on the right shows the 3D simulation, where the plasma can flow around the bars. Since the plasma flows around the bars in the 3D simulation, it also affects the external impedance as a function of time for the simulation volume. ## IV Experimental and Predicted Results Comparison Fig. 8 shows the current profiles from a 3D simulation, two 2D simulations, and from the Faraday diagnostic of an actual experimental run. The “simulated current” in 2D (red, dashed line) and 3D (yellow, dash-dotted line) were both initiated using the same voltage and pressure as the experimental data. The 2D simulation predicts a peak current of 2.08 MA, which differs from the peak current measured by the Faraday diagnostic (2.17 MA) by only 4%. The 3D simulation systematically predicts lower peak currents, due to the higher inductance of the plasma escaping the cathode bars, and estimates peak current at 1.82 MA, an error of approximately 16%. Thus, for estimating peak current, the 2D simulation is more accurate than the corresponding 3D simulation. The more important quantity of interest, however, is the duration time of the rundown phase of the reaction. The end of the rundown phase is defined at the point of maximum derivative of the current profile, which is 6.96 $\mu$sec for the experimental data. The 3D simulation predicts 6.69 $\mu$sec, an error of less than 4%, whereas the 2D simulation predicts a rundown time of 5.59 $\mu$sec, an error of almost 20%, showing that the 3D simulation vastly outperforms the 2D simulation in predicting this quantity. The two primary inputs into the ALEGRA simulation that we have discussed so far are the initial voltage and pressure, since these are the adjustable initial conditions of the DPF machine. The simulation allows for other quantities to be tweaked as well, though, and it is natural to adjust the model parameters to attempt to match the experimental data more closely. This is difficult with the 3D simulations, since they are too computationally intensive to “tweak” parameters one at a time and analyze the changes in output. For the 2D simulations, however, this is possible, and Fig. 8 shows the results of a 2D simulation (“tweaked current,” pink dotted line) that was designed to match the rundown time of the experimental results. This required that the series inductance be adjusted from 25 nH to 28.2 nH. Note that there is no experimental justification for this change, it is done just to show that the true rundown time can be achieved with a 2D simulation. This simulation does not outperform the 3D, however, since the 2D simulation matching the experimental rundown time results in a far inferior peak current measurement. Thus a small improvement in rundown time over the 3D gives a large degradation in peak current. Figure 8: Shown is a comparison of the simulated 2D current (red, dashed line) to the current measured by the Faraday probe (blue, solid line) and to the simulated 3D current (yellow, dash-dotted line) and a Scat95 simulation (green, dotted line). The 2D simulation underestimates peak current and severely underestimates rundown time. The 3D simulation also underestimates peak current but more faithfully predicts rundown time. Also shown is a 2D simulation (pink, dotted line) whose input parameters are adjusted to give a rundown time similar to the experimental data. In order that the 2D simulation match the experimental rundown time, the peak current is severely underestimated. The Scat95 simualtion shows better agreement, however, requires iterative adjustment of parameters to already existing experimental data. Naturally one should use simulation input parameters that represent the experiment being simulated as faithfully as possible, and the story of Fig. 8 is that 2D simulations of a DPF can give quite good results when the peak current is the quantity of interest. When the rundown time is of interest, which is more often the case, it is necessary to use the fully 3D simulation to accurately predict the rundown time of an experiment. For comparison, a Scat95 simulation was iteratively adjusted to match the experimental data. While the agreement is good for this simulation, the parameters used in the match are only good matches for geometries and setups that are close to this particular case. Otherwise Scat95 achieves results that are similar to the 2D MHD simulations. ## V Conclusions In this work we have presented results of fully 3D predictive simulations of a Dense Plasma Focus, using the ALEGRA MHD code from Sandia National Laboratories. As opposed to 2D or axis-symmetric 3D simulations, the fully 3D models more faithfully predict the duration of the rundown phase of the DPF, which is essential for ensuring that the maximum current runs through the system at the time of Z-pinch, which is required to accurately predict neutron yield. The 2D simulations are appropriate for predicting the peak current in the DPF, but are not capable of matching both the peak current and rundown time simultaneously. ## Acknowledgment The authors would like to thank Aaron Luttman for helpful comments and suggestions on the manuscript. We would also like to thank Chris Hagen for providing support and encouragement for this project, as well as his insight into the theoretical and experimental operation of the DPF. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-AC04-94AL85000. This manuscript has been authored in part by National Security Technologies, LLC, under Contract No. DE-AC52-06NA25946 with the U.S. Department of Energy and supported by the Site-Directed Research and Development Program. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non- exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. ## References * [1] J. W. Mather, “Investigation of the High Energy Acceleration Mode in the Coaxial Gun,” Phys. Fluids. Suppl., vol. 7, S28, 1964. * [2] J. W. Mather, “Formation of a High-Density Deuterium Plasma Focus,” Phys. Fluids, vol. 8, no. 2, Feb., 1965, pp. 366-377. * [3] N. V. Filipov, T. I. Filipova, and V. P. Vinogradov, “Dense, High Temperature Plasma in a Noncylindrical Z-pinch Compression,” Nuc. Fusion, vol. 2, 577, 1962. * [4] V. A. Gribkov, L. Mahe, P. Lee, S. Lee, A. Srivastava, “Dense Plasma Focus radiation source for microlithography & micro-machining,” Proc. SPIE Microlithographic Techniques Integrated Circuit Fabrication II, vol. 4226, 2000, pp. 151-159. * [5] E. J. Lerner, S. K. Murali and A. Haboub, “Theory and Experimental Program for p-B11 Fusion with the Dense Plasma Focus,” J. Fusion Energy, vol. 30, no. 5, Jan., 2012, pp. 367-376. * [6] J. O. Pouzo, “Applications of the dense plasma focus to nuclear fusion and plasma astrophysics,” Plasma Science, IEEE Trans., vol. 31, no. 6, Dec., 2003, pp. 1237-1242. * [7] J. H. Gonzalez, F. R. Brollo, and A. Clausse, “Modeling of the Dynamic Plasma Pinch in Plasma Focus Discharges Based in Von Karman Approximations,” Plasma Science, IEEE Transactions on, vol. 37, no. 11, pp. 2178-2185, Nov., 2009. * [8] C. S. Kueny, D. G. Flicker, and D. V. Rose, “ALEGRA-HEDP Simulations of the Dense Plasma Focus,” Sandia National Laboratories, Albuquerque, NM, SAND2009-6373, 2009. * [9] T. J. Murphy, “A practical Beryllium activation detector for measuring DD neutron yield from ICF targets,” LA-UR-96-1649 Los Alamos Unclassified Report, 1996. * [10] B. T. Meehan, E. C. Hagen, C. L. Ruiz, G. W. Cooper, “Praseodymium activation detector for measuring bursts of 14 MeV neutrons,” Nucl. Instr. and Meth. A, vol. 620, 2010, pp. 397-400. * [11] O. Zucker, et. al., “The plasma focus as a large fluence neutron source,” Nucl. Instrm. and Meth., vol. 145, issue 1, Aug., 1977, pp. 185-190. * [12] W. J. Rider, A. C. Robinson, et al., “ALEGRA: An Arbitrary Lagrangian-Eulerian Multimaterial, Multiphysics Code,” Proc. 46th AIAA Aero. Sci. Meeting., Reno, NV, Jan., 2008. * [13] L.R. Veeser, G.W. Day, “Fiber-Optic, Faraday Rotation Current Sensor,” LA-UR-86-2084 Los Alamos Unclassified Report, 1984. * [14] S. P. Lyon, J. D. Johnson, “SESAME: The Los Alamos National Laboratory equation of state database.” LA-UR-92-3407 Los Alamos Unclassified Report, 1992. * [15] M. P. Desjarlais, “Practical Improvements to the Lee-More Conductivity Near the Metal-Insulator Transition,” Contrib. Plasm. Phys., vol. 41, 2001, pp. 267-270. * [16] M. K. Matzen, M. A. Sweeney, R. G. Adams, J. R. Asay, J. E. Bailey, et al., “Pulsed-power-driven high energy density physics and inertial confinement fusion research,” Phys. Plasmas, vol. 12, no. 055503, 2005. * [17] R. M. Lemke, M. D. Knudson, C. A. Hall, T. H. Haill, M. P. Desjarlais, J. R. Asay, “Characterization of magneticaly accelerated flyer plates,” Phys. Plasmas, vol. 10, no. 4, 2003, pp. 1092-1099. * [18] A. Schmidt, V. Tang, D. Welch, “Fully Kinetic Simulations of Dense Plasma Focus Z-Pinch Devices,” Phys. Rev. Letters, vol. 109, 205003 (2012). * [19] S. Lee, S. H. Saw, et al., “Characterizing Plasma Focus Devices - Role of the Static Inductance - Instability Phase Fitted by Anomalous Resistances,” J. Fusion Energy, vol. 30, no. 4, Aug. 2011pp. 277-282. * [20] R. Gribble, M. Yapuncich, W. Deninger, “SCAT95,” 2.0 Los Alamos National Laboratory, 1997. * [21] V. Makhin, B. Bauer, et al., “Numerical Modeling of a Magnetic Flux Compression Experiment,” Journal of Fusion Energy, vol. 26, 109-112, 2007 * [22] M. H. Freese, “MACH2: A Two-Dimensional Magnetohydrodynamic Simulation Code for Complex Experimental Configurations,” AMRC-R-874, (1987). * [23] C. R. Sovinec, A. H. Glasser, et al., “Nonlinear Magnetohydrodynamics with High-order Finite Elements,” J. Comp. Phys., 195, 335 (2004). B. T. Meehan received a B.S. in Physics from the United States Naval Academy in 1995 and an M.S. in Applied Physics from Stanford University in 1997. Currently he works with the Dense Plasma Focus Group at National Security Technologies, LLC, modeling DPFs with magnetohydrodynamics codes. --- J. H. J. Niederhaus holds a B.S. in Physics from the Virginia Military Institute (2001), an M.S. in Nuclear Engineering from the Pennsylvania State University (2003), and a Ph.D. in Engineering Physics from the University of Wisconsin-Madison (2007). He is a computer scientist in the Computational Shock and Multiphysics Department at Sandia National Laboratories. ---
arxiv-papers
2014-02-20T17:32:21
2024-09-04T02:49:58.478914
{ "license": "Public Domain", "authors": "B.T. Meehan, J.H.J. Niederhaus", "submitter": "Bernard Meehan", "url": "https://arxiv.org/abs/1402.5083" }
1402.5147
# Degenerate complex Hessian equations on compact Kähler manifolds Chinh H. Lu Chalmers University of Technology Mathematical Sciences 412 96 Gothenburg Sweden [email protected] and Van-Dong Nguyen Department of Mathematics- Informatics Ho Chi Minh city University of Pedagogy 280 An Duong Vuong Ho Chi Minh city, Vietnam [email protected] (Date: The first-named author is partially supported by the french ANR project MACK) ###### Abstract. Let $(X,\omega)$ be a compact Kähler manifold of dimension $n$ and fix $m\in\mathbb{N}$ such that $1\leq m\leq n$. We prove that any $(\omega,m)$-sh function can be approximated from above by smooth $(\omega,m)$-sh functions. A potential theory for the complex Hessian equation is also developed which generalizes the classical pluripotential theory on compact Kähler manifolds. We then use novel variational tools due to Berman, Boucksom, Guedj and Zeriahi to study degenerate complex Hessian equations. ###### Contents 1. 1 Introduction 2. 2 Preliminaries 3. 3 Approximation of $(\omega,m)$-subharmonic functions 4. 4 The Hessian $m$-capacity 5. 5 Energy classes 6. 6 The variational method 7. 7 Resolution of the degenerate complex Hessian equation ## 1\. Introduction Let $(X,\omega)$ be a compact Kähler manifold of complex dimension $n$. Let $m$ be a natural number between $1$ and $n$. Denote by $d,d^{c}$ the usual real differential operators $d:=\partial+\bar{\partial}$, $d^{c}=\frac{\sqrt{-1}}{2\pi}(\bar{\partial}-\partial)$ so that $dd^{c}=\frac{i}{\pi}\partial\bar{\partial}$. The complex $m$-Hessian equation can be considered as an interpolation between the classical Poisson equation (corresponds to the case when $m=1$) and the complex Monge-Ampère equation (corresponds to $m=n$) which has been studied intensively in the recent years with many applications to complex geometry. For recent developments of the latter, see [44, 7, 20, 21, 27, 28] and the references therein. The study of complex Hessian equations was initiated by Li in [29] where he solved the Dirichlet problem with smooth data on a smooth strictly $m$-pseudoconvex domain in $\mathbb{C}^{n}$. Błocki [7] developed the first steps of a potential theory for this equation and suggested a study of the corresponding equation on compact Kähler manifolds which is analogous to the complex Monge-Ampère equation. The non-degenerate complex Hessian equation is of the following form (1.1) $(\omega+dd^{c}\varphi)^{m}\wedge\omega^{n-m}=f\omega^{n},$ where $0<f\in\mathcal{C}^{\infty}(X)$ satisfies the necessary condition $\int_{X}f\omega^{n}=\int_{X}\omega^{n}$. It has been studied by Kokarev [26], Jbilou [25] and Hou-Ma-Wu [23],[24]. In [25] and [23] the authors independently proved that equation (1.1) has a unique (up to an additive constant) smooth admissible solution provided the metric $\omega$ has non- negative holomorphic bisectional curvature. This technical assumption turned out to be very strong since manifolds carrying such metrics are very restrictive thanks to a uniformization theorem of Mok (see [33]). Another effort from Hou-Ma-Wu [24] provided an a priori almost $\mathcal{C}^{2}$-estimate without any curvature assumption. The authors also mentioned that their estimate can also be used in a blow-up analysis which actually reduced the problem of solving the complex Hessian equation on a compact Kähler manifold to proving a Liouville-type theorem for $m$-subharmonic functions in $\mathbb{C}^{n}$. The latter has been recently solved by Dinew and Kołodziej [16] which confirmed the smooth resolution of equation (1.1) in full generality. Dinew and Kołodziej also gave a very powerful $\mathcal{C}^{0}$-estimate in [15] which allows one to find continuous weak solution of the degenerate complex Hessian equation with $f\in L^{p}(X)$ for some $p>n/m$. The real Hessian equation has been studied intensively with many geometric applications. For a survey of this theory we refer the reader to [39], [40], [45], [13] and the references therein. Some similar non-linear elliptic equations of have appeared in the study of geometric deformation flows such as the $J$-flow (see [38]). From the point of view of non-linear elliptic partial differential equations the complex Hessian equation is an interesting and important object. Recently another general (and powerful) $\mathcal{C}^{2,\alpha}$ estimate for equations of this type has been obtained in [41]. In [1] equations of complex Hessian type appear in the study of quaternionic geometry. Thus it is expected that the complex Hessian equation we considered here will have some interesting geometric applications. The notion of $(\omega,m)$-subharmonic functions has been introduced in [15] and studied by the first-named author in a systematic way in [31]. It was not clear how to define the complex Hessian operator for any bounded $(\omega,m)$-sh function due to a lack of regularization process. Recently Plis [36] proved that one can approximate continuous strictly $(\omega,m)$-sh functions by smooth ones. In this paper we show that one can globally approximate any $(\omega,m)$-subharmonic functions from above by a sequence of smooth $(\omega,m)$-subharmonic functions. In particular, the class $\mathcal{P}_{m}(X,\omega)$ introduced in [30] consists of all $(\omega,m)$-subharmonic functions. For any upper semicontinuous function $f$ we define the projection of $f$ on the space of $(\omega,m)$-subharmonic functions by: $P(f):=\sup\left\\{u\in\mathcal{SH}_{m}(X,\omega)\ \big{|}\ u\leq f\right\\}.$ Using Berman’s technique [4] combined with the viscosity method by Eyssidieux, Guedj and Zeriahi [17] we can prove that the projection of a smooth function is continuous. Moreover, we can also prove the orthogonal relation without solving the local Dirichlet problem. Let us stress that our method is new even in the case of complex Monge-Ampère equations ($n=m$). ###### Theorem 1. Let $(X,\omega)$ be a compact Kähler manifold of dimension $n$ and fix $m\in\mathbb{N}$ such that $1\leq m\leq n$. Let $h$ be a continuous function on $X$. The $(\omega,m)$-subharmonic function $P(h)$ is continuous and its Hessian measure is a non-negative measure supported on the contact set $\\{P(h)=h\\}$. Following [18] we can approximate any $(\omega,m)$-sh function from above by a sequence of smooth $(\omega,m)$-sh functions. ###### Theorem 2. For every $u\in\mathcal{SH}_{m}(X,\omega)$ we can find a decreasing sequence of smooth $(\omega,m)$-subharmonic functions on $X$ which decreases to $u$ on $X$. The approximation theorem (Theorem 2) was known to hold for continuous $(\omega,m)$-sh functions by a recent paper of Plis ([36]) while the same question for any $(\omega,m)$-sh function is still open until now. One can easily figure out that we only need to regularize any $(\omega,m)$-sh function by continuous functions and then apply Plis’s result. Let us emphasize that we prove the approximation theorem independently by combining the ”$\beta$-convergence” method of Berman [4] and the envelope method of Eyssidieux-Guedj-Zeriahi [18]. Being able to regularize bounded $(\omega,m)$-subharmonic functions we can define the complex Hessian operator for these functions following the pluripotential method of Bedford and Taylor [3]. We then can adapt many arguments in pluripotential theory for complex Monge-Ampère equations to a potential theory for complex Hessian equations on compact Kähler manifolds. We can also mimic the definition of the class $\mathcal{E}(X,\omega)$ for $\omega$-psh functions introduced in [21] to define a similar class of $(\omega,m)$-subharmonic functions $\mathcal{E}(X,\omega,m)$. Using the variational approach inspired by Berman, Boucksom, Guedj and Zeriahi [6] we can solve very degenerate complex Hessian equations with right-hand sides being positive measures vanishing on $m$-polar sets. The two major steps to apply this method are the regularization process and the orthogonal relation which have been established in the previous results. We also give simpler proof of the differentiability of the energy functional composed with the projection (see Lemma 6.13). ###### Theorem 3. Let $\mu$ be a positive Radon measure on $X$ satisfying the compatibility condition $\mu(X)=\int_{X}\omega^{n}$. Assume that $\mu$ does not charge $m$-polar subsets of $X$. Then there exists a solution $\varphi\in\mathcal{E}(X,\omega,m)$ to $(\omega+dd^{c}\varphi)^{m}\wedge\omega^{n-m}=\mu.$ Acknowledgements. We thank Robert Berman for many useful discussions. We are indebted to Eleonora Di Nezza and Ahmed Zeriahi for a very careful reading of a previous draft version of this paper. ## 2\. Preliminaries In this section we recall basic facts about $(\omega,m)$-subharmonic functions. We refer the readers to [7], [15], [16], [30], [31], [34], [35], [37], [12] for more details. We always denote by $(X,\omega)$ a compact Kähler manifold. By $(M,\omega)$ we denote a Kähler manifold which is not necessary compact. Let $n$ be the complex dimension of the manifold and fix an integer $m$ such that $1\leq m\leq n$. We denote $\mathcal{C}^{\uparrow}$ the space of upper semicontinuous functions. ### 2.1. $m$-Subharmonic functions ###### Definition 2.1. A real $(1,1)$-form $\alpha$ is called $m$-positive on $M$ if the following inequalities hold in the classical sense: $\alpha^{k}\wedge\omega^{n-k}\geq 0,\ \forall k=1,...,m.$ A function $\varphi\in\mathcal{C}^{2}(M)$ is called $m$-subharmonic ($m$-sh for short) on $M$ if the $(1,1)$-form $dd^{c}\varphi$ is $m$-positive on $M$. A current $T$ of bidegree $(n-p,n-p)$, $p\leq m$, is called $m$-positive on $M$ if for any $m$-positive $(1,1)$-forms $\alpha_{1},...,\alpha_{p}$ the following inequality holds in the sense of currents : $\alpha_{1}\wedge\cdots\wedge\alpha_{p}\wedge T\geq 0.$ For each $k\geq 1$ the symmetric polynomial of degree $k$ on $\mathbb{R}^{n}$ is defined by $S_{k}(\lambda):=\sum_{1\leq i_{1}<\cdots<i_{k}\leq n}\lambda_{i_{1}}\cdots\lambda_{i_{k}},\ \ \ \lambda:=(\lambda_{1},\cdots,\lambda_{n})\in\mathbb{R}^{n}.$ Let $\varphi\in\mathcal{C}^{2}(M)$ and set $\lambda:=\lambda_{\varphi}(x)\in\mathbb{R}^{n}$ the vector of eigenvalues of $dd^{c}\varphi$ at $x$ with respect to $\omega$. Then $\varphi$ is $m$-subharmonic in $\Omega$ if and only if $S_{k}(\lambda_{\varphi}(x))\geq 0,\ \forall x\in M,\ \forall k=1,...,m.$ The following lemma follows immediately from Gårding’s inequality [19] (see also [7]). ###### Lemma 2.2. Let $u\in\mathcal{C}^{2}(M)$. Then $u$ is $m$-subharmonic in $M$ if and only if for every $m$-positive $(1,1)$-forms $(\alpha_{1},...,\alpha_{m-1})$ on $M$ the following inequality holds in the classical sense: $dd^{c}u\wedge\alpha_{1}\wedge\cdots\wedge\alpha_{m-1}\wedge\omega^{n-m}\geq 0.$ This lemma suggests a way to extend Definition 2.1 for non-smooth functions. ###### Definition 2.3. Assume that $u\in\mathcal{C}^{\uparrow}(M)$ is locally integrable on $M$. Then $u$ is called $m$-sh on $M$ if (i) for any $m$-positive $(1,1)$-forms $\alpha_{1},...,\alpha_{m-1}$ on $M$, the following inequality holds in the weak sense of currents on $M$ : $dd^{c}u\wedge\alpha_{1}\wedge\cdots\wedge\alpha_{m-1}\wedge\omega^{n-m}\geq 0.$ (ii) if $v\in\mathcal{C}^{\uparrow}(M)$ is locally integrable, satisfies (i) and $u=v$ almost everywhere on $M$ then $u\leq v$. We denote by $\mathcal{SH}_{m}(M)$ the class of all $m$-sh functions on $M$. If $M$ is compact this class contains only constant functions. We will study instead the class of $(\omega,m)$-subharmonic functions (see the next section). ###### Definition 2.4. A function $u$ is called strictly $m$-sh on $M$ if for every function $\chi\in\mathcal{C}^{2}(M)$ there exists $\varepsilon>0$ such that $u+\varepsilon\chi$ is $m$-sh on $M$. When $M=\Omega$ a bounded $m$-hyperconvex domain in $\mathbb{C}^{n}$, we recover the definition of $m$-subharmonic functions introduced in [7], [37], [34], [35],[32]. ### 2.2. $(\omega,m)$-subharmonic functions ###### Definition 2.5. Let $u\in\mathcal{C}^{\uparrow}(X)$ be an integrable function. Then $u$ is called $(\omega,m)$-subharmonic on $X$ if for every local chart $\Omega$ the function $u+\rho$ is $m$-sh in $\Omega$, where $\rho$ is a local potential of $\omega$. Here, we regard $(\Omega,\omega|_{\Omega})$ as an open Kähler manifold. The notion of $m$-sh functions on $\Omega$ is defined in the previous subsection. When $m=1$, $(\omega,1)$-sh functions on $X$ are just $\omega$-subharmonic functions on $X$. When $m=n$, $(\omega,m)$-sh functions are exactly $\omega$-plurisubharmonic functions which have been studied intensively by many authors in the recent years. It follows from Lemma 2.2 that a function $u\in\mathcal{C}^{2}(X)$ is $(\omega,m)$-sh if and only if the associated $(1,1)$-form $\omega+dd^{c}\varphi$ is $m$-positive on $X$. In general $u$ is $(\omega,m)$-sh if the current $\omega+dd^{c}\varphi$ is $m$-positive on $X$. ###### Definition 2.6. A function $u$ is called strictly $(\omega,m)$-sh on $X$ if for every function $\chi\in\mathcal{C}^{2}(X)$ there exists $\varepsilon>0$ such that $u+\varepsilon\chi$ is $(\omega,m)$-sh on $X$. Continuous strictly $(\omega,m)$-sh functions on $X$ can also be approximated from above by smooth ones. This is the content of the next theorem due to Plis [36]: ###### Theorem 2.7. [36] Let $(X,\omega)$ be a compact Kähler manifold and $u$ be a continuous strictly $(\omega,m)$-subharmonic function on $X$. Let $h$ be a continuous function on $X$ such that $h>0$. Then there exists a smooth strictly $(\omega,m)$-sh function $\varphi$ on $X$ such that $u\leq\varphi\leq u+h.$ ### 2.3. The complex Hessian operator We briefly recall basic facts about the class $\mathcal{P}_{m}(X,\omega)$ and the complex Hessian operator introduced in [30]. Let $U\subset X$ be an open subset. The Hessian $m$-capacity of $U$ is defined by ${\rm Cap}_{\omega,m}(U):=\sup\left\\{\int_{U}H_{m}(u)\ \big{|}\ u\in\mathcal{SH}_{m}(X,\omega)\cap\mathcal{C}^{2}(X),\ -1\leq u\leq 0\right\\},$ where for a smooth function $u$, we denote $H_{m}(u):=(\omega+dd^{c}u)\wedge\omega^{n-m}$. ###### Definition 2.8. Let $\varphi\in\mathcal{SH}_{m}(X,\omega)$. By definition $\varphi$ belongs to $\mathcal{P}_{m}(X,\omega)$ if there exists a sequence $(\varphi_{j})\subset\mathcal{SH}_{m}(X,\omega)\cap\mathcal{C}^{2}(X)$ which converges to $\varphi$ quasi-uniformly on $X$, i.e. for any $\varepsilon>0$ there exists an open subset $U$ such that ${\rm Cap}_{\omega,m}(U)<\varepsilon$ and $\varphi_{j}$ converges uniformly to $\varphi$ on $X\setminus U$. We will show in the next section that $\mathcal{P}_{m}(X,\omega)=\mathcal{SH}_{m}(X,\omega)$. It follows from the definition that every $\varphi\in\mathcal{P}_{m}(X,\omega)$ is quasi- continuous, i.e. for any $\varepsilon>0$ we can find an open subset $U$ such that ${\rm Cap}_{\omega,m}(U)<\varepsilon$ and the restriction of $\varphi$ on $X\setminus U$ is continuous. Assume that $\varphi\in\mathcal{P}_{m}(X,\omega)$ is bounded. Let $(\varphi_{j})$ be a sequence of functions in $\mathcal{SH}_{m}(X,\omega)\cap\mathcal{C}^{2}(X)$ which converges quasi- everywhere on $X$ to $\varphi$. Then the sequence $H_{m}(\varphi_{j})$ converges weakly to some positive Radon measure $\mu$. This measure $\mu$ does not depend on the choice of the sequence $(\varphi_{j})$ and is defined to be the Hessian measure of $\varphi$: $(\omega+dd^{c}\varphi_{j})^{m}\wedge\omega^{n-m}=:H_{m}(\varphi_{j})\rightharpoonup H_{m}(\varphi).$ The class $\mathcal{P}_{m}(X,\omega)$ is stable under taking maximum and under decreasing sequence. ### 2.4. Viscosity vs potential sub-solution Let $0\leq F$ be a continuous function on $X$ and $u$ be an upper semicontinuous function on $X$. Let $x_{0}\in X$ and $q$ be a $\mathcal{C}^{2}$ function in a small neighborhood $V$ of $x_{0}$. We say that $q$ touches $u$ from above (in $V$) at $x_{0}$ if $q\geq u$ in $V$ with equality at $x_{0}$. We say that $u$ is a viscosity sub-solution of equation (2.1) $F\omega^{n}-(\omega+dd^{c}\varphi)^{m}\wedge\omega^{n-m}=0$ if for any $x_{0}\in X$ and any $\mathcal{C}^{2}$ function $q$ in a neighborhood of $x_{0}$ which touches $u$ from above at $x_{0}$ then the following inequality holds at $x_{0}$ $F\omega^{n}-(\omega+dd^{c}q)^{m}\wedge\omega^{n-m}\leq 0.$ The following result has been proved by Plis ([36]) using [22]. This will play an important role in our regularization theorem. ###### Lemma 2.9. [36] Let $u$ be a $(\omega,m)$-subharmonic function on $X$. Then $u$ is a viscosity sub-solution of (2.1) with $F\equiv 0$. More precisely, for any $x_{0}\in X$ and any $\mathcal{C}^{2}$ function $q$ in a neighborhood of $x_{0}$ which touches $u$ from above at $x_{0}$ then the following inequalities hold at $x_{0}$: $(\omega+dd^{c}q)^{k}\wedge\omega^{n-k}\geq 0,\ \forall k=1,...,m.$ We also need a generalized version of the above result. The idea is to adapt some useful tricks in [22]. ###### Lemma 2.10. Let $F$ be a non-negative continuous function on $X$. Let $u\in\mathcal{P}_{m}(X,\omega)\cap\mathcal{C}(X)$ be a potential solution of equation (2.1). Then $u$ is also a viscosity sub-solution of (2.1). ###### Proof. We argue by contradiction. Assume that there exists $x_{0}\in X$, $B=\bar{B}(x_{0},r)$ a small open ball centered at $x_{0}$ and $q\in\mathcal{C}^{2}(B)$ such that $q$ touches $u$ from above in $B$ at $x_{0}$ but (2.2) $F\omega^{n}-(\omega+dd^{c}q)^{m}\wedge\omega^{n-m}>\varepsilon,$ at $x_{0}$ for some positive constant $\varepsilon>0$. Since $F$ is continuous, by shrinking $B$ a little bit we can assume that (2.2) holds for every point in $B$. Fix $\delta>0$. It follows from [15], [16] that we can find $u_{\delta}\in\mathcal{SH}_{m}(X,\omega)\cap\mathcal{C}^{\infty}(X)$ such that $\sup_{X}|u_{\delta}-u|<\delta r^{2}/2\ ,\sup_{X}|F_{\delta}-F|<\delta/2\ ,\ {\rm and}\ (\omega+dd^{c}u_{\delta})^{m}\wedge\omega^{n-m}=F_{\delta}\omega^{n}.$ Consider the function $\phi_{\delta}(x):=u_{\delta}(x)-q(x)-\delta|x-x_{0}|^{2},\ \ x\in B=\bar{B}(x_{0},r).$ Let $x_{\delta}\in B$ be a maximum point of $\phi_{\delta}$ in $B$. Observe that if $x\in\partial B$ we have $\phi_{\delta}(x)<u(x)+\delta r^{2}/2-q(x)-\delta r^{2}\leq-\delta r^{2}/2,$ while $\phi_{\delta}(x_{0})>u(x_{0})-\delta r^{2}/2-q(x_{0})=-\delta r^{2}/2$. Thus $x_{\delta}$ is in the interior of $B$ and hence the maximum principle yields that $(\omega+dd^{c}(q+\delta|x-x_{0}|^{2}))^{m}\wedge\omega^{n-m}\geq F_{\delta}\omega^{n}$ holds at $x_{\delta}$. Letting $\delta\downarrow 0$ we can find $\bar{x}\in B$ such that the following holds at $\bar{x}$ $(\omega+dd^{c}q)^{m}\wedge\omega^{n-m}\geq F\omega^{n}.$ This yields a contradiction since (2.2) holds in $B$. ∎ ## 3\. Approximation of $(\omega,m)$-subharmonic functions In this section we prove the approximation theorem. Recall that it follows from the recent work of Plis [36] (Theorem 2.7) that any continuous $(\omega,m)$-sh function can be uniformly approximated by smooth ones. Thus one needs only to approximate any $(\omega,m)$-sh function by continuous ones. Let us stress that our proof is independent of Plis’s result. We immediately regularize $(\omega,m)$-sh functions by using recent methods of Berman [4] and Eyssidieux-Guedj-Zeriahi [18]. We first define the projection of any function on the class of $(\omega,m)$-sh functions. Let $f$ be any upper semicontinuous function such that there is a $(\omega,m)$-sh function lying below $f$. We define $P(f):=\sup\left\\{v\in\mathcal{SH}_{m}(X,\omega)\ \big{|}\ v\leq f\ {\rm on}\ X\right\\}.$ It is clear that $P(f)^{*}$ is again a candidate defining $P(f)$. Then $P(f)^{*}\leq P(f)$ which implies that $P(f)=P(f)^{*}$ is a $(\omega,m)$-sh function. This is the maximal $(\omega,m)$-sh function lying below $f$. The following observation follows straightforward from the definition: ###### Lemma 3.1. Let $f,g$ be two bounded upper semicontinuous functions on $X$. Then $\sup_{X}|P(f)-P(g)|\leq\sup_{X}|f-g|.$ Let $f$ be any function of class $\mathcal{C}^{2}$ on $X$. We define $H_{m}(f)^{+}$ to be the non-negative part of $H_{m}(f)$, i.e. $H_{m}(f)^{+}(z):=\max\left[(\omega+dd^{c}f)^{m}\wedge\omega^{n-m}(z),0\right].$ Observe that for any $f\in\mathcal{C}^{2}(X)$, the non-negative part of the Hessian measure of $f$ is a non-negative measure having continuous density. This measure also has positive mass. It follows from [30] that for every $\beta>0$ the following equation has a unique continuous solution in the class $\mathcal{P}_{m}(X,\omega)$: (3.1) $(\omega+dd^{c}\varphi)^{m}\wedge\omega^{n-m}=e^{\beta(\varphi-f)}\left(H_{m}(f)^{+}+\frac{\omega^{n}}{\beta}\right).$ ###### Theorem 3.2. Let $f\in\mathcal{C}^{2}(X)$. For each $\beta>1$, let $u_{\beta}\in\mathcal{P}_{m}(X,\omega)$ be the unique solution to equation (3.1). Then $u_{\beta}\leq f$ on $X$. Moreover, when $\beta$ goes to $+\infty$, $u_{\beta}$ converges uniformly on $X$ to the upper envelope $P(f):=\sup\left\\{v\in\mathcal{SH}_{m}(X,\omega)\ \big{|}\ v\leq f\ {\rm on}\ X\right\\}.$ In particular $P(f)$ belongs to $\mathcal{P}_{m}(X,\omega)\cap\mathcal{C}(X)$ and satisfies $H_{m}(P(f))\leq{\bf 1}_{\\{P(f)=f\\}}H_{m}(f).$ This Theorem is the principal result of our paper. Right after we know how to regularize singular functions the other parts of the potential theory can be easily adapted from the classical pluripotential theory for Monge-Ampère equations. Let us also stress that our proof is new even in the case of complex Monge-Ampère equations. ###### Proof. Fix $\beta>1$. To simplify the notation we set $\varphi:=u_{\beta}$. It follows from Lemma 2.10 that $\varphi$ is also a viscosity sub-solution of equation $e^{\beta(\varphi-f)}\left(H_{m}(f)^{+}+\frac{\omega^{n}}{\beta}\right)-(\omega+dd^{c}\varphi)^{m}\wedge\omega^{n-m}=0.$ Let $x_{0}$ be a point where $\varphi-f$ attains its maximum on $X$. Then $f-f(x_{0})+\varphi(x_{0})$ touches $\varphi$ from above at $x_{0}$. By definition of viscosity sub-solutions we get $e^{\beta(\varphi(x_{0})-f(x_{0}))}\left(H_{m}(f)^{+}+\frac{\omega^{n}}{\beta}\right)(x_{0})-(\omega+dd^{c}f)^{m}\wedge\omega^{n-m}(x_{0})\leq 0.$ We then infer that $\varphi(x_{0})\leq f(x_{0})$ which proves that $\varphi-f\leq 0$ on $X$. Now, fix $\beta>\gamma>1$. Since $u_{\beta}\leq f$, it is easy to see that $(\omega+dd^{c}u_{\beta})^{m}\wedge\omega^{n-m}\leq e^{\gamma(u_{\beta}-f)}\left(H_{m}(f)^{+}+\frac{\omega^{n}}{\gamma}\right).$ It thus follows from the comparison principle (see [30, Corollary 3.15]) that $u_{\beta}\geq u_{\gamma}$. Therefore the sequence $(u_{\beta})$ converges. Observe also that the right-hand side of (3.1) has uniformly bounded density. It then follows from [15] and [30] that $(u_{\beta})$ converges uniformly on $X$ to $u\in\mathcal{P}_{m}(X,\omega)\cap\mathcal{C}(X)$ which satisfies $(\omega+dd^{c}u)^{m}\wedge\omega^{n-m}\leq{\bf 1}_{\\{u=f\\}}H_{m}(f)^{+}.$ Now, we prove that $u=P(f)$. Let us fix $h\in\mathcal{SH}_{m}(X,\omega)$ such that $h\leq f$. We need to show that $h\leq u$. The idea behind the proof is quite simple: since $H_{m}(u)$ vanishes on $\\{u<f\\}$, $u$ must be maximal there, hence $u$ dominates any candidate defining $P(f)$. Fix $\varepsilon>0$ and set $U:=\\{u<f-\varepsilon\\}$. Write $(\omega+dd^{c}u_{\beta})^{m}\wedge\omega^{n-m}=f_{\beta}\omega^{n},$ where $f_{\beta}$ is a non-negative continuous function on $X$. Since $u_{\beta}$ converges uniformly on $X$ to $u$ and $f_{\beta}$ converges uniformly to $0$ on $U$, we can find $\beta>0$ very big such that $\sup_{U}f_{\beta}<\varepsilon^{m}/2\ \ {\rm and}\ \ \sup_{X}|u_{\beta}-u|<\varepsilon/2.$ Now, since $f_{\beta}$ is continuous on $X$ there is a sequence of smooth positive functions $g_{\beta}^{j}$ converging uniformly to $f_{\beta}$ on $X$ such that $\int_{X}g_{\beta}^{j}\omega^{n}=\int_{X}\omega^{n}$. Let $v_{\beta}^{j}$ be the corresponding smooth solutions to the complex Hessian equations $H_{m}(v_{\beta}^{j})=g_{\beta}^{j}\omega^{n}$. Then it follows from [15] that $v_{\beta}^{j}$ converges uniformly to $u_{\beta}$ on $X$. Now for $j$ large enough we have found $v_{\beta}$ (we drop the index $j$) a smooth $(\omega,m)$-sh functions on $X$ such that $H_{m}(v_{\beta})=g_{\beta}\omega^{n},\ \ \sup_{X}|v_{\beta}-u_{\beta}|<\varepsilon/2\ \ {\rm and}\ \ \sup_{X}|g_{\beta}-f_{\beta}|<\varepsilon^{m}/2.$ In particular, we have $H_{m}(v_{\beta})=g_{\beta}\omega^{n},\ \ \sup_{X}|v_{\beta}-u|<\varepsilon\ \ {\rm and}\ \ \sup_{U}g_{\beta}<\varepsilon^{m}.$ Consider the function $\phi:=h-(1+\delta)v_{\beta},$ where $\delta=\varepsilon/(1-\varepsilon)$. Since $\phi$ is upper semicontinuous on $X$ compact, it attains its maximum on $X$ at some $y_{0}\in X$. Assume that $y_{0}\in U$. Then the function $(1+\delta)v_{\beta}-(1+\delta)v_{\beta}(y_{0})+h(y_{0})$ touches $h$ from above at $y_{0}$. Then by definition of viscosity sub-solutions and by Lemma 2.9 we get $\left[\omega+(1+\delta)dd^{c}v_{\beta}\right]^{k}\wedge\omega^{n-k}(y_{0})\geq 0,\forall k=1\cdots m.$ This yields $(1+\delta)^{m}H_{m}(v_{\beta})(y_{0})\geq\delta^{m}\omega^{n}(y_{0}),$ which is a contradiction since in $U$, $H_{m}(v_{\beta})<\varepsilon^{m}\omega^{n}$ and $\delta=\varepsilon(1+\delta)$. Therefore, $y_{0}\notin U$. Since $u\geq f-\varepsilon$ on $X\setminus U$ and since $\sup_{X}|v_{\beta}-u|<\varepsilon$ we get $\phi(y)\leq\phi(y_{0})\leq-\delta f(y_{0})+2\varepsilon(1+\delta),\ \forall y\in X.$ We thus obtain $h\leq(1+\delta)u+\delta\sup_{X}|f|+3\varepsilon(1+\delta).$ By letting $\varepsilon\downarrow 0$ (and hence $\delta$ also goes to $0$) we obtain $h\leq u$. ∎ ###### Corollary 3.3. For any $\varphi\in\mathcal{SH}_{m}(X,\omega)$ there exists a sequence $(\varphi_{j})\subset\mathcal{SH}_{m}(X,\omega)\cap\mathcal{C}^{\infty}(X)$ decreasing to $\varphi$ on $X$. In particular $\varphi\in\mathcal{P}_{m}(X,\omega)$ and the two classes coincide. ###### Proof. Let $\varphi$ be a $(\omega,m)$-subharmonic function on $X$. Since $\varphi$ is in particular upper semicontinuous we can find a sequence $(f_{j})$ of smooth functions on $X$ decreasing to $\varphi$. Note that $(f_{j})$ is a priori not $(\omega,m)$-sh on $X$. Let $P(f_{j})$ be the upper envelope of $(\omega,m)$-sh functions lying below $f_{j}$. It follows from Theorem 3.2 that $P(f_{j})$ is a continuous $(\omega,m)$-sh function on $X$ which belongs to $\mathcal{P}_{m}(X,\omega)$ and satisfies $H_{m}(P(f_{j}))\leq{\bf 1}_{\\{P(f_{j})=f_{j}\\}}H_{m}(f_{j}).$ On the above the right-hand side has bounded density. Thus it follows from [15] (see also [30]) that for each $j$, $P(f_{j})$ is the uniform limit of a sequence of smooth $(\omega,m)$-sh functions. Therefore, for each $j$ we can find $\varphi_{j}\in\mathcal{SH}_{m}(X,\omega)\cap\mathcal{C}^{\infty}(X)$ such that $P(f_{j})+\frac{1}{j+1}\leq\varphi_{j}\leq P(f_{j})+\frac{1}{j}.$ Then it is clear that $\varphi_{j}$ decreases to $\varphi$. Now, it follows from [30, Proposition 3.2] that $\varphi$ belongs to $\mathcal{P}_{m}(X,\omega)$ and hence $\mathcal{SH}_{m}(X,\omega)=\mathcal{P}_{m}(X,\omega)$. ∎ We immediately get the following: ###### Corollary 3.4. If $h\in\mathcal{C}(X)$ then $P(h)$ is a continuous $(\omega,m)$-sh function. Its Hessian measure $H_{m}(P(h))$ vanishes on $\\{P(h)<h\\}$. ###### Proof. To prove the first statement it suffices to approximate $h$ by smooth functions and apply Lemma 3.1. To prove the second statement we first assume that $h$ is smooth on $X$. It follows from Theorem 3.2 that $P(h)=\lim_{\beta\to+\infty}u_{\beta}$ is the uniform limit of continuous $(\omega,m)$-sh functions on $X$. For each $\varepsilon>0$, $H_{m}(u_{\beta})$ converges uniformly to $0$ on $\\{P(h)<h-\varepsilon\\}$. This coupled with convergence results in [30] explain why $H_{m}(P(h))$ vanishes on $\\{P(h)<h\\}$. The general case follows by approximating $h$ uniformly by smooth functions. ∎ ## 4\. The Hessian $m$-capacity In Section 2.3 we define Hessian $m$-capacity of any open subset. Now, we know that the Hessian operator is well-defined for any bounded $(\omega,m)$-sh function. It turns out that in the definition of the Hessian $m$-capacity one can take the supremum over all $(\omega,m)$-sh functions whose values vary from $-1$ to $0$ and not only $\mathcal{C}^{2}$ functions. We then extend this definition to any Borel subset. For each Borel subset $E\subset X$ we define the Hessian $m$-capacity of $E$ by ${\rm Cap}_{\omega,m}(E):=\sup\left\\{\int_{E}H_{m}(u)\ \big{|}\ u\in\mathcal{SH}_{m}(X,\omega),\ -1\leq u\leq 0\right\\}.$ The following properties of ${\rm Cap}_{\omega,m}$ follow directly from the definition: ###### Proposition 4.1. (i) If $E_{1}\subset E_{2}\subset X$ then ${\rm Cap}_{\omega,m}(E_{1})\leq{\rm Cap}_{\omega,m}(E_{2})$ . (ii) If $E_{1},E_{2},\cdots$ are Borel subsets of $X$ then ${\rm Cap}_{\omega,m}\left(\bigcup_{j=1}^{\infty}E_{j}\right)\leq\sum_{j=1}^{+\infty}{\rm Cap}_{\omega,m}(E_{j}).$ (iii) If $E_{1}\subset E_{2}\subset\cdots$ are Borel subsets of $X$ then ${\rm Cap}_{\omega,m}\left(\bigcup_{j=1}^{\infty}E_{j}\right)=\lim_{j\to+\infty}{\rm Cap}_{\omega,m}(E_{j}).$ For each Borel subset $E$ set $h_{m,E}:=\sup\\{u\in\mathcal{SH}_{m}(X,\omega)\ \big{|}\ u\leq-1\ {\rm on}\ E\ {\rm and}\ u\leq 0\ {\rm on}\ X\\}.$ Let $h^{*}_{m,E}$ be the upper semicontinuous regularization of $h_{m,E}$. We call it the relative $m$-extremal function of $E$. ###### Theorem 4.2. Let $E$ be any Borel subset of $X$ and denote by $h_{E}$ the relative $m$-extremal function of $E$. Then $h_{E}$ is a bounded $(\omega,m)$-subharmonic function. Its Hessian measure vanishes on the open subset $\\{h_{E}<0\\}\setminus\bar{E}$. ###### Proof. The first statement is obvious. The second statement follows from the standard balayage argument since it follows from [36] that we can locally solve the Dirichlet problem on any small ball. ∎ The following convergence result can be proved in the same way as in [28]. ###### Lemma 4.3. Let $(\varphi_{j}^{k})_{j=1}^{+\infty}$ be a uniformly bounded sequence of $(\omega,m)$-sh functions for $k=1,...,m$, which increases almost everywhere to $\varphi^{1},...,\varphi^{m}\in\mathcal{SH}_{m}(X,\omega)$ respectively. Then $u(\omega+dd^{c}\varphi_{j}^{1})\wedge(\omega+dd^{c}\varphi_{j}^{2})\wedge...\wedge(\omega+dd^{c}\varphi_{j}^{m})\wedge\omega^{n-m}$ converges weakly in the sense of Radon measures to $u(\omega+dd^{c}\varphi^{1})\wedge(\omega+dd^{c}\varphi^{2})\wedge...\wedge(\omega+dd^{c}\varphi^{m})\wedge\omega^{n-m},$ for every quasi-continuous function $u$. ###### Lemma 4.4. Let $\mathcal{U}$ be a family of $(\omega,m)$-sh functions which are uniformly bounded from above. Define $\varphi(z):=\sup\\{u(z)\ \big{|}\ u\in\mathcal{U}\\}.$ Then the Borel subset $\\{\varphi<\varphi^{*}\\}$ has zero Hessian $m$-capacity. ###### Proof. By Choquet’s lemma we can find a sequence $(\varphi_{j})\subset\mathcal{U}$ which increases to $\varphi$. Step 1: Assume that $u\in\mathcal{SH}_{m}(X,\omega)$ and $-1\leq u\leq 0$. We prove by induction on $m$ that (4.1) $\lim_{j\to+\infty}\int_{X}\varphi_{j}H_{m}(u)=\int_{X}\varphi^{*}H_{m}(u).$ The result holds for $m=0$ since $\varphi=\varphi^{*}$ almost everywhere (with respect to the Lebesgue measure). Assume that it holds for $k=1,...,m-1$. By setting $T:=(\omega+dd^{c}u)^{m-1}\wedge\omega^{n-m}$ and integrating by parts we get $\displaystyle\int_{X}\varphi_{j}H_{m}(u)$ $\displaystyle=$ $\displaystyle\int_{X}\varphi_{j}H_{m-1}(u)+\int_{X}\varphi_{j}dd^{c}u\wedge T$ $\displaystyle=$ $\displaystyle\int_{X}\varphi_{j}H_{m-1}(u)+\int_{X}udd^{c}\varphi_{j}\wedge T$ $\displaystyle=$ $\displaystyle\int_{X}\varphi_{j}H_{m-1}(u)+\int_{X}u(\omega+dd^{c}\varphi_{j})\wedge T-\int_{X}uH_{m-1}(u).$ Since $u$ is quasi-continuous on $X$, by letting $j\to+\infty$ and using Lemma 4.3 and using the induction hypothesis we obtain $\displaystyle\lim_{j\to+\infty}\int_{X}\varphi_{j}H_{m}(u)$ $\displaystyle=$ $\displaystyle\int_{X}\varphi^{*}H_{m-1}(u)+\int_{X}u(\omega+dd^{c}\varphi^{*})\wedge T-\int_{X}uH_{m-1}(u)$ $\displaystyle=$ $\displaystyle\int_{X}\varphi^{*}H_{m}(u).$ Step 2: Since ${\rm Cap}_{\omega,m}$ is $\sigma$-subadditive, it suffices to prove that for each pair $(\alpha,\beta)$ of rational numbers such that $\alpha<\beta$ the compact subset $K_{\alpha,\beta}:=\\{x\in X\ \big{|}\ \varphi(x)\leq\alpha<\beta\leq\varphi^{*}\\}$ has zero Hessian $m$-capacity. This is an easy consequence of Step 1. The proof is thus complete. ∎ The outer Hessian $m$-capacity of a Borel subset $E$ is defined by ${\rm Cap}_{\omega,m}^{*}(E):=\inf\left\\{{\rm Cap}_{\omega,m}(U)\ \big{|}\ E\subset U\subset X,\ U\ {\rm is\ open\ in}\ X\right\\}.$ The following properties of ${\rm Cap}_{\omega,m}^{*}$ follow directly from the definition: ###### Proposition 4.5. (i) If $E_{1}\subset E_{2}\subset X$ then ${\rm Cap}_{\omega,m}^{*}(E_{1})\leq{\rm Cap}_{\omega,m}^{*}(E_{2})$ . (ii) If $E_{1},E_{2},\cdots$ are Borel subsets of $X$ then ${\rm Cap}_{\omega,m}^{*}\left(\bigcup_{j=1}^{\infty}E_{j}\right)\leq\sum_{j=1}^{+\infty}{\rm Cap}_{\omega,m}^{*}(E_{j}).$ Now we give a formula for the outer Hessian $m$-capacity of any Borel subset of $X$ in terms of its relative $m$-extremal function. ###### Theorem 4.6. Let $E\subset X$ be a Borel subset and $h$ denote the relative $m$-extremal function of $E$. Then the outer Hessian $m$-capacity of $E$ is given by ${\rm Cap}_{\omega,m}^{*}(E)=\int_{X}(-h)H_{m}(h).$ The Hessian $m$-capacity satisfies the following continuity properties: (i) If $(E_{j})_{j\geq 0}$ is an increasing sequence of arbitrary subsets of $X$ and $E:=\cup_{j\geq 0}E_{j}$ then ${\rm Cap}_{\omega,m}^{*}(E)=\lim_{j\to+\infty}{\rm Cap}_{\omega,m}^{*}(E_{j}).$ (ii) If $(K_{j})_{j\geq 0}$ is a decreasing sequence of compact subsets of $X$ and $K:=\cap_{j\geq 0}K_{j}$ $\lim_{j\to+\infty}{\rm Cap}_{\omega,m}^{*}(K_{j})={\rm Cap}_{\omega,m}^{*}(K)={\rm Cap}_{\omega,m}(K).$ In particular, ${\rm Cap}_{\omega,m}^{*}$ is an outer regular Choquet capacity and we have ${\rm Cap}_{\omega,m}^{*}(B)={\rm Cap}_{\omega,m}(B)$ for every Borel set $B$. ###### Proof. It follows from Lemma 4.4 that the subset $\\{h>-1\\}\cap E$ has zero Hessian $m$-capacity. Thus we can copy from lines to lines the proof of Theorem 4.2 in [20]. For the last statement let us briefly recall the arguments in [6]. Since ${\rm Cap}_{\omega,m}^{*}$ is an (outer regular) Choquet capacity it then follows from Choquet’s capacitability theorem that ${\rm Cap}_{\omega,m}^{*}$ is also inner regular on Borel sets. We thus get ${\rm Cap}_{\omega,m}(B)\leq{\rm Cap}_{\omega,m}^{*}(B)=\sup_{K\subset B}{\rm Cap}_{\omega,m}^{*}(K)=\sup_{K\subset B}{\rm Cap}_{\omega,m}(K)={\rm Cap}_{\omega,m}(B).$ ∎ ###### Definition 4.7. Let $E$ be a Borel subset of $X$. The global $(\omega,m)$-subharmonic extremal function of $E$ is $V^{*}_{m,E}$, where $V_{m,E}:=\sup\left\\{u\in\mathcal{SH}_{m}(X,\omega)\ \big{|}\ u\leq 0\ {\rm on}\ E\right\\}.$ ###### Definition 4.8. A subset $E\subset X$ is called $m$-polar if ${\rm Cap}_{\omega,m}^{*}(E)=0$. ###### Lemma 4.9. If $E\subset\\{\varphi=-\infty\\}$ for some $\varphi\in\mathcal{SH}_{m}(X,\omega)$ then $E$ is $m$-polar. ###### Proof. It is easy to see that the relative $m$-extremal function of $E$ is $0$. Then the result is obtained by invoking Theorem 4.6. ∎ We now prove the Josefson theorem for $(\omega,m)$-sh functions which generalize [20, Theorem 7.2]. Let us stress that our proof is more direct without using the local capacity which has not been available yet. Recall that a local $m$-capacity has been studied in [37] and [32] where the metric is flat. For a general Kähler metric we believe that similar study can be done. ###### Theorem 4.10. If ${\rm Cap}_{\omega,m}^{*}(E)=0$ then $E\subset\\{\varphi=-\infty\\}$ for some $\varphi\in\mathcal{SH}_{m}(X,\omega)$. ###### Proof. Without loss of generality we can assume that $\bar{E}\neq X$. Observe that ${\rm Cap}_{\theta,m}^{*}(E)=0$ for any Kähler form $\theta$ since we have $C^{-1}\omega\leq\theta\leq C\omega$ for some positive constant $C$. Let $V:=V^{*}_{m,E}$ be the global $m$-extremal function of $E$. We prove that $V\equiv+\infty$. Assume by contradiction that it is not the case. Then $V$ is a bounded $(\omega,m)$-sh function on $X$. Using a balayage argument as in the proof of Theorem 4.2 we can prove that $H_{m}(V)$ vanishes on $X\setminus\bar{E}$. Thus $V$ can not be constant. Let $M=\sup_{X}V<+\infty$. We claim that $\psi:=(V-M)/M$ is the relative $(\theta,m)$-extremal function of $E$ with $\theta=\omega/M$. Indeed, let $u$ be any non-positive $(\theta,m)$-sh function on $X$ such that $u\leq-1$ on $E$. Then $M(u+1)$ is a $(\omega,m)$-sh function on $X$ which is non-positive on $E$. By definition of the global $(\omega,m)$-sh extremal function we deduce that $M(u+1)\leq V$, which implies what we have claimed. Now, since ${\rm Cap}_{\theta,m}^{*}(E)=0$ it follows from Theorem 4.6 that $\int_{\\{\psi<0\\}}H_{m}(\psi)=0.$ This coupled with the comparison principle reveal that $\psi=0$ which implies that $V\equiv M$. The latter is a contradiction since $H_{m}(V)$ vanishes on the open non-empty set $X\setminus\bar{E}$. Therefore, $V_{m,E}$ is not bounded from above. We then can find a sequence $(\varphi_{j})\subset\mathcal{SH}_{m}(X,\omega)$ such that $\varphi_{j}\equiv 0$ on $E$ and $\sup_{X}\varphi_{j}\geq 2^{j}$. Consider $\varphi:=\sum_{j=1}^{+\infty}2^{-j}(\varphi_{j}-\sup_{X}\varphi_{j}).$ Then since $\varphi_{j}=0$ on $E$ it is easy to see that $\varphi=-\infty$ on $E$. It follows from Hartogs’ lemma (see [30]) that $\int_{X}(u-\sup_{X}u)\ \omega^{n}\geq-C,\ \ \forall u\in\mathcal{SH}_{m}(X,\omega),$ for some positive constant $C$. It follows that $\varphi$ is not identically $-\infty$. Hence $\varphi\in\mathcal{SH}_{m}(X,\omega)$ satisfies our requirement. ∎ ## 5\. Energy classes For convenience we rescale $\omega$ so that $\int_{X}\omega^{n}=1$. It follows from Corollary 3.3 that $\mathcal{SH}_{m}(X,\omega)=\mathcal{P}_{m}(X,\omega)$. Therefore the complex Hessian operator is well-defined for any bounded $(\omega,m)$-sh function. We will follow [21] to extend the definition of $H_{m}$ to unbounded $(\omega,m)$-sh functions. Almost all results about the weighted energy classes $\mathcal{E}_{\chi}(X,\omega)$ can be extended without effort to the corresponding classes of $(\omega,m)$-subharmonic functions. For this reason we only state the result without proof. Let $\varphi\in\mathcal{SH}_{m}(X,\omega)$ and denote by $\varphi_{j}$ the canonical approximation of $\varphi$ by bounded functions, i.e. $\varphi_{j}:=\max(\varphi,-j)$. It follows from the comparison principle (see [30]) that ${\bf 1}_{\\{\varphi>-j\\}}H_{m}(\varphi_{j})$ is a non-decreasing sequence of positive Borel measures on $X$. We define $H_{m}(\varphi)$ to be its limit. Note that the total mass of $H_{m}(\varphi)$ varies from $0$ to $1$ and it does not charge $m$-polar sets. ###### Definition 5.1. We let $\mathcal{E}(X,\omega,m)$ denote the class of $(\omega,m)$-sh functions having full Hessian mass, i.e. $\mathcal{E}(X,\omega,m):=\left\\{u\in\mathcal{SH}_{m}(X,\omega)\ \big{|}\ \int_{X}H_{m}(u)=1\right\\}.$ ###### Lemma 5.2. A function $u\in\mathcal{SH}_{m}(X,\omega)$ belongs to $\mathcal{E}(X,\omega,m)$ if and only if $\lim_{j\to+\infty}\int_{\\{u\leq-j\\}}H_{m}(\max(u,-j))=0.$ The sequence $H_{m}(\max(\varphi,-j))$ converges to $H_{m}(\varphi)$ in the sense of Borel measures, i.e. for any Borel subset $E\subset X$, $\lim_{j\to+\infty}\int_{E}H_{m}(\max(\varphi,-j))=\int_{E}H_{m}(\varphi).$ ###### Definition 5.3. Let $\chi$ be an increasing function $\mathbb{R}^{-}\to\mathbb{R}^{-}$ such that $\chi(0)=0$ and $\chi(-\infty)=-\infty$. We let $\mathcal{E}_{\chi}(X,\omega,m)$ denote the class of functions $\varphi$ in $\mathcal{E}(X,\omega,m)$ such that $\chi\circ\varphi$ is integrable with respect to $H_{m}(\varphi)$. When $\chi(t)=-(-t)^{p}$, $p>0$ we use the notation $\mathcal{E}_{m}^{p}(X,\omega)$ $\mathcal{E}^{p}(X,\omega,m):=\left\\{u\in\mathcal{E}(X,\omega,m)\ \big{|}\ \int_{X}|u|^{p}H_{m}(u)<+\infty\right\\}.$ ###### Lemma 5.4. Let $\varphi\in\mathcal{E}(X,\omega,m)$ and $h:\mathbb{R}^{+}\rightarrow\mathbb{R}^{+}$ be a continuous increasing function such that $h(+\infty)=+\infty$. Then $\int_{X}h\circ|\varphi|H_{m}(\varphi)<+\infty\Longleftrightarrow\sup_{j\geq 0}\int_{X}h\circ|\varphi_{j}|H_{m}(\varphi_{j})<+\infty,$ where $\varphi_{j}:=\max(\varphi,-j)$. ###### Lemma 5.5. If $\varphi\in\mathcal{E}(X,\omega,m)$ and $\varphi\leq 0$ there exists a convex increasing function $\chi:\mathbb{R}^{-}\rightarrow\mathbb{R}^{-}$ such that $\chi(-\infty)=0$ and $\varphi\in\mathcal{E}_{\chi}(X,\omega,m)$. ###### Theorem 5.6. Let $\varphi\in\mathcal{SH}_{m}(X,\omega)$ be such that $\sup_{X}\varphi\leq-1$. Let $\chi:\mathbb{R}^{-}\rightarrow\mathbb{R}^{-}$ be a smooth convex increasing function such that $\chi^{\prime}(-1)\leq 1$ and $\chi^{\prime}(-\infty)=0$. Then $\chi\circ\varphi\in\mathcal{E}(X,\omega,m)$. The maximum principle and the comparison principle hold for $\mathcal{E}(X,\omega,m)$: ###### Theorem 5.7. Let $\varphi,\psi$ be two functions in $\mathcal{E}(X,\omega,m)$. Then ${\bf 1}_{\\{\varphi<\psi\\}}H_{m}(\max(\varphi,\psi))={\bf 1}_{\\{\varphi<\psi\\}}H_{m}(\psi)$ and $\int_{\\{\varphi<\psi\\}}H_{m}(\psi)\leq\int_{\\{\varphi<\psi\\}}H_{m}(\varphi).$ ###### Proposition 5.8. Assume that $\varphi,\psi\in\mathcal{E}(X,\omega,m)$ such that $H_{m}(\varphi)\geq\mu$ and $H_{m}(\psi)\geq\mu$ for some positive Borel measure $\mu$ on $X$. Then $H_{m}(\max(\varphi,\psi))\geq\mu.$ ###### Theorem 5.9. Let $(\varphi_{j})$ be a monotone sequence of functions in $\mathcal{E}(X,\omega,m)$ converging to $\varphi\in\mathcal{E}(X,\omega,m)$. Then $H_{m}(\varphi_{j})$ converges weakly to $H_{m}(\varphi)$. ###### Proposition 5.10. The set $\mathcal{E}(X,\omega,m)$ is convex. It is stable under the max operation: if $\varphi,\psi\in\mathcal{SH}_{m}(X,\omega)$ are such that $\varphi\leq\psi$ and $\varphi\in\mathcal{E}(X,\omega,m)$, then $\psi\in\mathcal{E}(X,\omega,m)$. When $m=n$, the class $\mathcal{E}(X,\omega,n)$ is exactly $\mathcal{E}(X,\omega)$, the class of $\omega$-psh functions having full Monge-Ampère mass, introduced and studied in [21]. One can follow the lines in [14] to prove the ”partial comparison principle”: ###### Lemma 5.11. Let $T$ be a positive current of type $T=(\omega+dd^{c}\phi_{1})\wedge\cdots\wedge(\omega+dd^{c}\phi_{k})\wedge\omega^{n-m},\ \ k<m,$ where the $\phi_{j}$’s are functions in $\mathcal{E}(X,\omega,m)$. Let $u,v\in\mathcal{E}(X,\omega,m)$. Then $\int_{\\{u<v\\}}(\omega+dd^{c}v)^{m-k}\wedge T\leq\int_{\\{u<v\\}}(\omega+dd^{c}u)^{m-k}\wedge T.$ ###### Theorem 5.12. $\mathcal{E}(X,\omega,n)\subset\mathcal{E}(X,\omega,n-1)\subset\cdots\subset\mathcal{E}(X,\omega,1)$. ###### Proof. Fix $p<m$ and $\varphi\in\mathcal{E}(X,\omega,m)$. Let $\varphi_{j}:=\max(\varphi,-j)$ be the canonical approximation sequence of $\varphi$. We are to prove that $\int_{\\{\varphi>-j\\}}H_{m-1}(\varphi_{j})\longrightarrow 1.$ From the partial comparison principle above we get $\int_{\\{\varphi_{j}>-j\\}}(\omega+dd^{c}\varphi_{j})^{p}\wedge\omega^{m-p}\wedge\omega^{n-m}\geq\int_{\\{\varphi_{j}>-j\\}}(\omega+dd^{c}\varphi_{j})^{p}\wedge(\omega+dd^{c}\varphi_{j})^{m-p}\wedge\omega^{n-m}.$ From this and since $\varphi\in\mathcal{E}(X,\omega,m)$ we get the conclusion. ∎ ###### Example 5.13. Let $z$ be a local coordinate of $X$ and consider $\varphi:=\varepsilon\theta\log|z|,$ where $\theta$ is a cut-off function and $\varepsilon>0$ is a very small constant so that $\varphi\in\mathcal{SH}_{m}(X,\omega)$. Then $\varphi\in\mathcal{E}(X,\omega,m)$ for any $m<n$ but $\varphi\notin\mathcal{E}(X,\omega,n)$. ## 6\. The variational method The variational method has first introduced in [6] to solve degenerate complex Monge-Ampère equations on compact Kähler manifolds. A local version of this approach has been developed in [2]. Due to some similar structure one expects that this method can also be applied for the complex Hessian equation. In the local setting with a standard Kähler metric the first-named author [32] has used this method to solve degenerate complex Hessian equations in $m$-hyperconvex domains of $\mathbb{C}^{n}$. To make it available for the compact setting the principal steps are: first to smoothly regularize singular $(\omega,m)$-sh functions and then to prove an othorgonal relation. Both of them have been proved in Section 3. In the sequel we briefly recall the techniques of [6]. Most of the proof will be omitted due to similarity and repetition. ### 6.1. The energy functional ###### Definition 6.1. Let $\varphi$ be a bounded $(\omega,m)$-sh function on $X$. We define $E(\varphi):=\frac{1}{m+1}\sum_{k=0}^{m}\int_{X}\varphi(\omega+dd^{c}\varphi)^{k}\wedge\omega^{n-k}$ to be the energy of $\varphi$. For any $u\in\mathcal{SH}_{m}(X,\omega)$ the energy of $u$ is defined by $E(u):=\inf\left\\{E(\varphi)\ \big{|}\ \varphi\in\mathcal{SH}_{m}(X,\omega)\cap L^{\infty}(X),\ u\leq\varphi\right\\}.$ ###### Lemma 6.2. For any $\varphi\in\mathcal{E}^{1}(X,\omega,m)$ such that $\varphi\leq 0$ we have $\int_{X}\varphi H_{m}(\varphi)\leq E(\varphi)\leq\frac{1}{m+1}\int_{X}\varphi H_{m}(\varphi).$ The class $\mathcal{E}^{1}(X,\omega,m)$ consists of finite energy $(\omega,m)$-subharmonic functions. If $(\varphi_{j})$ is a sequence in $\mathcal{E}^{1}(X,\omega,m)$ decreasing to $\varphi$ such that $\inf_{j}E(\varphi_{j})>-\infty$ then $\varphi\in\mathcal{E}^{1}(X,\omega,m)$ and $E(\varphi)=\lim_{j\to+\infty}E(\varphi_{j})$ ###### Lemma 6.3. The functional $E$ is a primitive of the complex Hessian operator. More precisely, whenever $\varphi+tv$ belongs to $\mathcal{E}^{1}(X,\omega,m)$ for small $t$, $\frac{dE(\varphi+tv)}{dt}|_{t=0}=\int_{X}vH_{m}(\varphi).$ The functional $E$ is concave increasing, satisfies $E(\varphi+c)=E(\varphi)+c$ for all $c\in\mathbb{R},\varphi\in\mathcal{E}^{1}(X,\omega,m)$ , and the cocycle condition $E(\varphi)-E(\psi)=\frac{1}{m+1}\sum_{j=0}^{m}\int_{X}(\varphi-\psi)(\omega+dd^{c}\varphi)^{j}\wedge(\omega+dd^{c}\psi)^{m-j}\wedge\omega^{n-m},$ for all $\varphi,\psi\in\mathcal{E}^{1}(X,\omega,m)$. Moreover, $\int_{X}(\varphi-\psi)H_{m}(\varphi)\leq E(\varphi)-E(\psi)\leq\int_{X}(\varphi-\psi)H_{m}(\psi).$ ###### Proof. The proof is a trivial adaptation of [6]. ∎ ###### Lemma 6.4. The functional $E$ is upper semicontinuous with respect to the $L^{1}$ topology on $\mathcal{SH}_{m}(X,\omega)$. ###### Proof. Assume that $(\varphi_{j})$ is a sequence in $\mathcal{SH}_{m}(X,\omega)$ converging to $\varphi\in\mathcal{SH}_{m}(X,\omega)$ in $L^{1}$. We are to prove that $\limsup_{j\to+\infty}E(\varphi_{j})\leq E(\varphi).$ If the limsup is $-\infty$ there is nothing to do. Thus we can assume that $E(\varphi_{j})$ is uniformly bounded from below. Then since $E(\varphi_{j})\leq\int_{X}\varphi_{j}\omega^{n}$ the sequence $(\varphi_{j})$ stays in a compact subsets of $\mathcal{SH}_{m}(X,\omega)$. Assume that $\varphi_{j}\rightarrow\varphi\in\mathcal{SH}_{m}(X,\omega)$ in $L^{1}(X)$. Set $\psi_{j}:=(\sup_{k\geq j}\varphi_{k})^{*}.$ Then $\psi_{j}$ decreases to $\varphi$. Since $E$ is increasing we get a uniform lower bound for $E(\psi_{j})$. Thus $\varphi$ belongs to $\mathcal{E}(X,\omega,m)$ and $E(\varphi)=\lim_{j\to+\infty}E(\psi_{j})\geq\limsup_{j\to+\infty}E(\varphi_{j}).$ ∎ ###### Lemma 6.5. For each $C>0$ the set $\mathcal{E}^{1}_{C}(X,\omega,m):=\\{\varphi\in\mathcal{E}^{1}(X,\omega,m)\ \big{|}\ \sup_{X}\varphi\leq 0,\ E(\varphi)\geq-C\\}$ is a compact convex subset of $\mathcal{SH}_{m}(X,\omega)$. ###### Proof. The convexity of $\mathcal{E}^{1}_{C}(X,\omega,m)$ follows from the concavity of $E$. The compactness follows from the upper semicontinuity of $E$. ∎ The following volume-capacity estimate is due to Dinew and Kołodziej [15]: ###### Lemma 6.6. Let $1<p<\frac{n}{n-m}.$ There exists a constant $C=C(p,\omega)$ such that for every Borel subset $K$ of $X$, we have $V(K)\leq C\cdot{\rm Cap}_{\omega,m}(K)^{p},$ where $V(K):=\int_{K}\omega^{n}$. ###### Corollary 6.7. Let $\varphi\in\mathcal{SH}_{m}(X,\omega)$. Then $\varphi\in L^{p}(X,\omega^{n})$ for any $p<\frac{n}{n-m}$. ###### Proof. We can assume that $\sup_{X}\varphi=1$. Fix $p<n/(n-m)$ and $q$ such that $p<q<n/(n-m)$. It follows from [30, Corollary 3.19] and the previous volume- capacity estimate that $\displaystyle\int_{X}(-\varphi)^{p}\omega^{n}$ $\displaystyle=$ $\displaystyle 1+p\int_{1}^{+\infty}t^{p-1}V(\varphi<-t)dt$ $\displaystyle\leq$ $\displaystyle 1+C_{q}p\int_{1}^{+\infty}t^{p-1}\left[{\rm Cap}_{\omega,m}(\varphi<-t)\right]^{q}dt$ $\displaystyle\leq$ $\displaystyle 1+C_{q}Cp\int_{1}^{+\infty}t^{p-q-1}dt<+\infty.$ ∎ One expects that Corollary 6.7 holds for any $p<\frac{nm}{n-m}$. In the local context where $\omega$ is the standard Kähler metric, it was known as Błocki’s conjecture. ###### Lemma 6.8. Fix $\varphi\in\mathcal{SH}_{m}(X,\omega)$. If $\int_{0}^{+\infty}t^{m}{\rm Cap}_{\omega,m}(\varphi<-t)dt<+\infty$ then $\varphi\in\mathcal{E}^{1}(X,\omega,m)$. Conversely for each $C>0$, $\sup\left\\{\int_{0}^{+\infty}t{\rm Cap}_{\omega,m}(\varphi<-t)dt\ \big{|}\ \varphi\in\mathcal{E}_{m,C}^{1}(X,\omega)\right\\}<+\infty.$ ###### Proof. Fix $\varphi\in\mathcal{SH}_{m}(X,\omega)$. We can assume that $\sup_{X}\varphi=-1$. Observe that for $t\geq 1$, the function $1+t^{-1}\max(\varphi,−t)$ is $(\omega,m)$-sh with values in $[0,1]$, hence $H_{m}(\max(\varphi,-t))\leq t^{m}{\rm Cap}_{\omega,m}.$ Let us prove the first assertion. If $\int_{0}^{+\infty}t^{m}{\rm Cap}_{\omega,m}(\varphi<-t)dt<+\infty$ then in particular $t^{m}{\rm Cap}_{\omega,m}(\varphi<-t)$ converges to $0$ as $t\to+\infty$. This coupled with the above observation yields $\int_{\\{\varphi\leq-t\\}}H_{m}(\max(\varphi,-t))\longrightarrow 0,$ which implies that $\varphi\in\mathcal{E}(X,\omega,m)$. Now by the comparison principle $H_{m}(\max(\varphi,-t))$ coincides with $H_{m}(\varphi)$ on the Borel set $\\{\varphi>-t\\}$. We thus get $\displaystyle\int_{X}(-\varphi)H_{m}(\varphi)$ $\displaystyle=$ $\displaystyle 1+\int_{1}^{+\infty}H_{m}(\varphi)(\varphi\leq-t)dt$ $\displaystyle=$ $\displaystyle 1+\int_{1}^{+\infty}\left[1-H_{m}(\varphi)(\varphi>-t)\right]dt$ $\displaystyle=$ $\displaystyle 1+\int_{1}^{+\infty}\left[1-H_{m}(\max(\varphi,-t))(\varphi>-t)\right]dt$ $\displaystyle\leq$ $\displaystyle 1+\int_{1}^{+\infty}H_{m}(\max(\varphi,-t))(\varphi\leq-t))dt$ $\displaystyle\leq$ $\displaystyle 1+\int_{1}^{+\infty}{\rm Cap}_{\omega,m}(\varphi\leq-t)dt$ $\displaystyle<$ $\displaystyle+\infty,$ which yields $\varphi\in\mathcal{E}(X,\omega,m)$. We now prove the second assertion. The proof is slightly different from the classical Monge-Ampère equation due to a lack of integrability (it is not very clear that $\int_{X}\varphi^{2}\omega^{n}<+\infty$). Fix $u\in\mathcal{SH}_{m}(X,\omega)$ with values in $[-1,0]$. Observe that $(\varphi<-2t)\subset(t^{-1}\varphi<u-1)\subset(\varphi<-t).$ It follows from the comparison principle that $\int_{\\{\varphi<-2t\\}}H_{m}(u)\leq\int_{\\{\varphi<-t\\}}H_{m}(t^{-1}\varphi).$ Expanding $H_{m}(t^{-1}\varphi)\leq(t^{-1}(\omega+dd^{c}\varphi)+\omega)^{m}\wedge\omega^{n-m}$ yields $\int_{2}^{+\infty}t{\rm Cap}_{\omega,m}(\varphi<-t)=4\int_{1}^{+\infty}t{\rm Cap}_{\omega,m}(\varphi<-2t)dt\\\ \leq 4\int_{1}^{+\infty}t{\rm Vol}(\varphi<-t)dt+4\sum_{j=1}^{m}\binom{m}{j}\int_{X}(-\varphi)\omega_{\varphi}^{j}\wedge\omega^{n-j}.$ The last term is finite and uniformly bounded in $\varphi\in\mathcal{E}^{1}_{C}(X,\omega,m)$. Fix $1<p<\frac{n}{n-m}$ and $0<\gamma<1$. Using Hölder inequality we get $\int_{1}^{+\infty}t{\rm Vol}(\varphi<-t)dt=\int_{1}^{+\infty}t{\rm Vol}(\varphi<-t)^{\gamma}{\rm Vol}(\varphi<-t)^{1-\gamma}dt\\\ \leq\left[\int_{1}^{+\infty}t{\rm Vol}(\varphi<-t)^{q\gamma}dt\right]^{1/q}\left[\int_{1}^{+\infty}t{\rm Vol}(\varphi<-t)^{r(1-\gamma)}dt\right]^{1/r}\\\ \leq A\left[\int_{1}^{+\infty}t{\rm Cap}_{\omega,m}(\varphi<-t)^{pq\gamma}dt\right]^{1/q}\left[\int_{1}^{+\infty}t{\rm Cap}_{\omega,m}(\varphi<-t)^{pr(1-\gamma)}dt\right]^{1/r}\\\ \leq A\left[\int_{1}^{+\infty}t{\rm Cap}_{\omega,m}(\varphi<-t)dt\right]^{1/q}\left[\int_{1}^{+\infty}t^{1-pr(1-\gamma)}dt\right]^{1/r}.$ Here, $1/q+1/r=1$ and we have chosen $\gamma$ so that $pq\gamma=1$ and $pr(1-\gamma)>2$. Such a choice is always possible. The constant $A$ is also uniform in $\varphi\in\mathcal{E}^{1}_{C}(X,\omega,m)$ since $\sup_{X}\varphi\geq E(\varphi)\geq-C$ and ${\rm Cap}_{\omega,m}(u<-t)\leq C/t$ for a uniform constant $C$ as follows from [30]. By considering $\varphi_{j}:=\max(\varphi,-j)$ and applying what we have done so far we get $C_{j}\leq A\cdot C_{j}^{1/q}+B,$ where $C_{j}:=\int_{1}^{+\infty}t{\rm Cap}_{\omega,m}(\varphi_{j}<-t)$ and $A,B$ are universal constant. Letting $j\to+\infty$ we get the result. ∎ ### 6.2. Upper semicontinuity Let $\mu$ be a probability measure on $X$. The functional $\mathcal{F}_{\mu}$ is defined by $\mathcal{F}_{\mu}(\varphi):=E(\varphi)-\int_{X}\varphi d\mu.$ ###### Lemma 6.9. Let $\mu$ be a probability measure which does not charge $m$-polar sets. Let $(u_{j})\subset\mathcal{SH}_{m}(X,\omega)$ be a sequence which converges in $L^{1}(X)$ towards $u\in\mathcal{SH}_{m}(X,\omega)$. If $\sup_{j\geq 0}\int_{X}u_{j}^{2}d\mu<+\infty$ then $\int_{X}u_{j}d\mu\longrightarrow\int_{X}ud\mu.$ ###### Proof. Since $\int_{X}u_{j}d\mu$ is bounded it suffices to prove that every cluster point is $\int_{X}ud\mu.$ Without loss of generality we can assume that $\int_{X}u_{j}d\mu$ converges. Since the sequence $u_{j}$ is bounded in $L^{2}(\mu)$, one can apply Banach-Saks theorem to extract a subsequence (still denoted by $u_{j}$) such that $\varphi_{N}:=\frac{1}{N}\sum_{j=1}^{N}u_{j}$ converges in $L^{2}(\mu)$ and $\mu$-almost everywhere to $\varphi.$ Observe also that $\varphi_{N}\to u$ in $L^{1}(X)$. For each $j\in\mathbb{N}$ set $\psi_{j}:=(\sup_{k\geq j}\varphi_{k})^{*}.$ Then $\psi_{j}\downarrow u$ in $X$. But $\mu$ does not charge the $m$-polar set $\left\\{(\sup_{k\geq j}\varphi_{k})^{*}>\sup_{k\geq j}\varphi_{k}\right\\}.$ We thus get $\psi_{j}=\sup_{k\geq j}\varphi_{k}$ $\mu$-almost everywhere. Therefore, $\psi_{j}$ converges to $\varphi$ $\mu$-almost everywhere hence $u=\varphi$ $\mu$-almost everywhere. This yields $\lim_{j}\int_{X}u_{j}d\mu=\lim_{j}\int_{X}\varphi_{j}d\mu=\int_{X}ud\mu.$ ∎ ###### Lemma 6.10. Let $\mu$ be a probability measure on $X$ such that $\mu(K)\leq A{\rm Cap}_{\omega,m}(K),\ \forall K\subset X,$ for some positive constant $A$. Then the functional $\mathcal{F}_{\mu}$ is upper semicontinuous on each compact subset $\mathcal{E}^{1}_{C}(X,\omega,m)$, $C>0$. ###### Proof. Let $(\varphi_{j})$ be a sequence in $\mathcal{E}^{1}_{C}(X,\omega,m)$ converging in $L^{1}(X)$ to $\varphi\in\mathcal{E}^{1}_{C}(X,\omega,m)$. We can assume that $\varphi_{j}\leq 0$. It follows from Lemma 6.8 that $\int_{X}(-\varphi_{j})^{2}d\mu\leq 2\int_{0}^{+\infty}t\mu(\varphi_{j}<-t)dt\leq 2A\int_{0}^{+\infty}t{\rm Cap}_{\omega,m}(\varphi_{j}<-t)dt\leq 2AC^{\prime},$ for a positive constant $C^{\prime}$. From Lemma 6.9 we thus get $\int_{X}\varphi_{j}d\mu\longrightarrow\int_{X}\varphi d\mu.$ This coupled with the upper semicontinuity of $E$ yield the result. ∎ ###### Definition 6.11. We say that the functional $\mathcal{F}_{\mu}$ is proper if whenever $\varphi_{j}\in\mathcal{E}^{1}(X,\omega,m)$ are such that $E(\varphi_{j})\rightarrow-\infty$ and $\int_{X}\varphi_{j}=0$ then $\mathcal{F}_{\mu}(\varphi_{j})\to-\infty$. ###### Lemma 6.12. Let $\mu$ be a probability measure on $X$ such that $\mathcal{E}^{1}_{C}(X,\omega,m)\subset L^{1}(\mu)$. The functional $\mathcal{F}_{\mu}$ is proper: there exists $C>0$ such that for all $\varphi\in\mathcal{E}^{1}(X,\omega,m)$ with $\int_{X}\varphi\omega^{n}=0$ we have $\mathcal{F}_{\mu}(\varphi)\leq E(\varphi)+C|E(\varphi)|^{1/2}.$ ###### Proof. Arguing by contradiction we can prove that $\sup\left\\{\int_{X}(-\psi)d\mu\ \big{|}\ \psi\in\mathcal{E}^{1}_{C}(X,\omega,m)\right\\}<+\infty,\forall C>0.$ Now we can repeat the arguments in [6]. ∎ ### 6.3. The projection theorem Let $f$ be an upper semicontinuous function on $X$. Recall that the projection of $f$ on $\mathcal{SH}_{m}(X,\omega)$ is defined by $P(f):=\sup\left\\{u\in\mathcal{SH}_{m}(X,\omega)\ \big{|}\ u\leq f\right\\}.$ ###### Lemma 6.13. Let $u,v$ be continuous function on $X$. Then $E\circ P(u+v)-E\circ P(u)=\int_{0}^{1}\left[\int_{X}vH_{m}(P(u+tv))\right]dt.$ ###### Proof. One could prove the lemma by following [5]. But we give here a slightly different (and simpler) proof using the same ideas. Observe that it is equivalent to showing that (6.1) $\frac{dE\circ P(u+tv)}{dt}\big{|}_{t=0}=\int_{X}vH_{m}(P(u)).$ By changing $v$ to $-v$ it suffices to take care of the right derivative. Fix $t>0$. It follows from Lemma 6.3 that $\displaystyle\int_{X}\frac{P(u+tv)-P(u)}{t}H_{m}(P(u+tv))$ $\displaystyle\leq$ $\displaystyle\frac{E\circ P(u+tv)-E(P(u))}{t}$ $\displaystyle\leq$ $\displaystyle\int_{X}\frac{P(u+tv)-P(u)}{t}H_{m}(P(u)).$ Since $\int_{X}(u-P(u))H_{m}(P(u))=0$ as follows from Theorem 1 the second inequality above yields the inequality ”$\leq$” in (6.1). On the other hand the first inequality above coupled with the orthogonal relation gives $\displaystyle\frac{E\circ P(u+tv)-E(P(u))}{t}$ $\displaystyle\geq$ $\displaystyle\int_{X}\frac{P(u+tv)-P(u)}{t}H_{m}(P(u+tv))$ $\displaystyle=$ $\displaystyle\int_{X}\frac{u+tv-P(u)}{t}H_{m}(P(u+tv))$ $\displaystyle\geq$ $\displaystyle\int_{X}vH_{m}(P(u+tv)).$ By letting $t\to 0^{+}$ we get the inequality ”$\geq$” in (6.1) since $H_{m}$ is continuous under uniform convergence. The proof is thus complete. ∎ ###### Theorem 6.14. Fix $\varphi\in\mathcal{E}^{1}(X,\omega,m)$ and $v\in\mathcal{C}(X,\mathbb{R})$. Then the function $t\mapsto E\circ P(\varphi+tv)$ is differentiable at zero, with $\frac{dE\circ P(\varphi+tv)}{dt}\big{|}_{t=0}=\int_{X}vH_{m}(\varphi).$ ###### Proof. As in the previous lemma it suffices to prove that $E\circ P(\varphi+v)-E\circ P(\varphi)=\int_{0}^{1}\left[\int_{X}vH_{m}(P(\varphi+tv))\right]dt,$ for every $\varphi\in\mathcal{E}^{1}(X,\omega,m)$ and $v\in\mathcal{C}(X,\mathbb{R})$. It follows from our approximation theorem (Theorem 2) that we can find a sequence of smooth $(\omega,m)$-sh functions decreasing to $\varphi$. By the continuity of $H_{m}$ we thus can assume that $\varphi$ is smooth. The result now follows from Lemma 6.13. ∎ ## 7\. Resolution of the degenerate complex Hessian equation Let $\mu$ be a probability measure on $X$ which does not charge $m$-polar sets. We study the following degenerate complex Hessian equation (7.1) $(\omega+dd^{c}\varphi)^{m}\wedge\omega^{n-m}=\mu.$ ###### Theorem 7.1. Let $\mu$ be a probability measure such that $\mu\leq A{\rm Cap}_{\omega,m}$ for some positive constant $A$ . If $\mathcal{F}_{\mu}$ is proper, then there exists $\varphi\in\mathcal{E}^{1}(X,\omega,m)$ which solves (7.1) and such that $\mathcal{F}_{\mu}(\varphi)=\sup_{\mathcal{E}^{1}(X,\omega,m)}\mathcal{F}_{\mu}.$ ###### Proof. The proof is a word-by-word copy of [6]. We recall the arguments below. Since $\mathcal{F}_{\mu}$ is invariant by translations and proper, we can find $C>0$ so large that $\sup_{\mathcal{E}^{1}(X,\omega,m)}\mathcal{F}_{\mu}=\sup_{\mathcal{E}^{1}_{C}(X,\omega,m)}\mathcal{F}_{\mu}.$ Recall that by definition $\mathcal{E}^{1}_{C}(X,\omega,m):=\\{\varphi\in\mathcal{E}^{1}(X,\omega,m)\ \big{|}\ \sup_{X}\varphi\leq 0,\ E(\varphi)\geq-C\\}$ is a compact convex subset of $\mathcal{SH}_{m}(X,\omega)$. It follows from Lemma 6.10 that $\mathcal{F}_{\mu}$ is upper semi-continuous on $\mathcal{E}^{1}_{C}(X,\omega,m)$, thus we can find $\varphi\in\mathcal{E}^{1}_{C}(X,\omega,m)$ which maximizes the functional $\mathcal{F}_{\mu}$ on $\mathcal{E}^{1}(X,\omega,m)$. Fix $v\in\mathcal{C}(X,\mathbb{R})$ an arbitrary continuous function on $X$ and consider $g(t):=E\circ P(\varphi+tv)-\int_{X}(\varphi+tv)d\mu,t\in\mathbb{R}.$ Then for every $t\in\mathbb{R}$, $g(t)\leq E\circ P(\varphi+tv)-\int_{X}P(\varphi+tv)d\mu=\mathcal{F}_{\mu}(P(\varphi+tv))\leq\mathcal{F}_{\mu}(\varphi)=g(0).$ Thus $g$ attains its maximum at $0$ and hence by differentiability of $g$ at $0$ we have $g^{\prime}(0)=0$ which implies $\int_{X}vd\mu=\int_{X}vH_{m}(\varphi).$ Since $v$ has been chosen arbitrarily the conclusion follows. ∎ ###### Theorem 7.2. Let $\mu$ be a probability measure on $X$. Then $\mathcal{E}^{1}(X,\omega,m)\subset L^{1}(\mu)$ if and only if $\mu=H_{m}(\varphi)$ for some $\varphi\in\mathcal{E}^{1}(X,\omega,m)$. ###### Proof. If $\mu=H_{m}(\varphi)$ for some $\varphi\in\mathcal{E}(X,\omega,m)$ then for any $\psi\in\mathcal{E}(X,\omega,m)$, $\int_{X}\psi H_{m}(\varphi)>-\infty,$ since by the comparison principle we can prove that (see [21, Proposition 2.5]) $\int_{X}\psi H_{m}(\varphi)\geq 2(m+1)(E(\varphi)+E(\psi))>-\infty.$ Assume now that $\mathcal{E}^{1}(X,\omega,m)\subset L^{1}(\mu)$. In particular, $\mu$ does not charge $m$-polar sets. Observe first that the set $\mathcal{M}:=\\{\nu\in\mathcal{P}(X)\ \big{|}\ \nu\leq{\rm Cap}_{\omega,m}\\},$ where $\mathcal{P}(X)$ is the space of probability measures on $X$, is a compact convex subset of $\mathcal{P}(X)$. Indeed, the convexity is clear while the compactness follows from the outer regularity of the $m$-capacity (see Theorem 4.6). Using [43], we project $\mu$ on this compact convex set (the original idea of this proof is due to Cegrell [11]) $\mu=f\nu+\sigma,$ where $\nu\in\mathcal{M}$, $0\leq f\in L^{1}(\nu)$ and $\sigma\perp\mathcal{M}$. Since $\mu$ vanishes on $m$-polar sets one has $\sigma\equiv 0$. Set $\mu_{j}:=c_{j}\min(f,j)\nu$ where $c_{j}$ is a normalization constant so that $\mu_{j}$ is a probability measure. Since $\mu_{j}\leq jc_{j}{\rm Cap}_{\omega,m}$ it follows from Theorem 7.1 that there exists $\varphi_{j}\in\mathcal{E}(X,\omega,m)$ such that $\mu_{j}=H_{m}(\varphi_{j})$. We normalize $\varphi_{j}$ so that $\sup_{X}\varphi_{j}=0$. We can also assume that $\varphi_{j}\rightarrow\varphi\in\mathcal{SH}_{m}(X,\omega)$ in $L^{1}(X)$. Now $|E(\varphi_{j})|\leq\int_{X}(-\varphi_{j})H_{m}(\varphi_{j})\leq c_{j}\int_{X}(-\varphi_{j})d\nu\leq C|E(\varphi_{j})|^{1/2},$ as follows from Lemma 6.12. It follows that $E(\varphi_{j})$ is uniformly bounded and hence $\varphi\in\mathcal{E}^{1}(X,\omega,m)$. Now consider $\phi_{j}:=(\sup_{k\geq j}\varphi_{k})^{*}.$ Then $\phi_{j}\downarrow\varphi$ and it follows from Proposition 5.8 that $H_{m}(\phi_{j})\geq\min(f,j)\nu.$ Hence $H_{m}(\varphi)\geq\mu$ whence equality since both of them are probability measures. ∎ ###### Theorem 7.3. Let $\mu$ be a probability measure on $X$ which does not charge $m$-polar sets. Then there exists $\varphi\in\mathcal{E}(X,\omega,m)$ such that $H_{m}(\varphi)=\mu$. ###### Proof. One can repeat the arguments in [6]. ∎ ### Concluding remarks The principal result of this paper is the regularization theorem. It is amazing that we can directly regularize any $(\omega,m)$-sh functions by solving appropriate complex Hessian equations. On the way to regularize singular functions we also proved the orthogonal relation is the second amazing thing. The classical method to prove such a thing is to use the balayage argument which is now possible thanks to the resolution of the corresponding local Dirichlet problem [36]. 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I. Abdullaev, Capacities and Hessians in a class of m-subharmonic functions, Trudy Matematicheskogo Instituta imeni V.A. Steklova, 2012, Vol. 279, pp. 166-192. * [38] J. Song, B. Weinkove, On the convergence and singularities of the J-flow with applications to the Mabuchi energy, Comm. Pure. Appl. Math. 61 (2008), 210-229. * [39] N. S. Trudinger, On the Dirichlet problem for Hessian equations, Acta Math. 175 (1995), 151-164. * [40] N. S. Trudinger, X.-J. Wang, Hessian measures II, Ann. of Math. 150 (1999), 579-604. * [41] V. Tosatti, Y. Wang, B. Weinkove, X. Yang, $C^{2,\alpha}$ estimates for nonlinear elliptic equations in complex and almost complex geometry, arXiv:1402.0554. * [42] J. Urbas, An interior second derivative bound for solutions of Hessian equations, Calc. Var. PDE (12) (2001), 417-431. * [43] J. Rainwater, A note on the preceding paper, Duke Math. J. 36 (1969) 799-800. * [44] S.-T. 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arxiv-papers
2014-02-20T21:06:44
2024-09-04T02:49:58.495537
{ "license": "Public Domain", "authors": "Chinh H. Lu and Van-Dong Nguyen", "submitter": "Chinh Lu Hoang", "url": "https://arxiv.org/abs/1402.5147" }
1402.5188
arxiv-papers
2014-02-21T02:22:57
2024-09-04T02:49:58.510240
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Chao Wang", "submitter": "Chao Wang", "url": "https://arxiv.org/abs/1402.5188" }
1402.5197
# An $L_{p}$-theory for a class of non-local elliptic equations related to nonsymmetric measurable kernels Ildoo Kim Department of Mathematics, Korea University, 1 Anam-dong, Sungbuk- gu, Seoul, 136-701, Republic of Korea [email protected] and Kyeong-Hun Kim Department of Mathematics, Korea University, 1 Anam-dong, Sungbuk-gu, Seoul, 136-701, Republic of Korea [email protected] ###### Abstract. We study the integro-differential operators $L$ with kernels $K(y)=a(y)J(y)$, where $J(y)dy$ is a Lévy measure on $\mathbb{R}^{d}$ (i.e. $\int_{\mathbb{R}^{d}}(1\wedge|y|^{2})J(y)dy<\infty$) and $a(y)$ is an only measurable function with positive lower and upper bounds. Under few additional conditions on $J(y)$, we prove the unique solvability of the equation $Lu-\lambda u=f$ in $L_{p}$-spaces and present some $L_{p}$-estimates of the solutions. ###### Key words and phrases: Non-local elliptic equations, Integro-differential equations, Lévy processes, non-symmetric measurable kernels ###### 2010 Mathematics Subject Classification: 35R09, 47G20 The research of the second author was supported by Basic Science Research Program through the National Research Foundation of Korea(NRF) funded by the Ministry of Education, Science and Technology (2013020522) ## 1\. introduction There has been growing interest in the integro-differential equations related to pure jump processes owing to their applications in various models in physics, biology, economics, engineering and many others involving long-range jumps and interactions. In this article we study the non-local elliptic equations having the operators $Lu:=\int_{{\mathbb{R}}^{d}}\Big{(}u(x+y)-u(x)-y\cdot\nabla u(x)\chi(y)\Big{)}\,K(x,y)dy,$ and $\tilde{L}u:=\int_{{\mathbb{R}}^{d}}\Big{(}u(x+y)-u(x)-y\cdot\nabla u(x)1_{|y|<1}\Big{)}\,K(x,y)dy,$ where the kernel $K(x,y)=a(y)J(y)$ depends only on $y$, $\displaystyle\chi(y)=0~{}\text{if}~{}\sigma\in(0,1),\quad\chi(y)=1_{|y|<1}~{}\text{if}~{}\sigma=1,\quad\chi(y)=1~{}\text{if}~{}\sigma\in(1,2].$ The constant $\sigma$ depends on $J(y)$ and is defined in (2.10). In particular, if $J(y)=c(d,\alpha)|y|^{-d-\alpha}$ for some $\alpha\in(0,2)$ then $\sigma=\alpha$. Note that if $a(y)$ is symmetric then $\tilde{L}=L$, and in general we (formally) have $\tilde{L}u=Lu+b\cdot\nabla u,$ where $b^{i}=-\int_{B_{1}}y^{i}a(y)J(y)dy\quad\text{if}\,\,\sigma\in(0,1),\quad\quad b^{i}=\int_{\mathbb{R}^{d}\setminus B_{1}}y^{i}a(y)J(y)dy\quad\text{if}\,\,\sigma\in(1,2].$ The main goal of this article is to prove the unique solvability of the equations $\displaystyle Lu-\lambda u=f\quad\text{and}\quad\tilde{L}u-\lambda u=f,\quad\lambda>0$ (1.1) in appropriate $L_{p}$-spaces and present some $L_{p}$-estimates of the solutions. Here $p>1$. If $p=2$, the only condition we are assuming is that $a(y)$ has positive lower and upper bounds and $J(y)$ is rotationally invariant. If $p\neq 2$, we assume some additional conditions on $J(y)$, which are described in (1.5) and (1.6) below (also see Assumption 2.18). Below is a short description on related $L_{p}$-theories. For other results such as the Harnack inequality and Hölder estimates we refer the readers to [4], [5], [8], [10] and [14]. If $K(x,y)=c(d,\alpha)|y|^{-d-\alpha}$, where $\alpha\in(0,2)$ and $c(d,\alpha)$ is some normalization constant, then $L$ becomes the fractional Laplacian operator $\Delta^{\alpha/2}:=-(-\Delta)^{\alpha/2}$. For the fractional Laplacian operator, $L_{p}$-estimates can be easily obtained by the Fourier multiplier theory (for instance, [16]). In [2] $L_{p}$-estimates were obtained for elliptic equations with “symmetric” kernels, and an $L_{p}$-theory for the equation $Lu-\lambda u=f$ with measurable nonsymmetric kernel $K(x,y)=a(y)|y|^{-d-\alpha}$ was recently introduced in [9]. For parabolic equations, the authors of [12] handled the equations with the kernel $K(x,y)=a(x,y)|y|^{-d-\alpha}$ under the condition that the coefficient $a(x,y)$ is homogeneous of order zero in $y$ and sufficiently smooth in $y$, but it is allowed that $a$ also depends on $x$. Lately in [17], an $L_{p}$-regularity theory for parabolic equations was constructed for $J(y)$ satisfying $\nu_{1}^{\alpha}(B)\leq\int I_{B}(y)J(y)dy\leq\nu_{2}^{\alpha}(B)\quad\forall B\in\mathcal{B}(\mathbb{R}^{d}),$ where $\nu_{i}^{(\alpha)}$ are Lévy measures taking the form $\displaystyle\nu_{i}^{(\alpha)}(B):=\int_{\mathbb{S}^{d-1}}\Big{(}\int_{0}^{\infty}\frac{1_{B}(r\theta)dr}{r^{1+\alpha}}\Big{)}S_{i}(d\theta),$ (1.2) with finite surface measures $dS_{i}$ on $\mathbb{S}^{d-1}$. Since the same constant $\alpha$ is used for both $\nu_{1}^{(\alpha)}$ and $\nu_{2}^{(\alpha)}$, even the Lévy measure $J(y)$ related to the operator $\Delta^{\alpha_{1}/2}+\Delta^{\alpha_{2}/2}$ is not of type (1.2) if $\alpha_{1}\neq\alpha_{2}$. From the probabilistic point of view, the fractional Laplacian operator can be described as the infinitesimal generator of $\alpha$-stable processes. That is, $\Delta^{\alpha/2}f(x)=\lim_{t\to 0^{+}}\frac{1}{t}\mathbb{E}[f(x+X_{t})-f(x)],\quad f\in C^{\infty}_{0}$ where $X_{t}$ is an $\mathbb{R}^{d}$-valued Lévy process in a probability space $(\Omega,P)$ with the characteristic function $\mathbb{E}e^{i\lambda\cdot X_{t}}:=\int_{\Omega}e^{i\lambda\cdot X_{t}}\,dP=e^{-t|\lambda|^{\alpha}}$. More generally, for any Bernstein function $\phi$ with $\phi(0+)=0$ (equivalently, $\phi(\lambda)=\int^{\infty}_{0}(1-e^{-\lambda t})\mu(dt)$ for some measure $\mu$ satisfying $\int^{\infty}_{0}(1\wedge 1)\mu(dt)<\infty$), the operator $\phi(\Delta)$ is the infinitesimal generator of the process $X_{t}:=W_{S_{t}}$, where $S_{t}$ is a subordinator (i.e. an increasing Lévy process satisfying $S_{0}=0$) with Laplace exponent $\phi$ (i.e. $\mathbb{E}e^{\lambda S_{t}}=\exp\\{t\phi(\lambda)\\}$) and $W_{t}$ is a $d$-dimensional Brwonian motion independent of $S_{t}$. Such process is called the subordinate Brownian motion. Actually $\phi$ is a Bernstein function with $\phi(0+)=0$ if and only if it is a Laplace exponent of a subordinator. Furthermore, the relation $\displaystyle\phi(\Delta)f:=-\phi(-\Delta)f=\int_{\mathbb{R}^{d}}\left(f(x+y)-f(x)-\nabla f(x)\cdot y\chi(y)\right)J(y)~{}dy$ (1.3) holds with $j(|y|):=J(y)$ given by $\displaystyle j(r)=\int_{0}^{\infty}(4\pi t)^{-d/2}e^{-r^{2}/(4t)}~{}\mu(dt).$ (1.4) For the equations with the kernel $K(x,y)=a(y)J(y)$, an $L_{p}$-estimate is obtained in aforementioned article [2] if $a(y)$ is symmetric. However to the best of our knowledge, if the coefficient $a(y)$ is only measurable and $J(y)\neq|y|^{-d-\alpha}$ then the $L_{p}$-estimate has not been known yet. In this article we extend [9] to the class of Lévy measures $J(y)$ satisfying the following two conditions: (i) there exists a constant $\alpha_{0}$, where $\alpha_{0}\in(0,1]$ if $\sigma\leq 1$ and $\alpha_{0}\in(1,2)$ if $\sigma>1$, so that $\frac{j(t)}{j(s)}\leq N(\frac{s}{t})^{d+\alpha_{0}},\quad\forall\,0<s\leq t,$ (1.5) and, (ii) for any $t>0$ $1_{\sigma<1}\int_{|y|\leq 1}|y|j(t|y|)~{}dy+1_{\sigma\geq 1}\int_{|y|\leq 1}|y|^{2}j(t|y|)~{}dz\leq Nj(t).$ (1.6) See Section 2 for few remarks on these conditions. It is easy to check that (1.5) and (1.6) are satisfied if there exists $\alpha\geq\alpha_{0}$ so that $(s/t)^{d+\alpha}j(s)\leq N_{1}j(t)\leq N_{2}(s/t)^{d+\alpha_{0}}j(s),\quad\forall\,\,\,0<s\leq t.$ (1.7) One can construct many interesting jump functions $j(t)$ satisfying (1.7). For example, (1.7) holds if $J(y)$ is defined from (1.3) and $\phi$ is one of the following (see Example 2.12 for details): * (1) $\phi(\lambda)=\sum_{i=1}^{n}\lambda^{\alpha_{i}}$, $0<\alpha_{i}<1$; * (2) $\phi(\lambda)=(\lambda+\lambda^{\alpha})^{\beta}$, $\alpha,\beta\in(0,1)$; * (3) $\phi(\lambda)=\lambda^{\alpha}(\log(1+\lambda))^{\beta}$, $\alpha\in(0,1)$, $\beta\in(0,1-\alpha)$; * (4) $\phi(\lambda)=\lambda^{\alpha}(\log(1+\lambda))^{-\beta}$, $\alpha\in(0,1)$, $\beta\in(0,\alpha)$; * (5) $\phi(\lambda)=(\log(\cosh(\sqrt{\lambda})))^{\alpha}$, $\alpha\in(0,1)$; * (6) $\phi(\lambda)=(\log(\sinh(\sqrt{\lambda}))-\log\sqrt{\lambda})^{\alpha}$, $\alpha\in(0,1)$. In these cases, the jump function $j(r)$ is comparable to $r^{-d}\phi(r^{-2})$. Our approach is borrowed from [9]. We estimate the sharp functions of the solutions and apply the Hardy-Littlewod theorem and the Fefferman-Stein theorem. This approach is typically used to treat the second-order PDEs with small BMO or VMO coefficients (for instance, see [11]). In [9] this method is applied to a non-local operator with the kernel $K(x,y)=a(y)|y|^{-d-\alpha}$. As in [9], our sharp function estimates are based on some Hölder estimates of solutions. The original idea of obtaining Hölder estimates is from [3]. Nonetheless, since we are considering much general $J(y)$ rather then $c(d,\alpha)|y|^{-d-\alpha}$, many new difficulties arise. In particular, our operators do not have the nice scaling property which is used in [11] and [9], and this cause many difficulties in the estimates. The article is organized as follows. In Section 2 we introduce the main results. Section 3 contains the unique solvability in the $L_{2}$-space. In Section 4 we establish some Hölder estimates of solutions. Using these estimates we obtain the sharp function and maximal function estimates in Section 5. In Section 6, the proofs of main results are given. We finish the introduction with some notation. As usual $\mathbb{R}^{d}$ stands for the Euclidean space of points $x=(x^{1},...,x^{d})$, $B_{r}(x):=\\{y\in\mathbb{R}^{d}:|x-y|<r\\}$ and $B_{r}:=B_{r}(0)$. For $i=1,...,d$, multi-indices $\beta=(\beta_{1},...,\beta_{d})$, $\beta_{i}\in\\{0,1,2,...\\}$, and functions $u(x)$ we set $u_{x^{i}}=\frac{\partial u}{\partial x^{i}}=D_{i}u,\quad D^{\beta}u=D_{1}^{\beta_{1}}\cdot...\cdot D^{\beta_{d}}_{d}u,\quad|\beta|=\beta_{1}+...+\beta_{d}.$ For an open set $U\subset\mathbb{R}^{d}$ and a nonnegative non-integer constant $\gamma$, by $C^{\gamma}(U)$ we denote the usual Hölder space. For a nonnegative integer $n$, we write $u\in C^{n}(U)$ if $u$ is $n$-times continuously differentiable in $U$. By $C^{n}_{0}(U)$ (resp. $C^{\infty}_{0}(U)$) we denote the set of all functions in $C^{n}(U)$ (resp. $C^{\infty}(U)$) with compact supports. Similarly by $C^{n}_{b}(U)$ (resp. $C^{\infty}_{b}(U)$) we denote the set of functions in $C^{n}(U)$ (resp. $C^{\infty}(U)$) with bounded derivatives. The standard $L_{p}$-space on $U$ with Lebesgue measure is denoted by $L_{p}(U)$. We simply use $L_{p}$, $C^{n}$, $C_{b}^{n}$, $C_{0}^{n}$, $C_{b}^{\infty}$, and $C_{0}^{\infty}$ when $U=\mathbb{R}^{d}$. We use “$:=$” to denote a definition. $a\wedge b=\min\\{a,b\\}$ and $a\vee b=\max\\{a,b\\}$. If we write $N=N(a,\ldots,z)$, this means that the constant $N$ depends only on $a,\ldots,z$. The constant $N$ may change from location to location, even within a line. By $\mathcal{F}$ and $\mathcal{F}^{-1}$ we denote the Fourier transform and the inverse Fourier transform, respectively. That is, $\mathcal{F}(f)(\xi):=\int_{\mathbb{R}^{d}}e^{-ix\cdot\xi}f(x)dx$ and $\mathcal{F}^{-1}(f)(x):=\frac{1}{(2\pi)^{d}}\int_{\mathbb{R}^{d}}e^{i\xi\cdot x}f(\xi)d\xi$. For a Borel set $A\subset\mathbb{R}^{d}$, we use $|A|$ to denote its Lebesgue measure and by $I_{A}(x)$ we denote the indicator of $A$. ## 2\. Setting and main results Throughout this article, we assume that $J(y)$ is rotationally invariant, $\nu\leq a(y)\leq\Lambda$ (2.8) for some constants $\nu,\Lambda>0$, and $\int_{\mathbb{R}^{d}}(1\wedge|y|^{2})J(y)~{}dy<\infty.$ (2.9) Let $e_{1}$ be a unit vector. Obviously, the condition that $J(y)$ is rotationally invariant can be replaced by the condition that $J(y)$ is comparable to $j(|y|):=J(|y|e_{1})$, because $J(y)a(y)=j(|y|)\cdot a(y)J(y)j^{-1}(|y|):=j(|y|)\tilde{a}(y)$ and $\tilde{a}$ also has positive lower and upper bounds. Denote $\sigma:=\inf\\{\delta>0:\int_{|y|\leq 1}\,|y|^{\delta}J(y)~{}dy<\infty\\},$ (2.10) $\displaystyle\chi(y)=0~{}\text{if}~{}\sigma\in(0,1),\quad\chi(y)=1_{B_{1}}~{}\text{if}~{}\sigma=1,\quad\chi(y)=1~{}\text{if}~{}\sigma\in(1,2].$ Note that if $J(y)=c(d,\alpha)|y|^{-d-\alpha}$ for some $\alpha\in(0,2)$ then we have $\sigma=\alpha$. For $u\in C^{2}_{b}$ we introduce the non-local elliptic operators $\displaystyle\mathcal{A}u=\int_{{\mathbb{R}}^{d}}\big{(}u(x+y)-u(x)-y\cdot\nabla u(x)\chi(y)\big{)}\,J(y)~{}dy,$ $\displaystyle Lu=\int_{{\mathbb{R}}^{d}}\big{(}u(x+y)-u(x)-y\cdot\nabla u(x)\chi(y)\big{)}\,a(y)J(y)~{}dy,$ $\tilde{L}u=\int_{{\mathbb{R}}^{d}}\big{(}u(x+y)-u(x)-y\cdot\nabla u(x)I_{B_{1}}(y)\big{)}\,a(y)J(y)~{}dy,$ $\displaystyle L^{\ast}u=\int_{{\mathbb{R}}^{d}}\big{(}u(x+y)-u(x)-y\cdot\nabla u(x)\chi(y)\big{)}\,a(-y)J(-y)~{}dy,$ and $\tilde{L}^{\ast}u=\int_{{\mathbb{R}}^{d}}\big{(}u(x+y)-u(x)-y\cdot\nabla u(x)I_{B_{1}}(y)\big{)}\,a(-y)J(-y)~{}dy.$ We start with a simple but interesting result, which will be used later in the proof of Theorem 2.21. ###### Lemma 2.1. For any $p>1$ and $\lambda>0$, $\|u\|_{L_{p}}\leq\frac{1}{\lambda}\|\tilde{L}u-\lambda u\|_{L_{p}},\quad\forall\,u\in C^{\infty}_{0}.$ ###### Proof. Put $\Phi(\xi):=-\int_{\mathbb{R}^{d}}(e^{i\xi\cdot y}-1-i(y\cdot\xi)I_{B_{1}})a(-y)J(-y)~{}dy$ and $f:=\tilde{L}u-\lambda u.$ Since $a(-y)J(-y)$ is a Lévy measure (i.e. $\int_{\mathbb{R}^{d}}(1\wedge|y|^{2})a(-y)J(-y)~{}dy<\infty$), there exists a Lévy process whose characteristic exponent is $-t\Phi(\xi)$ (for instance, see Corollary 1.4.6 of [1]). Denoting by $p_{\Phi}(t,dx)$ its law at $t$, we have $\int_{\mathbb{R}^{d}}e^{-i\xi\cdot x}p_{\Phi}(t,dx)=\int_{\mathbb{R}^{d}}e^{i(-\xi)\cdot x}p_{\Phi}(t,dx)=e^{-t\Phi(-\xi)}.$ (2.11) In non-probabilistic terminology it can be rephrased that if $\int_{\mathbb{R}^{d}}(1\wedge|y|^{2})a(-y)J(-y)~{}dy<\infty$ then there exists a continuous measure-valued function $p_{\Phi}(t,dx)$ such that $p_{\Phi}(t,\mathbb{R}^{d})=1$ and (2.11) holds. Since $(-\Phi(-\xi)-\lambda)\mathcal{F}u=\mathcal{F}f$ and $\text{Re}\,\Phi(-\xi)\geq 0$, we have $\displaystyle\mathcal{F}u(\xi)$ $\displaystyle=$ $\displaystyle-\frac{1}{\Phi(-\xi)+\lambda}\mathcal{F}f(\xi)$ $\displaystyle=$ $\displaystyle-\Big{(}\int_{0}^{\infty}e^{-t\Phi(-\xi)-\lambda t}~{}dt~{}\mathcal{F}f(\xi)\Big{)}$ $\displaystyle=$ $\displaystyle-\Big{(}\int_{0}^{\infty}\int_{\mathbb{R}^{d}}e^{-i\xi\cdot x}p_{\Phi}(t,dx)e^{-\lambda t}~{}dt~{}\mathcal{F}f(\xi)\Big{)}$ $\displaystyle=$ $\displaystyle-\mathcal{F}\Big{(}\int_{0}^{\infty}(p_{\Phi}(t,\cdot)\ast f(x))e^{-\lambda t}~{}dt\Big{)}(\xi).$ Therefore, $u(x)=-\int_{0}^{\infty}(p_{\Phi}(t,\cdot)\ast f)e^{-\lambda t}~{}dt$ and by Young’s inequality, $\displaystyle\|u\|_{L_{p}}\leq\int_{0}^{\infty}\int_{\mathbb{R}^{d}}p_{\Phi}(t,dx)e^{-\lambda t}~{}dt\|f\|_{L_{p}}\leq\frac{1}{\lambda}\|f\|_{L_{p}}.$ Hence the lemma is proved. $\Box$ ###### Definition 2.2. We write $u\in\mathcal{H}_{p}^{\mathcal{A}}$ if and only if there exists a sequence of functions $u_{n}\in C_{0}^{\infty}$ such that $u_{n}\to u$ in $L_{p}$ and $\\{\mathcal{A}u_{n}:n=1,2,\cdots\\}$ is a cauchy sequence in $L_{p}$. By $\mathcal{A}u$ we denote the limit of $\mathcal{A}u_{n}$ in $L_{p}$. ###### Lemma 2.3. $\mathcal{H}_{p}^{\mathcal{A}}$ is a Banach space equipped with the norm $\displaystyle\|u\|_{\mathcal{H}_{p}^{\mathcal{A}}}:=\|u\|_{L_{p}}+\|\mathcal{A}u\|_{L_{p}}.$ ###### Proof. It is obvious. $\Box$ ###### Definition 2.4. We say that $u\in\mathcal{H}_{p}^{\mathcal{A}}$ is a solution of the equation $\displaystyle Lu-\lambda u=f\quad\quad~{}\text{in}\,\,~{}\mathbb{R}^{d}$ (2.12) if and only if there exists a sequence $\\{u_{n}\in C_{0}^{\infty}\\}$ such that $u_{n}$ converges to $u$ in $\mathcal{H}_{p}^{\mathcal{A}}$ and $Lu_{n}-\lambda u_{n}$ converges to $f$ in $L_{p}$. Similarly, we consider the equation $\displaystyle\tilde{L}u-\lambda u=f\quad\quad~{}\text{in}\,\,~{}\mathbb{R}^{d}$ (2.13) in the same sense. ###### Lemma 2.5 (Maximum principle). Let $\lambda>0$, $b(x)$ be an $\mathbb{R}^{d}$-valued bounded function on $\mathbb{R}^{d}$ and $u$ be a function in $C^{2}_{b}$ satisfying $u(x)\to 0$ as $|x|\to\infty$. If $Lu+b(x)\cdot\nabla u-\lambda u=0$ in $\mathbb{R}^{d}$, then $u\equiv 0$. Also, the same statement is true with $\tilde{L}$ in place of $L$. ###### Proof. Suppose that $u$ is not identically zero. Without loss of generality, assume $\sup_{\mathbb{R}^{d}}u>0$ (otherwise consider $-u$). Since $u$ goes to zero as $|x|\to\infty$, there exists $x_{0}\in\mathbb{R}^{d}$ such that $u(x_{0})=\sup_{\mathbb{R}^{d}}u$. Thus $\nabla u(x_{0})=0$ and $\displaystyle Lu(x_{0})=\int_{{\mathbb{R}}^{d}}\left(u(x_{0}+y)-u(x_{0})-y\cdot\nabla u(x_{0})\chi(y)\right)a(y)J(y)\,dy\leq 0.$ Therefore we reach the contradiction. Indeed, $\displaystyle Lu(x_{0})+b(x_{0})\cdot\nabla u(x_{0})-\lambda u(x_{0})<0.$ The proof for $\tilde{L}$ is almost identical. The lemma is proved. $\Box$ This maximum principle yields the denseness of $(L+b\cdot\nabla-\lambda)C_{0}^{\infty}$ and $(\tilde{L}+b\cdot\nabla-\lambda)C_{0}^{\infty}$ in $L_{p}$. ###### Lemma 2.6. Let $\lambda>0$ and $b\in\mathbb{R}^{d}$ be independent of $x$. Then $(L+b\cdot\nabla-\lambda)C_{0}^{\infty}:=\\{Lu+b\cdot\nabla u-\lambda u:u\in C_{0}^{\infty}\\}$ is dense in $L_{p}$ for any $p\in(1,\infty)$. Also, the same statement holds with $\tilde{L}$ in place of $L$. ###### Proof. Due to the similarity we only prove the first statement. Suppose that the statement is false. Then by the Hahn-Banach theorem and Riesz’s representation theorem, there exists a nonzero $v\in L_{p/(p-1)}$ such that $\displaystyle\int_{\mathbb{R}^{d}}\left(Lu(x)+b\cdot\nabla u(x)-\lambda u(x)\right)v(x)~{}dx=0$ (2.14) for all $u\in C_{0}^{\infty}$. Fixing $y\in\mathbb{R}^{d}$, we apply (2.14) with $u(y-\cdot)$. Then, due to Fubini’s Theorem, $\displaystyle 0$ $\displaystyle=$ $\displaystyle\int_{\mathbb{R}^{d}}\left(L^{\ast}u(y-x)-b\cdot\nabla u(y-x)-\lambda u(y-x)\right)v(x)~{}dx$ $\displaystyle=$ $\displaystyle L^{\ast}u\ast v(y)-b\cdot(\nabla u\ast v(y))-\lambda u\ast v(y)=(L^{\ast}-b\cdot\nabla-\lambda)(u\ast v)(y).$ Therefore from the previous lemma, we have $u\ast v=0$ for any $u\in C^{\infty}_{0}$. Therefore, $v=0$ $(a.e.)$ and we have a contradiction. $\Box$ ###### Corollary 2.7 (Uniqueness). Let $\lambda>0$. Suppose that there exist $u,v\in\mathcal{H}^{\mathcal{A}}_{p}$ satisfying $Lu-\lambda u=0,\quad\tilde{L}v-\lambda v=0.$ Then $u=v=0$. ###### Proof. By the definition of a solution and the assumption of this corollary, there exists a sequence $\\{u_{n}\in C_{0}^{\infty}\\}$ such that for all $w\in C_{0}^{\infty}$ $\displaystyle 0=\int_{\mathbb{R}^{d}}\lim_{n\to\infty}(Lu_{n}-\lambda u_{n})w~{}dx=\int_{\mathbb{R}^{d}}u(L^{\ast}w-\lambda w)~{}dx.$ Since $\\{L^{\ast}w-\lambda w:w\in C_{0}^{\infty}\\}$ is dense in $L_{p/(p-1)}$ owing to Lemma 2.6, we conclude $u=0$, and by the same argument we have $v=0$. $\Box$ Here is our $L_{2}$-theory. We emphasize that only (2.8) and (2.9) are assumed for the $L_{2}$-theory. The proof of Theorem 2.8 is given in Section 3. ###### Theorem 2.8. Let $\lambda>0$. Then for any $f\in L_{2}$ there exist unique solutions $u,v\in\mathcal{H}_{2}^{\mathcal{A}}$ of equation (2.12) and (2.13) respectively, and for these solutions we have $\displaystyle\|\mathcal{A}u\|_{L_{2}}+\lambda\|u\|_{L_{2}}\leq N(d,\nu,\Lambda)\|f\|_{L_{2}},$ (2.15) $\displaystyle\|\mathcal{A}v\|_{L_{2}}+\lambda\|v\|_{L_{2}}\leq N(d,\nu,\Lambda)\|f\|_{L_{2}}.$ (2.16) The issue regarding the continuity of $L$ (or $\tilde{L}$) : $\mathcal{H}^{\mathcal{A}}_{p}\to L_{p}$ will be discussed later. For the case $p\neq 2$, we consider the following conditions on $J(y)=j(|y|)$ : (H1): There exist constants $\kappa_{1}>0$ and $\alpha_{0}>0$ such that $\displaystyle j(t)\leq\kappa_{1}(s/t)^{d+\alpha_{0}}j(s),\quad\forall\,\,0<s\leq t.$ (2.17) Moreover, $\alpha_{0}\leq 1$ if $\sigma\leq 1$ and $1<\alpha_{0}<2$ if $\sigma>1$. (H2): There exists a constant $\kappa_{2}>0$ such that for all $t>0$, $\displaystyle\int_{|y|\leq 1}|y|j(t|y|)~{}dy\leq\kappa_{2}j(t)\quad\quad\text{if}\,\,\sigma\in(0,1),$ (2.18) $\displaystyle\int_{|y|\leq 1}|y|^{2}j(t|y|)~{}dz\leq\kappa_{2}j(t)\quad\quad\text{if}\,\,\sigma\geq 1.$ (2.19) ###### Remark 2.9. (i) By taking $t=1$ in (2.17), $j(1)\kappa^{-1}_{1}s^{-d-\alpha_{0}}\leq j(s),\quad\forall\,\,s\in(0,1).$ (2.20) An upper bound of $j(s)$ near $s=0$ is obtained in the following lemma. (ii) H1 and H2 are needed even to guarantee the continuity of the operator $L:\mathcal{H}^{A}_{2}\to L_{2}$ (see Lemma 3.1). ###### Lemma 2.10. Suppose $\displaystyle j(s)\geq Cj(t),\quad\forall\,s\leq t,$ (2.21) and H2 hold. Then there exists a constant $N(d,\kappa_{2},C)>0$ such that for all $0<s\leq t$ $\displaystyle j(t)\geq N(s/t)^{d+1}j(s)\quad(\text{if}\,\,\sigma<1),\quad j(t)\geq N(s/t)^{d+2}j(s)\quad(\text{if}\,\,\sigma\geq 1).$ (2.22) On the other hand, if there exists $\alpha>0$ so that $\alpha<1$ if $\sigma<1$, $\alpha<2$ if $\sigma\geq 1$, and $\displaystyle j(t)\geq N(s/t)^{d+\alpha}j(s),\quad\forall\,0<s\leq t,$ (2.23) then H2 holds. ###### Remark 2.11. By Lemma 2.10, both H1 and H2 hold if $0<\alpha_{0}\leq\alpha$ and $N^{-1}(s/t)^{d+\alpha}j(s)\leq j(t)\leq N(s/t)^{d+\alpha_{0}}j(s),\quad\forall\,\,\,0<s\leq t.$ ###### Example 2.12. Let $J(y)=j(|y|)$ be defined as in (1.4), that is for a Bernstein function $\phi(\lambda)=\int_{\mathbb{R}}(1-e^{-\lambda t})\mu(dt)$ and $u\in C^{2}_{0}$, $j(r)=\int_{0}^{\infty}(4\pi t)^{-d/2}e^{-r^{2}/(4t)}~{}\mu(dt),$ and $\displaystyle\phi(\Delta)u$ $\displaystyle=$ $\displaystyle\int_{\mathbb{R}^{d}}\left(u(x+y)-u(x)-\nabla u(x)\cdot yI_{|y|\leq 1}\right)J(y)~{}dy$ $\displaystyle=$ $\displaystyle-\mathcal{F}(\phi(|\xi|^{2})\mathcal{F}(u)(\xi)).$ Then, H1 and H2 are satisfied if $\phi$ is given, for instance, by any one of * (1) $\phi(\lambda)=\sum_{i=1}^{n}\lambda^{\alpha_{i}}$, $0<\alpha_{i}<1$; * (2) $\phi(\lambda)=(\lambda+\lambda^{\alpha})^{\beta}$, $\alpha,\beta\in(0,1)$; * (3) $\phi(\lambda)=\lambda^{\alpha}(\log(1+\lambda))^{\beta}$, $\alpha\in(0,1)$, $\beta\in(0,1-\alpha)$; * (4) $\phi(\lambda)=\lambda^{\alpha}(\log(1+\lambda))^{-\beta}$, $\alpha\in(0,1)$, $\beta\in(0,\alpha)$; * (5) $\phi(\lambda)=(\log(\cosh(\sqrt{\lambda})))^{\alpha}$, $\alpha\in(0,1)$; * (6) $\phi(\lambda)=(\log(\sinh(\sqrt{\lambda}))-\log\sqrt{\lambda})^{\alpha}$, $\alpha\in(0,1)$. This is because all these functions satisfy the conditions * A: $\exists\,0<\delta_{1}\leq\delta_{2}<1$, $N^{-1}\lambda^{\delta_{1}}\phi(t)\leq\phi(\lambda t)\leq N\lambda^{\delta_{2}}\phi(t),\quad\forall\,\lambda\geq 1,t\geq 1$ * B: $\exists\,0<\delta_{3}\leq\delta_{4}<1$, $N^{-1}\lambda^{\delta_{3}}\phi(t)\leq\phi(\lambda t)\leq N\lambda^{\delta_{4}}\phi(t),\quad\forall\,\lambda\leq 1,t\leq 1,$ and under these condition one can prove (see [10]) $\displaystyle N^{-1}\Big{(}\frac{R}{r}\Big{)}^{\delta_{1}\wedge\delta_{3}}\leq\frac{\phi(R)}{\phi(r)}\leq N\Big{(}\frac{R}{r}\Big{)}^{\delta_{2}\vee\delta_{4}}$ and $\displaystyle N^{-1}\phi(|y|^{-2})|y|^{-d}\leq J(y)\leq N\phi(|y|^{-2})|y|^{-d},$ (2.24) and consequently our conditions H1 and H2 hold. One can easily construct concrete examples of $j(r)$ using (2.24) and $(1)$-$(6)$ (just replace $\lambda$ by $r^{-2}$). See the tables at the end of [13] for more examples satisfying A and B. ###### Remark 2.13. If $p\neq 2$, our $L_{p}$-theory does not cover the case when the jump function $J(y)$ is related to the relativistic $\alpha$-stable process with mass $m>0$ (i.e. a subordinate Brownian motion with the infinitesimal generator $\phi(\Delta)=m-(m^{2/{\alpha}}-\Delta)^{\alpha/2}$). This is because the related jump function decreases exponentially fast at the infinity (for instance, see [7]) and thus condition H2 fails (see (2.22)). Proof of Lemma 2.10. Assume (2.21) and H2 hold. We put $B_{1}=\cup_{n=0}^{\infty}B_{(n)}$, where $B_{(n)}=B_{2^{-n}}\setminus B_{2^{-(n+1)}}$. Due to (2.21) for each $n\geq 0$, $\displaystyle\kappa_{2}j(t)$ $\displaystyle\geq$ $\displaystyle\int_{|y|\leq 1}|y|^{2}j(t|y|)~{}dy=\sum_{n=0}^{\infty}\int_{B(n)}|y|^{2}j(t|y|)~{}dy$ $\displaystyle\geq$ $\displaystyle N\sum_{n=0}^{\infty}2^{-(n+1)(d+2)}j(t2^{-n})\geq N2^{-(n+1)(d+2)}j(t2^{-n}).$ Put $s=t\lambda$, where $\lambda\in(0,1)$, and take an integer $m(\lambda)\geq 0$ such that $2^{-(m+1)}\leq\lambda\leq 2^{-m}$. Then by (2.21), $\displaystyle j(t)\geq N2^{-(m+2)(d+2)}j(2^{-(m+1)}t)\geq N\lambda^{d+2}j(\lambda t).$ Similarly, $j(\lambda t)\leq\lambda^{-d-1}j(t)$ if $\sigma<1$. For the other direction, put $s=t|y|$ in (2.23). If $\sigma<1$ then $\displaystyle\int_{|y|\leq 1}|y|j(t|y|)~{}dy$ $\displaystyle\leq$ $\displaystyle Nj(t)\int_{|y|\leq 1}|y|\frac{j(t|y|)}{j(t)}~{}dy$ $\displaystyle\leq$ $\displaystyle Nj(t)\int_{|y|\leq 1}|y|^{-d-\alpha_{1}+1}~{}dy\leq Nj(t)$ and otherwise, that is, if $\sigma\geq 1$ then $\displaystyle\int_{|y|\leq 1}|y|^{2}j(t|y|)~{}dy$ $\displaystyle\leq$ $\displaystyle Nj(t)\int_{|y|\leq 1}|y|^{2}\frac{j(t|y|)}{j(t)}~{}dy$ $\displaystyle\leq$ $\displaystyle Nj(t)\int_{|y|\leq 1}|y|^{-d-\alpha_{2}+2}~{}dy\leq Nj(t).$ The lemma is proved. $\Box$ Define $\Psi(\xi):=-\int_{\mathbb{R}^{d}}(e^{i\xi\cdot y}-1-i(y\cdot\xi)\chi(y))J(y)dy=\int_{\mathbb{R}^{d}}(1-\cos\xi\cdot y)J(y)dy.$ Then $\mathcal{A}u=\mathcal{F}^{-1}(-\Psi(\xi)\mathcal{F}u),\quad\quad\forall\,u\in C^{\infty}_{0}.$ By abusing the notation, we also use $\Psi(|\xi|)$ instead of $\Psi(\xi)$ because $\Psi(\xi)$ is rotationally invariant. The following result will be used to prove the continuity of the operator $L$. ###### Lemma 2.14. Suppose that (2.21) holds. Then there exists a constant $N(d,C)>0$ such that for all $\xi\in\mathbb{R}^{d}$ $\displaystyle j(|\xi|)\leq N|\xi|^{-d}\Psi(|\xi|^{-1}).$ (2.25) ###### Proof. By (2.21), $\displaystyle\Psi(|\xi|^{-1})$ $\displaystyle=$ $\displaystyle\int_{\mathbb{R}^{d}}(1-\cos(y^{1}/|\xi|))J(y)~{}dy=|\xi|^{d}\int_{\mathbb{R}^{d}}(1-\cos(y^{1}))J(|\xi|y)~{}dy$ $\displaystyle\geq$ $\displaystyle|\xi|^{d}\int_{|y|\leq 1}(1-\cos(y^{1}))J(|\xi|y)dy$ $\displaystyle\geq$ $\displaystyle Cj(|\xi|)|\xi|^{d}\int_{|y|\leq 1}(1-\cos(y^{1}))~{}dy\geq Nj(|\xi|)|\xi|^{d}.$ Hence the lemma is proved. $\Box$ The following condition will be considered for the case $\sigma=1$. This condition is needed even to prove the continuity of $L$. ###### Assumption 2.15. If $\sigma=1$ then $\displaystyle\int_{\partial B_{r}}y^{i}a(y)J(y)dS_{r}(y)=0,\quad\forall r\in(0,\infty),\,i=1,\cdots,d,$ (2.26) where $dS_{r}$ is the surface measure on $\partial B_{r}$. Here is our $L_{p}$-theory for equation (2.27) below. ###### Theorem 2.16. Suppose that H1 and H2 hold and Assumption 2.15 also holds if $\sigma=1$. Let $\lambda>0$ and $p>1$. Then for any $f\in L_{p}$ there exists a unique solution $u\in\mathcal{H}_{p}^{\mathcal{A}}$ of the equation $Lu-\lambda u=f,$ (2.27) and for this solution we have $\displaystyle\|\mathcal{A}u\|_{L_{p}}+\lambda\|u\|_{L_{p}}\leq N(d,p,\nu,\Lambda,J)\|f\|_{L_{p}}.$ (2.28) Moreover, $L$ is a continuous operator from $\mathcal{H}_{p}^{\mathcal{A}}$ to $L_{p}$, and (2.28) holds for all $u\in\mathcal{H}_{p}^{\mathcal{A}}$ with $f:=Lu-\lambda u$. The proof of this theorem will be given in Section 6. ###### Remark 2.17. Since the constant $N$ in (2.28) does not depend on $\lambda$, for any $u\in\mathcal{H}_{p}^{\mathcal{A}}$ $\displaystyle\|\mathcal{A}u\|_{L_{p}}\leq N\|Lu\|_{L_{p}}.$ To study the equations with the operator $\tilde{L}$, we consider an additional condition, which always holds when $\sigma=1$. ###### Assumption 2.18 (H3). Any one of the following (i)-(iv) holds: (i) $\mathcal{A}$ is a higher order differential operator than $I_{\sigma\neq 1}\nabla u$, that is for any $\varepsilon>0$ there exists $N(\varepsilon)>0$ so that for any $u\in C^{\infty}_{0}$ $I_{\sigma\neq 1}\|\nabla u\|_{p}\leq\varepsilon\|\mathcal{A}u\|_{p}+N(\varepsilon)\|u\|_{p}.$ (2.29) (ii) $\sigma<1$ and $\int_{r\leq|y|\leq 1}y^{i}\Big{(}a(y)-[a(y)\wedge a(-y)]\Big{)}\,J(y)dy=0,\quad\forall\,r\in(0,1),\,i=1,\cdots,d.$ (2.30) (iii) $\sigma<1$ and there exists a constant $\kappa_{3}>0$ such that for all $0<t<1$, $\displaystyle\int_{|z|\geq 1}|z|j(t|z|)~{}dz\leq\kappa_{2}j(t).$ (2.31) (iv) $\sigma>1$ and $\int_{1\leq|y|\leq r}y^{i}\Big{(}a(y)-[a(y)\wedge a(-y)]\Big{)}\,J(y)dy=0,\quad\forall\,r>1\,\,i=1,\cdots,d.$ (2.32) ###### Remark 2.19. (i) Note that (2.29) is satisfied if for some $\alpha>1$, $\|\Delta^{\alpha/2}u\|_{p}\leq N(\|u\|_{p}+\|\mathcal{A}u\|_{p}),\quad\forall u\in C^{\infty}_{0},$ (2.33) or, equivalently $|\xi|^{\alpha}(1+\Psi(\xi))^{-1}$ is a $L_{p}$-Fourier multiplier. Thus, certain differentiability of $J(y)$ is required (see Lemma 2.20 below). (ii) It is easy to check that (2.31) holds if for a $\alpha>1$, $\displaystyle j(\lambda t)\leq N\lambda^{-d-\alpha}j(t),\quad\forall\,\,\lambda\in(1,\infty),\,\,0<t<1.$ (2.34) (iii) Obviously, (2.30) holds if $a(y)=a(-y)$ for $|y|\leq 1$, and (2.32) holds if $a(y)=a(-y)$ for $|y|\geq 1$. Below we give a sufficient condition for (2.29). ###### Lemma 2.20. (i) H3-(i) holds if $\mathcal{A}=\phi(\Delta)$ for some Bernstein function $\phi$ satisfying $1+\phi(|\xi|^{2})\geq N|\xi|^{\alpha},\quad\forall\xi\in\mathbb{R}^{d},$ (2.35) where $\alpha>1$ and $N>0$. (ii) All of H1, H2 and H3 hold if $\sigma>1$, $\mathcal{A}=\phi(\Delta)$ and $\phi$ satisfies conditions A and B described in Example 2.12. ###### Proof. (i). Let $\phi(\lambda)=\int_{\mathbb{R}}(1-e^{-\lambda t})\mu(dt)$, where $\int_{\mathbb{R}}(1\wedge|t|)\mu(dt)<\infty$. Then from $t^{n}e^{-t}\leq N(n)(1-e^{-t})$, we get $|\lambda|^{n}|D^{n}\phi(\lambda)|\leq N\phi(\lambda).$ (2.36) For any $u\in C^{\infty}_{0}$, $\mathcal{A}u=\mathcal{F}^{-1}(\phi(|\xi|^{2})\mathcal{F}(u)(\xi)),$ $\Delta^{\alpha/2}u=\mathcal{F}^{-1}(|\xi|^{\alpha}\mathcal{F}(u)(\xi))=\mathcal{F}^{-1}(\eta(\xi)(1+\phi(|\xi|^{2})\mathcal{F}(u)(\xi)),$ where $\eta(\xi)=|\xi|^{\alpha}(1+\phi(|\xi|^{2}))^{-1}$. Using (2.35) and (2.36), one can easily check $|D^{n}\eta(\xi)|\leq N(n)|\xi|^{-n},\quad\forall\,\xi,$ and therefore $\eta$ is a Fourier multiplier (see Theorem IV.3.2 of [16]) and $\|\Delta^{\alpha/2}u\|\leq N(\|u\|_{p}+\|\mathcal{A}u\|_{p}),$ $\|\nabla u\|_{p}\leq\varepsilon\|\Delta^{\alpha/2}u\|_{p}+N(\varepsilon)\|u\|_{p}\leq N\varepsilon\|\mathcal{A}u\|_{p}+N\|u\|_{p}.$ (ii) If A and B hold, then as explained before both H1, H2 hold, and we also have (see (2.24)), $N^{-1}\phi(|y|^{-2})|y|^{-d}\leq J(y)\leq N\phi(|y|^{-2})|y|^{-d}.$ Thus if $|\xi|\geq 1$, then $\phi(|\xi|^{2})\geq N|\xi|^{-d}J(|\xi|^{-1})\geq N|\xi|^{\alpha_{0}},$ where (2.20) is used for the last inequality. Hence the lemma is proved. $\Box$ Here is our $L_{p}$-theory for equation (2.37) below. ###### Theorem 2.21. Suppose that H1, H2 and H3 hold and Assumption 2.15 also holds if $\sigma=1$. Let $\lambda>0$ and $p>1$. Then for any $f\in L_{p}$ there exists a unique solution $u\in\mathcal{H}_{p}^{\mathcal{A}}$ of the equation $\tilde{L}u-\lambda u=f,$ (2.37) and for this solution we have $\displaystyle\|\mathcal{A}u\|_{L_{p}}+\lambda\|u\|_{L_{p}}\leq N(d,\nu,\Lambda,\lambda,J)\|f\|_{L_{p}}.$ (2.38) The proof of this theorem will be given in Section 6. Actually the constant $N$ in (2.38) is independent of $\lambda$ except the case when H3(i) is assumed. ## 3\. $L_{2}$-theory In this section we prove (2.15) and (2.16). These estimates and Lemma 2.6 yield the unique solvability of equations (2.12) and (2.13). The Fourier transform and Parseval’s identity are used to prove these estimates. ###### Lemma 3.1. Let $\lambda\geq 0$ be a constant. (i) For any $u\in C_{0}^{\infty}$ $\displaystyle\|\mathcal{A}u\|_{L_{2}}+\lambda\|u\|_{L_{2}}\leq N(d,\nu)\|Lu-\lambda u\|_{L_{2}}$ (3.39) and $\displaystyle\|\mathcal{A}u\|_{L_{2}}+\lambda\|u\|_{L_{2}}\leq N(d,\nu)\|\tilde{L}u-\lambda u\|_{L_{2}}.$ (3.40) (ii) Let H1 hold and $\sigma>1$. Then both $L$ and $\tilde{L}$ are continuous operators from $\mathcal{H}_{2}^{\mathcal{A}}$ to $L_{2}$, and for any $u\in C^{\infty}_{0}$, $\|Lu\|_{L_{2}}\leq N\|\mathcal{A}u\|_{L_{2}},\quad\quad\|\tilde{L}u\|_{L_{2}}\leq N\|u\|_{\mathcal{H}_{2}^{\mathcal{A}}},$ (3.41) where $N=N(d,\nu,J)$. Moreover, (3.39) and (3.40) hold for any $u\in\mathcal{H}_{2}^{\mathcal{A}}$. (iii) Let H1 and H2 hold, and Assumption 2.15 also hold if $\sigma=1$. Then the claims of (ii) hold for $L$ (not for $\tilde{L}$) for any $\sigma\in(0,1]$. ###### Proof. (i). Let $u\in C^{\infty}_{0}$. Taking the Fourier transform, we get $\displaystyle\mathcal{F}(Lu)(\xi)=\mathcal{F}u(\xi)\int_{\mathbb{R}^{d}}(e^{i\xi\cdot y}-1-iy\cdot\xi\chi(y))a(y)J(y)dy.$ (3.42) By Parseval’s identity, $\displaystyle\int_{\mathbb{R}^{d}}|Lu(x)|^{2}dx=(2\pi)^{-d}\int_{\mathbb{R}^{d}}|\mathcal{F}(Lu)(\xi)|^{2}d\xi$ $\displaystyle\geq$ $\displaystyle(2\pi)^{-d}\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\text{Re}\int_{\mathbb{R}^{d}}(e^{i\xi\cdot y}-1-iy\cdot\xi\chi(y))a(y)J(y)dy\right|^{2}d\xi$ $\displaystyle=$ $\displaystyle(2\pi)^{-d}\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\int_{\mathbb{R}^{d}}(1-\cos(\xi\cdot y))a(y)J(y)dy\right|^{2}d\xi$ $\displaystyle\geq$ $\displaystyle(2\pi)^{-d}\nu^{2}\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\int_{\mathbb{R}^{d}}(1-\cos(\xi\cdot y))J(y)dy\right|^{2}d\xi$ $\displaystyle=$ $\displaystyle\nu^{2}\int_{\mathbb{R}^{d}}|\mathcal{A}u|^{2}dx,$ where the facts that $1-\cos(\xi\cdot y)$ is nonnegative and $a(y)\geq\nu$ are used above. Similarly, since $uLu$ is real, $\displaystyle-\int_{\mathbb{R}^{d}}uLu~{}dx=-(2\pi)^{-d}\int_{\mathbb{R}^{d}}\mathcal{F}(Lu)(\xi)\overline{\mathcal{F}(u)(\xi)}~{}d\xi$ $\displaystyle=$ $\displaystyle-(2\pi)^{-d}\int_{\mathbb{R}^{d}}|\mathcal{F}(u)(\xi)|^{2}\text{Re}\int_{\mathbb{R}^{d}}\left(e^{i\xi\cdot y}-1-iy\cdot\xi\chi^{(\sigma)}(y)\right)a(y)J(y)~{}dyd\xi$ $\displaystyle=$ $\displaystyle(2\pi)^{-d}\int_{\mathbb{R}^{d}}|\mathcal{F}(u)(\xi)|^{2}\int_{\mathbb{R}^{d}}\left(1-\cos(\xi\cdot y)\right)a(y)J(y)~{}dyd\xi$ $\displaystyle\geq$ $\displaystyle\frac{\nu}{2}(2\pi)^{-d}\int_{\mathbb{R}^{d}}|\mathcal{F}(u)(\xi)|^{2}\int_{\mathbb{R}^{d}}\left(1-\cos(\xi\cdot y)\right)J(y)~{}dyd\xi$ $\displaystyle=$ $\displaystyle-\frac{\nu}{2}\int_{\mathbb{R}^{d}}u\mathcal{A}u~{}dx.$ Hence, $\displaystyle\int_{\mathbb{R}^{d}}|Lu-\lambda u|^{2}~{}dx$ $\displaystyle=$ $\displaystyle\int_{\mathbb{R}^{d}}|Lu|^{2}~{}dx-2\lambda\int_{\mathbb{R}^{d}}uLu~{}dx+\lambda^{2}\int_{\mathbb{R}^{d}}|u|^{2}~{}dx$ $\displaystyle\geq$ $\displaystyle\nu^{2}\int_{\mathbb{R}^{d}}|\mathcal{A}u|^{2}~{}dx-\lambda\nu\int_{\mathbb{R}^{d}}u\mathcal{A}u~{}dx+\lambda^{2}\int_{\mathbb{R}^{d}}|u|^{2}~{}dx$ $\displaystyle\geq$ $\displaystyle\nu^{2}\int_{\mathbb{R}^{d}}|\mathcal{A}u|^{2}~{}dx-\frac{\nu^{2}}{2}\int_{\mathbb{R}^{d}}u^{2}~{}dx-\frac{\lambda^{2}}{2}\int_{\mathbb{R}^{d}}|\mathcal{A}u|^{2}~{}dx+\lambda^{2}\int_{\mathbb{R}^{d}}|u|^{2}~{}dx$ $\displaystyle=$ $\displaystyle\frac{\nu^{2}}{2}\int_{\mathbb{R}^{d}}|\mathcal{A}u|^{2}~{}dx+\frac{\lambda^{2}}{2}\int_{\mathbb{R}^{d}}|u|^{2}~{}dx.$ Thus (3.39) holds. Also, (3.40) is proved similarly. (ii)-(iii). Next, we prove (3.41) for any $u\in C^{\infty}_{0}$. Unlike the case $j(r)=r^{-d-\alpha}$, the proof is not completely trivial. Condition H1 is needed if $\sigma>1$, and H2 is additionally needed if $\sigma\leq 1$. By using (3.42) and Parseval’s identity again, $\displaystyle\int_{\mathbb{R}^{d}}|Lu(x)|^{2}dx=(2\pi)^{-d}\int_{\mathbb{R}^{d}}|\mathcal{F}(Lu)(\xi)|^{2}d\xi$ $\displaystyle=$ $\displaystyle(2\pi)^{-d}\Big{[}\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\text{Re}\int_{\mathbb{R}^{d}}(e^{i\xi\cdot y}-1-iy\cdot\xi\chi(y))a(y)J(y)~{}dy\right|^{2}d\xi$ $\displaystyle+\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\text{Im}\int_{\mathbb{R}^{d}}(e^{i\xi\cdot y}-1-iy\cdot\xi\chi(y))a(y)J(y)~{}dy\right|^{2}d\xi\Big{]}$ $\displaystyle\leq$ $\displaystyle(2\pi)^{-d}\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\int_{\mathbb{R}^{d}}(1-\cos(\xi\cdot y))a(y)J(y)~{}dy\right|^{2}d\xi$ $\displaystyle+(2\pi)^{-d}\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\int_{|y||\xi|\geq 1}(\sin(\xi\cdot y)-y\cdot\xi\chi(y))a(y)J(y)~{}dy\right|^{2}d\xi$ $\displaystyle+(2\pi)^{-d}\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\int_{|y||\xi|<1}(\sin(\xi\cdot y)-y\cdot\xi\chi(y))a(y)J(y)~{}dy\right|^{2}d\xi$ $\displaystyle:=$ $\displaystyle\mathcal{I}_{1}+\mathcal{I}_{2}+\mathcal{I}_{3}.$ Similarly, $\int_{\mathbb{R}^{d}}|\tilde{L}u|^{2}dx=\tilde{\mathcal{I}}_{1}+\tilde{\mathcal{I}}_{2}+\tilde{\mathcal{I}}_{3},$ where $\tilde{\mathcal{I}}_{i}$ are obtained by replacing $\chi(y)$ in $\mathcal{I}_{i}$ with $I_{B_{1}}(y)$. Here $\mathcal{I}_{1}$ and $\tilde{\mathcal{I}}_{1}$ are easily controlled by $N\|\mathcal{A}u\|_{L_{2}}^{2}$. Due to H1, (2.26), the definition of $\chi$, and the change of variables $y\to\frac{y}{|\xi|}$, $\displaystyle\mathcal{I}_{2}$ $\displaystyle\leq$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}|\xi|^{-2d}\left|\int_{|y|\geq 1}(\sin(\frac{\xi}{|\xi|}\cdot y)-y\cdot\frac{\xi}{|\xi|}\chi(\frac{y}{|\xi|}))a(\frac{y}{|\xi|})J(\frac{y}{|\xi|})~{}dy\right|^{2}d\xi$ $\displaystyle\leq$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}|\xi|^{-2d}j(1/|\xi|)^{2}$ $\displaystyle\quad\quad\quad\quad\times\left(\int_{|y|\geq 1}\left|\sin(\frac{\xi}{|\xi|}\cdot y)-I_{\sigma\neq 1}y\cdot\frac{\xi}{|\xi|}\chi(\frac{y}{|\xi|})\right|a(\frac{y}{|\xi|})|y|^{-d-\alpha_{0}}~{}dy\right)^{2}d\xi$ $\displaystyle\leq$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}|\xi|^{-2d}j(1/|\xi|)^{2}~{}d\xi.$ Hence, by Lemma 2.14, $\displaystyle\mathcal{I}_{2}$ $\displaystyle\leq$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}(\Psi(\xi))^{2}~{}d\xi=N\int_{\mathbb{R}^{d}}|\mathcal{A}u|^{2}~{}dx.$ Similarly, if $\sigma>1$, $\displaystyle\tilde{\mathcal{I}}_{2}$ $\displaystyle\leq$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}|\xi|^{-2d}j(1/|\xi|)^{2}$ $\displaystyle\quad\quad\times\left(\int_{|y|\geq 1}\left|\sin(\frac{\xi}{|\xi|}\cdot y)-I_{\sigma>1}y\cdot\frac{\xi}{|\xi|}I_{|y|\leq|\xi|}\right|\,\,a(\frac{y}{|\xi|})|y|^{-d-\alpha_{0}}~{}dy\right)^{2}d\xi$ $\displaystyle\leq$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}|\xi|^{-2d}j(1/|\xi|)^{2}~{}d\xi\leq N\int_{\mathbb{R}^{d}}|\mathcal{A}u|^{2}~{}dx.$ Also, using the fundamental theorem of calculus, the definition of $\chi$ and (2.26), $\displaystyle\mathcal{I}_{3}$ $\displaystyle\leq$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\int_{|y||\xi|<1}(\sin(\xi\cdot y)-y\cdot\xi\chi(y))a(y)J(y)~{}dy\right|^{2}d\xi$ $\displaystyle=$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\int_{|y||\xi|<1}\int_{0}^{1}\frac{d}{dt}(\sin(t\xi\cdot y)-ty\cdot\xi\chi(y))~{}dt~{}a(y)J(y)~{}dy\right|^{2}d\xi$ $\displaystyle=$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\int_{|y||\xi|<1}(\xi\cdot y)\int_{0}^{1}(\cos(t\xi\cdot y)-\chi(y))~{}dt~{}a(y)J(y)~{}dy\right|^{2}d\xi$ $\displaystyle=$ $\displaystyle I_{\sigma\leq 1}N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\int_{|y||\xi|<1}(\xi\cdot y)\int_{0}^{1}\cos(t\xi\cdot y)~{}dt~{}a(y)J(y)~{}dy\right|^{2}d\xi$ $\displaystyle+I_{\sigma>1}N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\int_{|y||\xi|<1}(\xi\cdot y)\int_{0}^{1}(\cos(t\xi\cdot y)-1)~{}dt~{}a(y)J(y)~{}dy\right|^{2}d\xi.$ Observe that by H1, for any $t\in(0,1)$, $\Psi(t|\xi|)=\int_{\mathbb{R}^{d}}(1-\cos(ty\cdot\xi))J(y)dy=t^{-d}\int_{\mathbb{R}^{d}}(1-\cos(y\cdot\xi)J(t^{-1}y)dy\leq Nt^{\alpha_{0}}\Psi(|\xi|).$ Thus, if $\sigma>1$, $\mathcal{I}_{3}\leq N\int_{\mathbb{R}^{d}}|\mathcal{F}(u)|^{2}\left(\int^{1}_{0}\Psi(t|\xi|)dt\right)^{2}\,d\xi\leq N\|\mathcal{A}u\|^{2}_{L_{2}}.$ Also, if $\sigma>1$, $\displaystyle\tilde{\mathcal{I}}_{3}$ $\displaystyle\leq$ $\displaystyle(2\pi)^{-d}\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\int_{|y||\xi|<1}(\xi\cdot y)\int_{0}^{1}\cos(t\xi\cdot y)I_{|y|\geq 1}~{}dt~{}a(y)J(y)~{}dy\right|^{2}d\xi$ $\displaystyle+(2\pi)^{-d}\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left|\int_{|y||\xi|<1}(\xi\cdot y)\int_{0}^{1}(1-\cos(t\xi\cdot y))~{}dt~{}a(y)J(y)~{}dy\right|^{2}d\xi$ $\displaystyle\leq$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left(\int_{|y|\geq 1}J(y)dy\right)^{2}\,d\xi+N\int_{\mathbb{R}^{d}}|\mathcal{F}(u)|^{2}\left(\int^{1}_{0}\Psi(t|\xi|)dt\right)^{2}\,d\xi$ $\displaystyle\leq$ $\displaystyle N\|u\|^{2}_{\mathcal{H}_{2}^{\mathcal{A}}}.$ Thus (3.41) is proved if $\sigma>1$, and (3.39) and (3.40) are obtained for general $u\in\mathcal{H}_{2}^{\mathcal{A}}$ owing to (3.41). Therefore (ii) is proved. Now assume $\sigma\leq 1$. To estimate $\mathcal{I}_{3}$ we use the Fubini’s Theorem, the change of variable $|\xi|ty\to y$, H1, H2, and Lemma 2.14 $\displaystyle\mathcal{I}_{3}$ $\displaystyle\leq$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}$ $\displaystyle\quad\quad\quad\times\left|\int_{0}^{1}t^{-d-1}|\xi|^{-d}\int_{|y|<t}(\frac{\xi}{|\xi|}\cdot y)\cos(\frac{\xi}{|\xi|}\cdot y)a(\frac{y}{|\xi|t})J(\frac{y}{|\xi|t})~{}dydt\right|^{2}d\xi$ $\displaystyle\leq$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left||\xi|^{-d}\int_{0}^{1}t^{-d-1}\int_{|y|<1}|y|J(\frac{y}{|\xi|t})~{}dydt\right|^{2}d\xi$ $\displaystyle\leq$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left||\xi|^{-d}\int_{0}^{1}t^{\alpha_{0}-1}~{}dt\int_{|y|<1}|y|J(y/|\xi|)~{}dy\right|^{2}d\xi$ $\displaystyle\leq$ $\displaystyle N\int_{\mathbb{R}^{d}}|\mathcal{F}u(\xi)|^{2}\left||\xi|^{-d}j(1/|\xi|)\right|^{2}d\xi\leq N\|\mathcal{A}u\|^{2}_{L_{2}}.$ Therefore the lemma is proved. $\Box$ Corollary 2.7 and Lemmas 2.6 and 3.1 easily prove Theorem 2.8. ## 4\. Some Hölder estimates In this section obtain some Hölder estimates for functions $u\in\mathcal{H}_{2}^{\mathcal{A}}\cap C_{b}^{\infty}$. The estimates will be used later for the estimates of the mean oscillation. Throughout this section we assume Assumption 2.15 holds if $\sigma=1$. ###### Lemma 4.1. For any $\alpha\in(0,1)$, $b\in\mathbb{R}^{d}$, and a nonnegative measurable function $\mathcal{K}(z)$, there exist $\eta_{1},\eta_{2}\in(0,1/4)$, depending only on $\alpha$, such that $\displaystyle\int_{\mathcal{C}}[\left(|b+2z|^{\alpha}+|b-2z|^{\alpha}-2|b|^{\alpha}\right)\mathcal{K}(z)]~{}dz$ (4.43) $\displaystyle\leq$ $\displaystyle-2^{\alpha-3}\alpha(1-\alpha)\int_{\mathcal{C}}|b|^{\alpha-2}|z|^{2}\mathcal{K}(z)dz,$ where $\mathcal{C}=\\{|z|<\eta_{1}|b|:|z\cdot b|\geq(1-\eta_{2})|b||z|\\}.$ ###### Proof. We repeat the proof of Lemma 4.2 in [9] with few minor changes. Put $\eta(t):=b+2tz$ and $\varphi(t):=|b+2tz|^{\alpha}=|\eta(t)|^{\alpha}$ for $z\in\mathcal{C}$. Then $\displaystyle\varphi^{\prime\prime}(t)$ $\displaystyle=$ $\displaystyle\sum_{i,j=1}^{d}\left(\alpha(\alpha-2)(\eta_{i}(t))(\eta_{j}(t))|\eta(t)|^{\alpha-4}+I_{i=j}\alpha|\eta(t)|^{\alpha-2}\right)4z_{i}z_{j}$ $\displaystyle=$ $\displaystyle 4\alpha(\alpha-2)|\eta(t)|^{\alpha-4}|\eta(t)\cdot z|^{2}+4\alpha|\eta(t)|^{\alpha-2}|z|^{2}$ $\displaystyle=$ $\displaystyle 4\alpha|b+2tz|^{\alpha-4}[(\alpha-2)|(b+2tz)\cdot z|^{2}+|b+2tz|^{2}|z|^{2}].$ For $t\in[-1,1]$ and $z\in\mathcal{C}$, observer that, $|b+2tz|^{2}\leq(1+2\eta_{1})^{2}|b|^{2}$ and $\displaystyle|(b+2tz)\cdot z|$ $\displaystyle=$ $\displaystyle|b\cdot z+2t|z|^{2}|\geq|b\cdot z|-2|z|^{2}$ $\displaystyle\geq$ $\displaystyle(1-\eta_{2})|b||z|-2|z|^{2}\geq(1-2\eta_{1}-\eta_{2})|z||b|.$ Thus $\displaystyle\varphi^{\prime\prime}(t)\leq 4\alpha|a+2tz|^{\alpha-4}[(\alpha-2)(1-2\eta_{1}-\eta_{2})^{2}+(1+2\eta_{1})^{2}]|b|^{2}|z|^{2}.$ (4.44) Since $(1-2\eta_{1}-\eta_{2})^{2}\to 1$ and $(1+2\eta_{1})^{2}\to 1$ as $\eta_{1},\eta_{2}\downarrow 0$, one can choose sufficiently small $\eta_{1},\eta_{2}\in(0,1/4)$, depending only on $\alpha\in(0,1)$, such that $(\alpha-2)(1-2\eta_{1}-\eta_{2})^{2}+(1+2\eta_{1})^{2}\leq(\alpha-1)/2.$ By combining this with (4.44) $\displaystyle\varphi^{\prime\prime}(t)\leq-2\alpha(1-\alpha)|b+2tz|^{\alpha-4}|b|^{2}|z|^{2}.$ (4.45) Furthermore observe that $\displaystyle|b+2tz|^{\alpha-4}\geq(1+2\eta_{1})^{\alpha-4}|b|^{\alpha-4}\geq 2^{\alpha-4}|b|^{\alpha-4}.$ Therefore, from (4.45) $\displaystyle\varphi^{\prime\prime}(t)\leq-2^{\alpha-3}\alpha(1-\alpha)|b|^{\alpha-2}|z|^{2},\quad t\in[-1,1],~{}z\in\mathcal{C}.$ In addition to this, to prove (4.43), it is enough to use the fact that there exists $t_{0}\in(-1,1)$ satisfying $\varphi(1)+\varphi(-1)-2\varphi(0)=\varphi^{\prime\prime}(t_{0}),$ which can be shown by the mean value theorem. The lemma is proved. $\Box$ ###### Theorem 4.2. Let $R>0,\lambda\geq 0$ and H1 hold. Suppose $f\in L_{\infty}(B_{1})$ and $u,\tilde{u}\in C_{b}^{2}(B_{R})\cap L_{1}(\mathbb{R}^{d},w_{R})$, where $w_{R}(x)=\frac{1}{1/j(R)+1/J(x/2)}$. Also assume $\displaystyle Lu-\lambda u=f,\quad\quad\tilde{L}\tilde{u}-\lambda\tilde{u}=f\quad\text{in}~{}\,\,B_{R}.$ (4.46) (i) For any $\alpha\in(0,\min\\{1,\alpha_{0}\\})$ and $0<r<R$, it holds that $\displaystyle[u]_{C^{\alpha}(B_{r})}$ $\displaystyle\leq$ $\displaystyle Nr_{1}^{-\alpha}\|u\|_{L_{\infty}(B_{R})}$ (4.47) $\displaystyle+N\frac{\|u\|_{L_{\infty}(B_{R})}}{j(r_{1})r_{1}^{d+\alpha}}\Big{(}r_{1}^{-2}\int_{B_{r_{1}}}|z|^{2}J(z)~{}dz+I_{\sigma<1}r_{1}^{-1}\int_{B_{r_{1}}}|z|J(z)~{}dz\Big{)}$ $\displaystyle+N\Big{(}\frac{1}{r^{d+\alpha}_{1}j(R)}\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})}+\frac{1}{j(r_{1})r_{1}^{d+\alpha}}\text{osc}_{B_{R}}f\Big{)},$ where $r_{1}=(R-r)/2$ and $N=N(d,\nu,\Lambda,\kappa_{1},\alpha_{0},\alpha)$. Consequently, if H2 is additionally assumed, then $[u]_{C^{\alpha}(B_{r})}\leq N\left(r_{1}^{-\alpha}\|u\|_{L_{\infty}(B_{R})}+\frac{1}{r_{1}^{d+\alpha}j(R)}\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})}+\frac{\text{osc}_{B_{R}}f}{j(r_{1})r_{1}^{d+\alpha}}\right).$ (4.48) (ii) In addition to H1, let one of H3(ii)- H3(iv) hold. Then (4.47) holds for $\tilde{u}$. Consequently, if H2 additionally holds, (4.48) holds for $\tilde{u}$. ###### Proof. We adopt the method used in [9] (cf. [3]). Assume that $u$ is not identically zero in $B_{r}$. Set $r_{1}=(R-r)/2,\quad r_{2}=(R+r)/2,\quad w(t,x)=I_{B_{R}}(x)u(t,x).$ For $x\in B_{r_{2}}$, $u(x)=v(x)$ and $\nabla u(x)=\nabla w(x)$. Thus $\displaystyle Lu(x)=Lw(t,x)+\int_{|z|\geq r_{1}}\left(u(t,x+z)-w(t,x+z)\right)a(z)J(z)dz.$ So in $B_{r_{2}}$ $\displaystyle Lw(x)-\lambda w=g(x)+f(x),$ (4.49) where $g(x)=-\int_{|z|\geq r_{1}}\left(u(x+z)-w(x+z)\right)a(z)J(z)dz.$ Note that by H1 $\displaystyle\|g\|_{L_{\infty}(B_{R})}\leq N\frac{j(r_{1})}{j(R)}\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})},$ (4.50) where $N=N(d,\Lambda)$. Indeed, this comes from the fact that for all $|z|\geq r_{1}$, $x\in B_{R}$, and $|x+z|\leq R$ $\displaystyle|j(z)|\leq Nj(r_{1})\leq\frac{j(r_{1})}{j(R)}\cdot\frac{N}{1/j(R)+1/j(|x+z|/2)}.$ For $x_{0}\in B_{r}$ and $\alpha\in(0,\min\\{1,\alpha_{0}\\})$, we define $M(x,y):=w(x)-w(y)-C|x-y|^{\alpha}-8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}|x-x_{0}|^{2},$ where $C$ is a positive constant which will be chosen later so that it is independent of $x_{0}$ and $\displaystyle\sup_{x,y\in\mathbb{R}^{d}}M(x,y)\leq 0.$ (4.51) For $x\in\mathbb{R}^{d}\setminus B_{r_{1}/2}(x_{0})$, $\displaystyle w(x)-w(y)\leq 2\|u\|_{L_{\infty}(B_{R})}\leq 8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}|x-x_{0}|^{2}.$ (4.52) This shows $M(x,y)\leq 0,\quad x\in\mathbb{R}^{d}\setminus B_{r_{1}/2}(x_{0}).$ Assume that there exist $x,y\in\mathbb{R}^{d}$ such that $M(x,y)>0$. We will get the contradiction by choosing an appropriate constant $C$. Due to (4.52), $x\in B_{r_{1}/2}(x_{0})$. Moreover $\displaystyle w(x)-w(y)>C|x-y|^{\alpha},$ which implies $\displaystyle|x-y|^{\alpha}<\frac{2\|u\|_{L_{\infty}(B_{R})}}{C}.$ (4.53) If we take $C$ large enough so that $C\geq 2(r_{1}/2)^{-\alpha}\|u\|_{L_{\infty}(B_{R})}$, then $y\in B_{r+r_{1}}.$ Therefore, there exist $\bar{x},\bar{y}\in B_{r+r_{1}}$ satisfying $\sup_{x,y\in\mathbb{R}^{d}}M(x,y)=M(\bar{x},\bar{y})>0.$ Moreover, from (4.49) $\displaystyle-2\|g\|_{L_{\infty}(B_{R})}-\text{osc}_{B_{R}}f$ $\displaystyle\leq$ $\displaystyle(Lw(\bar{x})-\lambda w(\bar{x}))-(Lw(\bar{y})-\lambda w(\bar{y}))$ (4.54) $\displaystyle=$ $\displaystyle(Lw(\bar{x})-Lw(\bar{y}))+\lambda(w(\bar{y})-w(\bar{x}))$ $\displaystyle\leq$ $\displaystyle Lw(\bar{x})-Lw(\bar{y}):=\mathcal{I}.$ Put $K(z):=a(z)J(z)$ and $K_{1}(z):=K(z)\wedge K(-z),\quad K_{2}(z):=K(z)-K_{1}(z).$ By $L_{1}$ and $L_{2}$, respectively, we denote the operators with kernels $K_{1}$ and $K_{2}$. Then $\mathcal{I}=\mathcal{I}_{1}+\mathcal{I}_{2},$ where $\mathcal{I}_{1}:=L_{1}w(\bar{x})-L_{1}w(\bar{y})\quad\text{and}\quad\mathcal{I}_{2}:=L_{2}w(\bar{x})-L_{2}w(\bar{y}).$ Since $K_{1}$ is symmetric (i.e. $K_{1}(z)=K_{1}(-z)$), $\mathcal{I}_{1}=\frac{1}{2}\int_{\mathbb{R}^{d}}\mathcal{J}(\bar{x},\bar{y},z)K_{1}(z)dz,$ where $\mathcal{J}(\bar{x},\bar{y},z)=w(\bar{x}+z)+w(\bar{x}-z)-2w(\bar{x})-w(\bar{y}+z)-w(\bar{y}-z)+2w(\bar{y}).$ Also, since $M(x,y)$ attains its maximum at $(\bar{x},\bar{y})$, $\displaystyle w(\bar{x}+z)-w(\bar{y}+z)-C|\bar{x}-\bar{y}|^{\alpha}-8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}|\bar{x}+z-x_{0}|^{2}$ (4.55) $\displaystyle\leq$ $\displaystyle w(\bar{x})-w(\bar{y})-C|\bar{x}-\bar{y}|^{\alpha}-8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}|\bar{x}-x_{0}|^{2}$ and $\displaystyle w(\bar{x}-z)-w(\bar{y}-z)-C|\bar{x}-\bar{y}|^{\alpha}-8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}|\bar{x}-z-x_{0}|^{2}$ (4.56) $\displaystyle\leq$ $\displaystyle w(\bar{x})-w(\bar{y})-C|\bar{x}-\bar{y}|^{\alpha}-8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}|\bar{x}-x_{0}|^{2}$ for all $z\in\mathbb{R}^{d}$. By combining these two inequalities, $\displaystyle\mathcal{J}(\bar{x},\bar{y},z)\leq 8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}\left(|\bar{x}+z-x_{0}|^{2}+|\bar{x}-z-x_{0}|^{2}-2|\bar{x}-x_{0}|^{2}\right).$ (4.57) Similarly, $\displaystyle w(\bar{x}+z)-w(\bar{y}-z)-C|\bar{x}-\bar{y}+2z|^{\alpha}-8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}|\bar{x}+z-x_{0}|^{2}$ $\displaystyle\leq$ $\displaystyle w(\bar{x})-w(\bar{y})-C|\bar{x}-\bar{y}|^{\alpha}-8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}|\bar{x}-x_{0}|^{2},$ $\displaystyle w(\bar{x}-z)-w(\bar{y}+z)-C|\bar{x}-\bar{y}-2z|^{\alpha}-8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}|\bar{x}-z-x_{0}|^{2}$ $\displaystyle\leq$ $\displaystyle w(\bar{x})-w(\bar{y})-C|\bar{x}-\bar{y}|^{\alpha}-8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}|\bar{x}-x_{0}|^{2}.$ It follows that, for any $z\in\mathbb{R}^{d}$, $\displaystyle\mathcal{J}(\bar{x},\bar{y},z)$ $\displaystyle\leq$ $\displaystyle C\left(|\bar{x}-\bar{y}+2z|^{\alpha}+|\bar{x}-\bar{y}-2z|^{\alpha}-2|\bar{x}-\bar{y}|^{\alpha}\right)$ $\displaystyle+8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}\left(|\bar{x}+z-x_{0}|^{2}+|\bar{x}-z-x_{0}|^{2}-2|\bar{x}-x_{0}|^{2}\right).$ Put $b=\bar{x}-\bar{y}$. Since $(\bar{x},\bar{y})$ satisfy (4.53), $|b|<r_{1}/2$ if $C\geq 2(r_{1}/2)^{-\alpha}\|u\|_{L_{\infty}(B_{R})}$. Also set for $\eta_{1},\eta_{2}\in(0,1/4)$ specified in Lemma 4.1, $\mathcal{C}=\\{|z|<\eta_{1}|b|:|z\cdot b|\geq(1-\eta_{2})|b||z|\\}.$ Then $\displaystyle 2\mathcal{I}_{1}$ $\displaystyle=$ $\displaystyle\int_{|z|\geq r_{1}/2}\mathcal{J}(\bar{x},\bar{y},z)K_{1}(z)~{}dz+\int_{B_{r_{1}/2}\setminus\mathcal{C}}\mathcal{J}(\bar{x},\bar{y},z)K_{1}(z)~{}dz$ (4.59) $\displaystyle+\int_{\mathcal{C}}\mathcal{J}(\bar{x},\bar{y},z)K_{1}(z)~{}dz:=\mathcal{I}_{11}+\mathcal{I}_{12}+\mathcal{I}_{13}.$ Note that by H1, $\mathcal{I}_{11}\leq Nj(r_{1}/2)r_{1}^{d}\|u\|_{L_{\infty}(B_{R})}.$ Indeed, $\displaystyle\mathcal{I}_{11}$ $\displaystyle\leq$ $\displaystyle N\|u\|_{L_{\infty}(B_{R})}\int_{|z|\geq r_{1}/2}J(z)~{}dz$ $\displaystyle\leq$ $\displaystyle Nr_{1}^{d}\|u\|_{L_{\infty}(B_{R})}\int_{|z|\geq 1}J(r_{1}z/2)~{}dz$ $\displaystyle\leq$ $\displaystyle Nj(r_{1}/2)r_{1}^{d}\|u\|_{L_{\infty}(B_{R})}\int_{|z|\geq 1}|z|^{-d-\alpha_{0}}~{}dz.$ On the other hand from (4.57), it follows that $\displaystyle\mathcal{I}_{12}$ $\displaystyle\leq$ $\displaystyle 8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}\int_{B_{r_{1}/2}\setminus\mathcal{C}}\left(|\bar{x}+z-x_{0}|^{2}+|\bar{x}-z-x_{0}|^{2}-2|\bar{x}-x_{0}|^{2}\right)K_{1}(z)~{}dz$ $\displaystyle\leq$ $\displaystyle Nr_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}\int_{B_{r_{1}/2}}|z|^{2}J(z)~{}dz.$ Next using (4) we obtain $\displaystyle\mathcal{I}_{13}\leq C\int_{\mathcal{C}}\left(|\bar{x}-\bar{y}+2z|^{\alpha}+|\bar{x}-\bar{y}-2z|^{\alpha}-2|\bar{x}-\bar{y}|^{\alpha}\right)K_{1}(z)~{}dz$ $\displaystyle+8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}\int_{\mathcal{C}}\left(|\bar{x}+z-x_{0}|^{2}+|\bar{x}-z-x_{0}|^{2}-2|\bar{x}-x_{0}|^{2}\right)K_{1}(z)~{}dz$ $\displaystyle:=\mathcal{I}_{131}+\mathcal{I}_{132}.$ The term $\mathcal{I}_{132}$ is again bounded by $Nr_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}\int_{B_{r_{1}/2}}|z|^{2}J(z)~{}dz.$ Furthermore, from lemma 4.1 $\mathcal{I}_{131}\leq-2^{\alpha-3}C\alpha(1-\alpha)\int_{\mathcal{C}}|b|^{\alpha-2}|z|^{2}K_{1}(z)dz.$ Combining all these facts above, we obtain $\displaystyle\mathcal{I}_{1}$ $\displaystyle\leq$ $\displaystyle N\|u(\cdot)\|_{L_{\infty}(B_{R})}\left(j(r_{1}/2)r_{1}^{d}+r_{1}^{-2}\int_{B_{r_{1}/2}}|z|^{2}J(z)~{}dz\right)$ (4.60) $\displaystyle-2^{\alpha-3}C\alpha(1-\alpha)\int_{\mathcal{C}}|b|^{\alpha-2}|z|^{2}K_{1}(z)dz.$ For $\mathcal{I}_{2}$, we first consider the case $\sigma<1$. In this case, $\displaystyle\mathcal{I}_{2}$ $\displaystyle=$ $\displaystyle\int_{|z|\geq r_{1}/2}\left(w(\bar{x}+z)-w(\bar{x})-w(\bar{y}+z)+w(\bar{y})\right)K_{2}(z)~{}dz$ $\displaystyle+~{}\int_{B_{r_{1}/2}}\left(w(\bar{x}+z)-w(\bar{x})-w(\bar{y}+z)+w(\bar{y})\right)K_{2}(z)~{}dz:=\mathcal{I}_{21}+\mathcal{I}_{22}.$ Analogously to $\mathcal{I}_{11}$, we bound $\mathcal{I}_{21}$ by $Nj(r_{1}/2)r_{1}^{d}\|u\|_{L_{\infty}(B_{R})}$. For the other term $\mathcal{I}_{22}$, since $|\bar{x}-x_{0}|<r_{1}/2$, from (4.55) $\displaystyle\mathcal{I}_{22}$ $\displaystyle\leq$ $\displaystyle Nr_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}\int_{B_{r_{1}/2}}\left(|\bar{x}+z-x_{0}|^{2}-|\bar{x}-x_{0}|^{2}\right)K_{2}(z)~{}dz$ $\displaystyle\leq$ $\displaystyle Nr_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}\int_{B_{r_{1}/2}}\left(|z|^{2}+2|z||\bar{x}-x_{0}|\right)J(z)~{}dz$ $\displaystyle\leq$ $\displaystyle Nr_{1}^{-1}\|u\|_{L_{\infty}(B_{R})}\int_{B_{r_{1}/2}}|z|J(z)~{}dz.$ So $\displaystyle\mathcal{I}_{2}\leq N\|u\|_{L_{\infty}(B_{R})}\Big{(}\,j(r_{1}/2)r_{1}^{d}+r_{1}^{-1}\int_{B_{r_{1}/2}}|z|J(z)~{}dz\Big{)}.$ (4.61) By combining (4.50), (4.54), (4.60) and (4.61), $\displaystyle 0$ $\displaystyle\leq$ $\displaystyle N_{1}\Big{(}\text{osc}_{B_{R}}f+\frac{j(r_{1})}{j(R)}\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})}$ $\displaystyle\quad\quad+\|u\|_{L_{\infty}(B_{R})}\big{[}j(r_{1}/2)r_{1}^{d}+r_{1}^{-1}\int_{B_{r_{1}/2}}|z|J(z)~{}dz\big{]}\Big{)}$ $\displaystyle-2^{\alpha-3}C\alpha(1-\alpha)\int_{\mathcal{C}}|b|^{\alpha-2}|z|^{2}K_{1}(z)~{}dz.$ Thus, if $C\geq C_{1}:=2(r_{1}/2)^{-\alpha}\|u\|_{L_{\infty}(B_{R})}$ and $\displaystyle C$ $\displaystyle\geq$ $\displaystyle C_{2}:=N_{1}C_{3}\Big{(}\text{osc}_{B_{R}}f+\frac{j(r_{1})}{j(R)}\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})}$ $\displaystyle\quad\quad+\|u\|_{L_{\infty}(B_{R})}\Big{[}j(r_{1}/2)r_{1}^{d}+r_{1}^{-1}\int_{B_{r_{1}/2}}|z|J(z)~{}dz\Big{]}\Big{)},$ then $\displaystyle 0$ $\displaystyle\leq$ $\displaystyle N_{1}\Big{(}\text{osc}_{B_{R}}f+\frac{j(r_{1})}{j(R)}\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})}$ $\displaystyle\quad\quad+\|u\|_{L_{\infty}(B_{R})}\Big{[}j(r_{1}/2)r_{1}^{d}+r_{1}^{-1}\int_{B_{r_{1}/2}}|z|J(z)~{}dz\Big{]}\Big{)}$ $\displaystyle\times\Big{(}1-C_{3}2^{\alpha-3}\alpha(1-\alpha)\int_{\mathcal{C}}|b|^{\alpha-2}|z|^{2}K_{1}(z)~{}dz\Big{)}$ $\displaystyle:=$ $\displaystyle(1-C_{3}C_{4}(b)).$ If we take $C_{3}$ so that $C_{3}=1/C_{5}$ for a $C_{5}=C_{5}(r_{1},\alpha)<C_{4}(b)$ which does not depend on $b$ and will be chosen below, we get the contradiction. To select $C_{5}$, observe that with H1 and the fact $|b|\leq r_{1}/2$ $\displaystyle C_{4}(b)$ $\displaystyle=$ $\displaystyle 2^{\alpha-3}\alpha(1-\alpha)\int_{\mathcal{C}}|b|^{\alpha-2}|z|^{2}K_{1}(z)dz$ $\displaystyle\geq$ $\displaystyle\nu 2^{\alpha-3}\alpha(1-\alpha)\int_{\mathcal{C}}|b|^{\alpha-2}|z|^{2}J(z)dz$ $\displaystyle\geq$ $\displaystyle\kappa_{1}^{-1}\nu 2^{\alpha-3}\alpha(1-\alpha)j(\eta_{1}|b|)\int_{\mathcal{C}}|b|^{\alpha-2}|z|^{2}dz$ $\displaystyle\geq$ $\displaystyle\kappa_{1}^{-1}\nu 2^{\alpha-3}\alpha(1-\alpha)j(\eta_{1}|b|)|b|^{\alpha-2}|\eta_{1}b|^{d+2}\int_{\mathcal{C}_{\eta_{2}}}|z|^{2}dz$ $\displaystyle\geq$ $\displaystyle\kappa_{1}^{-1}\nu\eta_{1}^{d+2}2^{\alpha-3}\alpha(1-\alpha)j(|b|)|b|^{d+\alpha}\int_{\mathcal{C}_{\eta_{2}}}|z|^{2}dz$ $\displaystyle\geq$ $\displaystyle\kappa_{1}^{-2}\nu j(r_{1}/2)(r_{1}/2)^{d+\alpha}\eta_{1}^{d+2}2^{\alpha-3}\alpha(1-\alpha)\int_{\mathcal{C}_{\eta_{2}}}|z|^{2}dz$ $\displaystyle=$ $\displaystyle j(r_{1}/2)r_{1}^{d+\alpha}N(\alpha,\eta_{1},\eta_{2}):=C_{5},$ where $\mathcal{C}=\\{|z|<\eta_{1}|b|:|z\cdot b|\geq(1-\eta_{2})|b||z|\\}$ and $\mathcal{C}_{\eta_{2}}=\\{|z|<1:\frac{|z\cdot b|}{|b||z|}\geq(1-\eta_{2})\\}$. Therefore, (4.51) holds with $C=C_{1}+C_{2}$. Since $C$ is independent of $x_{0}$, (4.47) is proved. Next we consider the case $\sigma=1$. Note that, because $K_{1}$ is symmetric, both $K_{1}$ and $K_{2}$ satisfy (2.26). Therefore, we can replace $1_{B_{1}}$ with $I_{B_{r_{1}}}$ in the definition of $L_{2}$, and get $\mathcal{I}_{2}=\mathcal{I}_{21}+\mathcal{I}_{22}$, where $\displaystyle\mathcal{I}_{21}=\int_{|z|\geq r_{1}/2}\left(w(\bar{x}+z)-w(\bar{x})-w(\bar{y}+z)+w(\bar{y})\right)K_{2}(z)~{}dz,$ $\displaystyle\mathcal{I}_{22}=\int_{B_{r_{1}/2}}\left(w(\bar{x}+z)-w(\bar{x})-w(\bar{y}+z)+w(\bar{y})-z\cdot(\nabla w(\bar{x})-\nabla w(\bar{y}))\right)K_{2}(z)~{}dz.$ $\mathcal{I}_{21}$ is already estimated in the previous case. Thus we only consider $\mathcal{I}_{22}$. Since $M(x,y)$ attains its maximum at the interior point $(\bar{x},\bar{y})$, we have $\nabla_{x}M(\cdot,\bar{y})(\bar{x})=0$, $\nabla_{y}M(\bar{x},\cdot)(\bar{y})=0$, and therefore $\displaystyle\nabla w(\bar{x})-\nabla w(\bar{y})=16r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}(\bar{x}-x_{0}).$ (4.62) We use (4.55) and (4.62) to get $\displaystyle\mathcal{I}_{22}$ $\displaystyle\leq$ $\displaystyle 8r_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}\int_{B_{r_{1}/2}}|z|^{2}K_{2}(z)~{}dz$ $\displaystyle\leq$ $\displaystyle 8r_{1}^{-2}\int_{B_{r_{1}/2}}|z|^{2}J(z)~{}dz\|u\|_{L_{\infty}(B_{R})}.$ Therefore, (4.47) is proved following the argument in the case $\sigma<1$. Finally, let $\sigma>1$. Now we have $\mathcal{I}_{2}=\mathcal{I}_{21}+\mathcal{I}_{22}$, where $\mathcal{I}_{21}=\int_{|z|\geq r_{1}/2}[w(\bar{x}+z)-w(\bar{x})-w(\bar{y}+z)+w(\bar{y})-z\cdot(\nabla w(\bar{x})-\nabla w(\bar{y}))]K_{2}(z)~{}dz,$ $\mathcal{I}_{22}=\int_{B_{r_{1}/2}}[w(\bar{x}+z)-w(\bar{x})-w(\bar{y}+z)+w(\bar{y})-z\cdot(\nabla w(\bar{x})-\nabla w(\bar{y}))]K_{2}(z)~{}dz.$ Since $\sigma>1$, $|\bar{x}-x_{0}|<r_{1}/2$, by (4.62) and H1 $\displaystyle\mathcal{I}_{21}$ $\displaystyle\leq$ $\displaystyle\int_{|z|\geq r_{1}/2}[4\|u\|_{L_{\infty}(B_{R})}+4(r_{1}/2)^{-1}\|u\|_{L_{\infty}(B_{R})}|z|]K_{2}(z)~{}dz~{}$ $\displaystyle\leq$ $\displaystyle Nr_{1}^{d}j(r_{1}/2)\|u\|_{L_{\infty}(B_{R})}.$ For $\mathcal{I}_{22}$, we apply (4.55) and (4.62) to get $\displaystyle\mathcal{I}_{22}$ $\displaystyle\leq$ $\displaystyle Nr_{1}^{-2}\|u\|_{L_{\infty}(B_{R})}\int_{B_{r_{1}/2}}|z|^{2}J(z)~{}dz.$ So we again argue as in the first case to get the contradiction. Hence (i) is proved. The proof of (ii) is quite similar to that of (i). Denote the counter parts of $w$ and $g$ by $\tilde{w}$ and $\tilde{g}$, respectively. Also we introduce $\mathcal{I}_{1}$ and $\mathcal{I}_{2}$ similarly. That is $\mathcal{I}_{1}$ is same as before, and $\mathcal{I}_{2}$ is given by $\displaystyle\mathcal{I}_{2}$ $\displaystyle=$ $\displaystyle\int_{|z|\geq r_{1}/2}\Big{[}\tilde{w}(\bar{x}+z)-\tilde{w}(\bar{x})-\tilde{w}(\bar{y}+z)+\tilde{w}(\bar{y})$ $\displaystyle\quad- I_{B_{1}}(z)z\cdot\nabla(\tilde{w}(\bar{x})-\tilde{w}(\bar{y}))\Big{]}K_{2}(z)~{}dz$ $\displaystyle+\int_{B_{r_{1}/2}}\Big{[}\tilde{w}(\bar{x}+z)-\tilde{w}(\bar{x})-\tilde{w}(\bar{y}+z)+\tilde{w}(\bar{y})$ $\displaystyle\quad- I_{B_{1}}(z)z\cdot\nabla(\tilde{w}(\bar{x})-\tilde{w}(\bar{y}))\Big{]}K_{2}(z)~{}dz$ $\displaystyle:=$ $\displaystyle\mathcal{I}_{21}+\mathcal{I}_{22}.$ All of the differences are as follows. If $r_{1}/2\geq 1$, then by using (4.55) and (4.62), $\displaystyle\mathcal{I}_{22}$ $\displaystyle\leq$ $\displaystyle Nr_{1}^{-2}\|\tilde{u}\|_{L_{\infty}(B_{R})}\Big{[}\int_{B_{1}}|z|^{2}K_{2}(z)~{}dz+\int_{1\leq|z|\leq r_{1}/2}(|z|^{2}+(\bar{x}-x_{0})\cdot z)K_{2}(z)~{}dz\Big{]}$ $\displaystyle\leq$ $\displaystyle NI_{\sigma<1}r_{1}^{-1}\|\tilde{u}\|_{L_{\infty}(B_{R})}\int_{B_{r_{1}/2}}|z|J(z)~{}dz$ $\displaystyle+NI_{\sigma>1}r_{1}^{-2}\|\tilde{u}\|_{L_{\infty}(B_{R})}\int_{B_{r_{1}/2}}|z|^{2}J(z)~{}dz.$ In the above, we also used $\int_{1\leq|z|\leq r_{1}/2}z^{i}K_{2}(z)dz=0$ if $\sigma>1$ (due to H3(iv)). Let $\sigma<1$ and $r_{1}/2<1$. If H3(ii) hold, then by (2.17), $\displaystyle\mathcal{I}_{21}$ $\displaystyle\leq$ $\displaystyle N\|u\|_{L_{\infty}(B_{R})}\int_{|z|\geq r_{1}/2}J(z)~{}dz$ $\displaystyle=$ $\displaystyle Nr_{1}^{d}\int_{|z|\geq 1}J(r_{1}z/2)dz\leq Nj(r_{1}/2)r_{1}^{d}\|u\|_{L_{\infty}(B_{R})}.$ Also, if H3(iii) holds, then by using (4.62), $\displaystyle\mathcal{I}_{21}$ $\displaystyle\leq$ $\displaystyle\|u\|_{L_{\infty}(B_{R})}\int_{|z|\geq r_{1}/2}[1+8r_{1}^{-1}|z|]K_{2}(z)~{}dz$ $\displaystyle\leq$ $\displaystyle Nj(r_{1}/2)r_{1}^{d}\|u\|_{L_{\infty}(B_{R})}.$ This completes the proof of the theorem. $\Box$ We remove $\sup_{B_{R}}u$ on the right hand side of (4.48) in the following corollary. Recall $w_{R}(x)=\frac{1}{1/j(R)+1/J(x/2)}$. ###### Corollary 4.3. Suppose that H1 and H2 hold. Let $\lambda\geq 0$, $f\in L_{\infty}(B_{1})$, and $u,\tilde{u}\in C_{b}^{2}(B_{R})\cap L_{1}(\mathbb{R}^{d},w_{R})$ satisfy $\displaystyle Lu-\lambda u=f,\quad\quad\tilde{L}\tilde{u}-\lambda\tilde{u}=f\quad\quad\text{in}\quad B_{R}.$ (4.63) (i) For any $\alpha\in(0,\min\\{1,\alpha_{0}\\})$, it holds that $\displaystyle[u]_{C^{\alpha}(B_{R/2})}\leq\frac{N}{j(R)R^{d+\alpha}}\left(\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})}+\text{osc}_{B_{R}}f\right),$ (4.64) where $N=N(d,\nu,\Lambda,\kappa_{1},\alpha_{0},\alpha)$. (ii) If one of H3 (ii)-(iv) is additionally assumed, then (4.64) holds for $\tilde{u}$. ###### Proof. For $n=1,2,\ldots$, set $r_{n}:=R(1-2^{-n}).$ Observe that $(r_{n+1}-r_{n})/2=R2^{-n-2}\leq R$ and by H1 $\displaystyle\frac{1}{j(r_{n+1})}\|u\|_{L_{1}(\mathbb{R}^{d},w_{r_{n+1}})}$ $\displaystyle\leq$ $\displaystyle\left(\int_{|z|<2R}u(z)~{}dz+\frac{1}{j(r_{n+1})}\int_{|z|\geq 2R}u(z)j(z/2)~{}dz\right)$ $\displaystyle\leq$ $\displaystyle N\left(\int_{|z|<2R}u(z)~{}dz+\frac{1}{j(R)}\int_{|z|\geq 2R}u(z)j(z/2)~{}dz\right)$ $\displaystyle\leq$ $\displaystyle N\frac{1}{j(R)}\int_{\mathbb{R}^{d}}u(z)w_{R}(z)~{}dz.$ Then by Theorem 4.2 (i) and H1, $\displaystyle[u]_{C^{\alpha}(B_{r_{n}})}$ $\displaystyle\leq$ $\displaystyle NR^{-\alpha}2^{\alpha n}\sup_{B_{r_{n+1}}}|u|$ $\displaystyle+N\frac{2^{(d+\alpha)n}}{j(R2^{-n-2})R^{d+\alpha}}\left(\frac{j(R2^{-n-2})}{j(r_{n+1})}\|u\|_{L_{1}(\mathbb{R}^{d},w_{r_{n+1}})}+\text{osc}_{B_{r_{n+1}}}f\right)$ $\displaystyle\leq$ $\displaystyle N\Big{[}R^{-\alpha}2^{\alpha n}\sup_{B_{r_{n+1}}}|u|+\frac{2^{(d+\alpha)n}}{j(R)R^{d+\alpha}}\Big{(}\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})}+\text{osc}_{B_{R}}f\Big{)}\Big{]}.$ In order to estimate the term $\sup_{B_{r_{n+1}}}|u|$ above, we use the following : $\sup_{B_{r_{n+1}}}|u|\leq(\varepsilon{r_{n+1}})^{\alpha}[u]_{C^{\alpha}(r_{n+1})}+N(\varepsilon r_{n+1})^{-d}\|u\|_{L_{1}(B_{r_{n+1}})},\quad\varepsilon\in(0,1).$ (4.66) Actually this inequality can be easily obtained as follows. For all $\varepsilon\in(0,1)$, $x\in B_{r_{n+1}}$ and $y\in B_{r_{n+1}}\cap B_{\varepsilon r_{n+1}}(x)$, $\displaystyle|B_{r_{n+1}}\cap B_{\varepsilon r_{n+1}}(x)|\cdot|u(x)|$ $\displaystyle\leq$ $\displaystyle\int_{B_{r_{n+1}}\cap B_{\varepsilon r_{n+1}}(x)}\left(|u(x)-u(y)|+|u(y)|\right)~{}dy$ $\displaystyle\leq$ $\displaystyle|B_{r_{n+1}}\cap B_{\varepsilon r_{n+1}}(x)|\cdot(\varepsilon{r_{n+1}})^{\alpha}[u]_{C^{\alpha}(B_{r_{n+1}})}+\int_{B_{r_{n+1}}\cap B_{\varepsilon r_{n+1}}(x)}|u(y)|~{}dy.$ Now it is enough to note that $|B_{r_{n+1}}\cap B_{\varepsilon r_{n+1}}(x)|\sim(\varepsilon r_{n+1})^{d}$ because $\varepsilon\in(0,1)$ and $x\in B_{r_{n+1}}$. Take $N$ from (LABEL:3221) and define $\varepsilon$ so that $\varepsilon^{\alpha}=N^{-1}2^{-\alpha n}2^{-3d}.$ Then by combining (LABEL:3221) and (4.66), $\displaystyle[u]_{C^{\alpha}(B_{r_{n}})}$ $\displaystyle\leq$ $\displaystyle 2^{-3d}[u]_{C^{\alpha}(B_{r_{n+1}})}+NR^{-d-\alpha}2^{2dn}\|u\|_{L_{1}(B_{r_{n+1}})}$ (4.67) $\displaystyle+N\frac{2^{(d+\alpha)n}}{j(R)R^{d+\alpha}}(\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})}+\text{osc}_{B_{R}}f)$ $\displaystyle\leq$ $\displaystyle 2^{-3d}[u]_{C^{\alpha}(B_{r_{n+1}})}+NR^{-d-\alpha}2^{2dn}\|u\|_{L_{1}(B_{r_{n+1}})}$ $\displaystyle+N\frac{2^{2dn}}{j(R)R^{d+\alpha}}(\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})}+\text{osc}_{B_{R}}f).$ Multiply both sides of (4.67) by $2^{-3dn}$ and take the sum over $n$ to get $\displaystyle\sum_{n=1}^{\infty}2^{-3dn}[u]_{C^{\alpha}(B_{r_{n}})}$ $\displaystyle\leq$ $\displaystyle\sum_{n=1}^{\infty}2^{-3d(n+1)}[u]_{C^{\alpha}(B_{r_{n+1}})}+N\sum_{n=1}^{\infty}2^{-dn}R^{-d-\alpha}\|u\|_{L_{1}(B_{r_{n+1}})}$ $\displaystyle+N\Big{(}\sum_{n=1}^{\infty}2^{-dn}\Big{)}\frac{1}{j(R)R^{d+\alpha}}(\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})}+N\text{osc}_{B_{R}}f).$ Since $[u]_{C^{\alpha}(B_{r_{n}})}\leq[u]_{C^{\alpha}(B_{R})}<\infty$ and by H1 $\displaystyle\|u\|_{L_{1}(B_{r_{n+1}})}\leq\|u\|_{L_{1}(B_{R})}=\frac{j(R)}{j(R)}\|u\|_{L_{1}(B_{R})}\leq\frac{N}{j(R)}\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})},$ (i) is proved. (ii) is proved similarly by following the proof of (i) with Theorem 4.2 (ii). $\Box$ ## 5\. Some sharp function and maximal function estimates For $g\in L_{1,{\rm loc}}(\mathbb{R}^{d})$, the maximal function and sharp function are defined as follows : $\mathcal{M}g(x):=\sup_{r>0}-\int_{B_{r}(x)}|g(y)|~{}dy:=\sup_{r>0}\frac{1}{|B_{r}(x)|}\int_{B_{r}(x)}|g(y)|~{}dy,$ and $g^{\\#}(x):=\sup_{r>0}-\int_{B_{r}(x)}|g(y)-(g)_{B_{r}(x)}|~{}dy:=\sup_{r>0}\frac{1}{|B_{r}(x)|}\int_{B_{r}(x)}|g(y)-(g)_{B_{r}(x)}|~{}dy,$ where $(g)_{B_{r}(x)}=\frac{1}{|B_{r}(x)|}\int_{B_{r}(x)}g(y)~{}dy$ the average of $g$ on $B_{r}(x)$. ###### Lemma 5.1. Suppose that H1 and H2 hold. Let $\lambda\geq 0$, $R>0$, $f\in C_{0}^{\infty}$, and $f=0$ in $B_{2R}$. Assume that $u,\tilde{u}\in H_{2}^{\mathcal{A}}\cap C_{b}^{\infty}$ satisfy $Lu-\lambda u=f,\quad\quad\tilde{L}\tilde{u}-\lambda\tilde{u}=f.$ (5.68) (i) Then for all $\alpha\in(0,\min\\{1,\alpha_{0}\\})$, $[u]_{C^{\alpha}(B_{R/2})}\leq NR^{-\alpha}\sum_{k=1}^{\infty}2^{-\alpha_{0}k}(|u|)_{B_{2^{k}R}},$ (5.69) $[\mathcal{A}u]_{C^{\alpha}(B_{R/2})}\leq NR^{-\alpha}\left(\sum_{k=1}^{\infty}2^{-\alpha_{0}k}(|\mathcal{A}u|)_{B_{2^{k}R}}+\mathcal{M}f(0)\right),$ (5.70) where $N$ depends only on $d,\nu,\Lambda,\kappa_{1},\kappa_{2},\alpha_{0}$, and $\alpha$. (ii) If one of H3(ii)-(iv) is additionally assumed, then (5.69) and (5.70) hold for $\tilde{u}$. ###### Proof. By Corollary 4.3 and the assumption that $f=0$ in $B_{2R}$, $\displaystyle[u]_{C^{\alpha}(B_{R/2})}\leq N\frac{1}{j(R)R^{d+\alpha}}\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})}.$ (5.71) Set $B_{(0)}=B_{R},\quad B_{(k)}=B_{2^{k}R}\setminus B_{2^{k-1}R},\quad k\geq 1.$ Observe that $\displaystyle\|u\|_{L_{1}(\mathbb{R}^{d},w_{R})}$ $\displaystyle=$ $\displaystyle\int_{\mathbb{R}^{d}}|u(y)|\frac{1}{1/j(R)+1/j(|y|/2)}~{}dy$ $\displaystyle=$ $\displaystyle\sum_{k=0}^{\infty}\int_{B_{(k)}}|u(y)|\frac{1}{1/j(R)+1/j(|y|/2)}dy$ $\displaystyle\leq$ $\displaystyle 2j(R)\int_{B_{2R}}|u(y)|~{}dy+N\sum_{k=2}^{\infty}j(2^{k-2}R)\int_{B_{2^{k}R}}|u(y)|~{}dy$ $\displaystyle\leq$ $\displaystyle N\left(j(R)R^{d}(|u|)_{B_{2R}}+\sum_{k=2}^{\infty}2^{-(k-2)(d+\alpha_{0})}j(R)\int_{B_{2^{k}R}}|u(y)|~{}dy\right)$ $\displaystyle\leq$ $\displaystyle N\left(j(R)R^{d}(|u|)_{B_{2R}}+\sum_{k=2}^{\infty}2^{-(k-2)(d+\alpha_{0})}2^{kd}j(R)R^{d}(|u|)_{B_{2^{k}R}}\right)$ $\displaystyle\leq$ $\displaystyle Nj(R)R^{d}\left(\sum_{k=1}^{\infty}2^{-\alpha_{0}k}(|u|)_{B_{2^{k}R}}\right),$ where the first and second inequalities come from H1. Therefore we get (5.69). To prove (5.70), we apply the operator $\mathcal{A}$ to both sides of $Lu-\lambda u=f$ and obtain $(L-\lambda)(\mathcal{A}u)=\mathcal{A}f.$ By applying Corollary 4.3 again, $\displaystyle[\mathcal{A}u]_{C^{\alpha}(B_{R/2})}\leq N\frac{1}{j(R)R^{d+\alpha}}\left(\|\mathcal{A}u\|_{L_{1}(\mathbb{R}^{d},w_{R})}+\sup_{B_{R}}|\mathcal{A}f|\right).$ (5.72) The first term on the right hand side of (5.72) is bounded by $NR^{-\alpha}\left(\sum_{k=0}^{\infty}2^{-\alpha_{0}k}(|\mathcal{A}u|)_{B_{2^{k}R}}\right).$ In order to estimate the second term, we recall the definition of $\mathcal{A}$. For $|x|<R$, $\displaystyle|\mathcal{A}f(x)|$ $\displaystyle=$ $\displaystyle\left|\int_{\mathbb{R}^{d}}[f(x+y)-f(x)]J(y)~{}dt\right|$ $\displaystyle\leq$ $\displaystyle\sum_{k=1}^{\infty}\int_{B_{(k)}}|f(x+y)|j(|y|)~{}dy$ $\displaystyle\leq$ $\displaystyle N\sum_{k=1}^{\infty}j(2^{k-1}R)\int_{B_{(k)}}|f(x+y)|~{}dy$ $\displaystyle\leq$ $\displaystyle N\sum_{k=1}^{\infty}2^{-(k-1)(d+\alpha_{0})}j(R)\int_{B_{2^{k}R}}|f(x+y)|~{}dy$ $\displaystyle\leq$ $\displaystyle N\sum_{k=1}^{\infty}2^{-(k-1)(d+\alpha_{0})}j(R)\int_{B_{2^{k+1}R}}|f(y)|~{}dy$ $\displaystyle\leq$ $\displaystyle Nj(R)R^{d}\left(\sum_{k=1}^{\infty}2^{-\alpha_{0}k}(|f|)_{B_{2^{k+1}R}}\right)\leq Nj(R)R^{d}\mathcal{M}f(0),$ where the first inequality is due to the assumption $f(x)=0$ if $|x|<2R$ and both the second and the third inequality are owing to H1. Therefore (i) is proved. Also, (ii) is proved similarly with Corollary 4.3 (ii). $\Box$ The above lemma easily yields the following mean oscillation estimate. ###### Corollary 5.2. Suppose that H1 and H2 hold. Let $\lambda\geq 0$ an $r,\kappa>0$. Asume $f\in C_{0}^{\infty}$, $f=0$ in $B_{2kr}$, and $u,\tilde{u}\in H_{2}^{\mathcal{A}}\cap C_{b}^{\infty}$ satisfy $\displaystyle Lu-\lambda u=f,\quad\quad\tilde{L}\tilde{u}-\lambda\tilde{u}=f.$ (i) Then for all $\alpha\in(0,\min\\{1,\alpha_{0}\\})$, $\displaystyle(|u-(u)_{B_{r}}|)_{B_{r}}\leq N\kappa^{-\alpha}\sum_{k=1}^{\infty}2^{-\alpha_{0}k}|u|_{B_{2^{k}\kappa r}},$ (5.73) $\displaystyle(|\mathcal{A}u-\mathcal{A}u)_{B_{r}}|)_{B_{r}}\leq N\kappa^{-\alpha}\left(\sum_{k=1}^{\infty}2^{-\alpha_{0}k}|\mathcal{A}u|_{B_{2^{k}\kappa r}}+\mathcal{M}f(0)\right),$ (5.74) where $N$ depends only on $d,\nu,\Lambda,\kappa_{1},\kappa_{2},\alpha_{0}$, and $\alpha$. (ii) If one of H3 (ii)-(iv) is additionally assumed, then (5.73) and (5.74) hold for $\tilde{u}$. ###### Proof. It is enough to use the following inequality $\displaystyle(|u-(u)_{B_{r}}|)_{B_{r}}\leq 2^{\alpha}r^{\alpha}[u]_{C^{\alpha}(r)}\leq 2^{\alpha}r^{\alpha}[u]_{C^{\alpha}(\kappa r/2)}$ and apply Lemma 5.1 with $R=\kappa r$. $\Box$ Next we show that the mean oscillation of $u$ is controlled by the maximal functions of $u$ and $Lu-\lambda u$. ###### Lemma 5.3. Suppose that H1 and H2 hold. Let $\lambda>0$, $\kappa\geq 2$, $r>0$, and $f\in C_{0}^{\infty}$. Assume $u,\tilde{u}\in H_{2}^{\mathcal{A}}\cap C_{b}^{\infty}$ satisfy $Lu-\lambda u=f,\quad\quad\tilde{L}u-\lambda u=f.$ (5.75) (i) Then for all $\alpha\in(0,\min\\{1,\alpha_{0}\\})$, $\displaystyle\lambda(|u-(u)_{B_{r}}|)_{B_{r}}+(|\mathcal{A}u-(\mathcal{A}u)_{B_{r}}|)_{B_{r}}$ $\displaystyle\leq N\kappa^{-\alpha}\left(\lambda\mathcal{M}u(0)+\mathcal{M}(\mathcal{A}u)(0)\right)+N\kappa^{d/2}(\mathcal{M}(f^{2})(0))^{1/2},$ (5.76) where $N$ depends only on $d,\nu,\Lambda$, and $J$. (ii) If one of H3 (ii)-(iv) is additionally assumed, then (5.76) holds for $\tilde{u}$. ###### Proof. Due to the similarity of the proof, we only prove the assertion (i). Take a cut-off function $\eta\in C_{0}^{\infty}(B_{4\kappa r})$ satisfying $\eta=1$ in $B_{2\kappa r}$. By Theorem 2.8, there exists a unique solution $u$ in $H_{2}^{\mathcal{A}}$ satisfying $\displaystyle Lw-\lambda w=\eta f$ (5.77) and $\displaystyle\lambda\|w\|_{L_{2}}+\|\mathcal{A}w\|_{L_{2}}\leq N\|\eta f\|_{L_{2}}.$ (5.78) From (5.78), Jensen’s inequality, and the fact $\eta f$ has its support within $B_{4\kappa r}$, for any $R>0$, $\displaystyle\lambda(|w|)_{B_{R}}+(|\mathcal{A}w|)_{B_{R}}$ $\displaystyle\leq$ $\displaystyle NR^{-d/2}\left(\lambda\|w\|_{L_{2}}+\|\mathcal{A}w\|_{L_{2}}\right)$ (5.79) $\displaystyle\leq$ $\displaystyle NR^{-d/2}\|\eta f\|_{L_{2}}$ $\displaystyle\leq$ $\displaystyle NR^{-d/2}(\kappa r)^{d/2}(\mathcal{M}(f^{2})(0))^{1/2}.$ Furthermore, taking $(1-\Delta)^{\gamma}$ to both sides of (5.77) and using the fact $(1-\Delta)^{\gamma}Lw=L(1-\Delta)^{\gamma}w$, we can easily check that $w\in C_{b}^{\infty}$ by Sobolev’s inequality. By setting $v:=u-w$, from (5.77) and (5.75) $Lv-\lambda v=(1-\eta)f,\quad v\in C_{b}^{\infty}\cap H_{2}^{\mathcal{A}}.$ By applying Corollary 5.2 to $v$, $\displaystyle(\lambda|v-(v)_{B_{r}}|)_{B_{r}}+(|\mathcal{A}v-(\mathcal{A}v)_{B_{r}}|)_{B_{r}}$ (5.80) $\displaystyle\leq$ $\displaystyle N\kappa^{-\alpha}\left(\sum_{k=1}^{\infty}2^{-\alpha_{0}k}[\lambda(|v|)_{B_{2^{k}\kappa r}}+(|\mathcal{A}v|)_{B_{2^{k}\kappa r}}]+\mathcal{M}f(0)\right)$ $\displaystyle\leq$ $\displaystyle N\kappa^{-\alpha}\left(\sum_{k=1}^{\infty}2^{-\alpha_{0}k}[\lambda(|u|)_{B_{2^{k}\kappa r}}+(|\mathcal{A}u|)_{B_{2^{k}\kappa r}}]\right)$ $\displaystyle+N\kappa^{-\alpha}\left(\sum_{k=0}^{\infty}2^{-\alpha_{0}k}[\lambda(|w|)_{B_{2^{k}\kappa r}}+(|\mathcal{A}w|)_{B_{2^{k}\kappa r}}]+\mathcal{M}f(0)\right)$ $\displaystyle\leq$ $\displaystyle N\kappa^{-\alpha}\left(\sum_{k=1}^{\infty}2^{-\alpha_{0}k}[\lambda(|u|)_{B_{2^{k}\kappa r}}+(|\mathcal{A}u|)_{B_{2^{k}\kappa r}}]\right)$ $\displaystyle+N\kappa^{-\alpha}\left(\sum_{k=1}^{\infty}2^{-\alpha_{0}k}[2^{-dk/2}(\mathcal{M}(f^{2})(0))^{1/2}]+\mathcal{M}f(0)\right)$ $\displaystyle\leq$ $\displaystyle N\kappa^{-\alpha}\left(\lambda\mathcal{M}u(0)+\mathcal{M}(\mathcal{A}u)(0)+(\mathcal{M}(f^{2})(0))^{1/2}\right),$ where (5.79) is used for the third inequality with $R=2^{k}\kappa r$, and for the last inequality we use $\mathcal{M}f(0)\leq(\mathcal{M}(f^{2})(0))^{1/2}$. By combining (5.79) and (5.80), $\displaystyle\lambda(|u-(u)_{B_{r}}|)_{B_{r}}+(|\mathcal{A}u-(\mathcal{A}u)_{B_{r}}|)_{B_{r}}$ $\displaystyle\leq$ $\displaystyle N\left(\lambda(|v-(v)_{B_{r}}|)_{B_{r}}+(|\mathcal{A}v-(\mathcal{A}v)_{B_{r}}|)_{B_{r}}+\lambda(|w|)_{B_{r}}+(|\mathcal{A}w|)_{B_{r}}\right)$ $\displaystyle\leq$ $\displaystyle N\kappa^{-\alpha}\left(\lambda\mathcal{M}u(0)\right)+N\mathcal{M}(\mathcal{A}u)(0)+N(\mathcal{M}(f^{2})(0))^{1/2}.$ Therefore, the lemma is proved. $\Box$ We make full use of Lemma 5.1 to get the mean oscillation of $Lu$. ###### Lemma 5.4. Suppose that H1 and H2 hold. Let $\lambda>0$, $\kappa\geq 2$, $r>0$, and $f\in C_{0}^{\infty}$. Assume $u\in H_{2}^{\mathcal{A}}\cap C_{b}^{\infty}$ satisfy $\displaystyle\mathcal{A}u-\lambda u=f.$ Then for all $\alpha\in(0,\min\\{1,\alpha_{0}\\})$, $\displaystyle\lambda(|u-(u)_{B_{r}}|)_{B_{r}}+(|Lu-(Lu)_{B_{r}}|)_{B_{r}}$ $\displaystyle\leq N\kappa^{-\alpha}\left(\lambda\mathcal{M}u(0)+\mathcal{M}(Lu)(0)\right)+N\kappa^{d/2}(\mathcal{M}(f^{2})(0))^{1/2},$ where $N$ depends only on $d,\nu,\Lambda$, and $J$. ###### Proof. Exchanging the roles of $\mathcal{A}$ and $L$ in the proof of Lemma 5.1, we easily get $\displaystyle[Lu]_{C^{\alpha}(B_{R/2})}\leq NR^{-\alpha}\left(\sum_{k=0}^{\infty}2^{-\alpha_{0}k}(Lu)_{B_{2^{k}R}}+\mathcal{M}f(0)\right).$ Therefore, the lemma is proved as we follow the proof of Lemma 5.3. $\Box$ ## 6\. Proof of Theorems 2.16 and 2.21 Proof of Theorem 2.16 The case $p=2$ was already proved in Theorem 2.8. Due to Corollary 2.7 and Lemmas 2.6, it is sufficient to prove $\|\mathcal{A}u\|_{L_{p}}+\lambda\|u\|_{L_{p}}\leq N\|Lu-\lambda u\|_{L_{p}},\quad\forall\,u\in C_{0}^{\infty},$ (6.81) where $N=N(d,\nu,\Lambda,\kappa_{1},\kappa_{2},\alpha_{0})$. First, assume $p>2$. Put $f:=Lu-\lambda u$. From Lemma 5.3, for all $\alpha\in(0,\min\\{1,\alpha_{0}\\})$ $\displaystyle\lambda(|u-(u)_{B_{r}}|)_{B_{r}}+(|\mathcal{A}u-(\mathcal{A}u)_{B_{r}}|)_{B_{r}}$ $\displaystyle\leq N\kappa^{-\alpha}\left(\lambda\mathcal{M}u(0)+\mathcal{M}(\mathcal{A}u)(0)\right)+N\kappa^{d/2}(\mathcal{M}(f^{2})(0))^{1/2}.$ By translation, it is easy to check that the above inequality holds for all $B_{r}(x)$ with $x\in\mathbb{R}^{d}$ and $r>0$. By the arbitrariness of $r$, $\displaystyle\lambda u^{\\#}(x)+(\mathcal{A}u)^{\\#}(x)$ $\displaystyle\leq N\kappa^{-\alpha}\left(\lambda\mathcal{M}u(x)+\mathcal{M}(\mathcal{A}u)(x)\right)+N\kappa^{d/2}(\mathcal{M}(f^{2})(x))^{1/2}.$ Therefore, by the Fefferman-Stein theorem and Hardy-Littlewood maximal theorem (see, for instance, chapter 1 of [15]), we get $\displaystyle\lambda\|u\|_{L_{p}}+\|\mathcal{A}u\|_{L_{p}}\leq N\kappa^{-\alpha}\left(\lambda\|u\|_{L_{p}}+\|\mathcal{A}u\|_{L_{p}}\right)+N\kappa^{d/2}\|f\|_{L_{p}}.$ By choosing $\kappa>2$ large enough so that $N\kappa^{-\alpha}<1/2$, $\displaystyle\lambda\|u\|_{L_{p}}+\|\mathcal{A}u\|_{L_{p}}\leq N\|f\|_{L_{p}}.$ We use the duality argument for $p\in(1,2)$. Put $q:=p/(p-1)$. Then since $q\in(2,\infty)$, for any $g\in C_{0}^{\infty}$ there is a unique $v_{g}\in H_{q}^{\mathcal{A}}$ satisfying $L^{\ast}v_{g}-\lambda v_{g}=g\quad\text{in}~{}\mathbb{R}^{d}.$ Therefore, by applying (6.81) with $q\in(2,\infty)$, for any $u\in C_{0}^{\infty}$, $\displaystyle\|\mathcal{A}u\|_{L_{p}}$ $\displaystyle\leq$ $\displaystyle\sup_{\|g\|_{L_{q}}=1,~{}g\in C_{0}^{\infty}}\int_{\mathbb{R}^{d}}|g\mathcal{A}u|~{}dx$ $\displaystyle=$ $\displaystyle\sup_{\|g\|_{L_{q}}=1,~{}g\in C_{0}^{\infty}}\int_{\mathbb{R}^{d}}|(L^{\ast}v_{g}-\lambda v_{g})\mathcal{A}u|~{}dx$ $\displaystyle=$ $\displaystyle\sup_{\|g\|_{L_{q}}=1,~{}g\in C_{0}^{\infty}}\int_{\mathbb{R}^{d}}|\mathcal{A}v_{g}(Lu-\lambda u)|~{}dx$ $\displaystyle\leq$ $\displaystyle\sup_{\|g\|_{L_{q}}=1,~{}g\in C_{0}^{\infty}}\|\mathcal{A}v_{g}\|_{L_{q}}\|Lu-\lambda u\|_{L_{p}}$ $\displaystyle\leq$ $\displaystyle\sup_{\|g\|_{L_{q}}=1,~{}g\in C_{0}^{\infty}}N\|g\|_{L_{q}}\|Lu-\lambda u\|_{L_{p}}=N\|Lu-\lambda u\|_{L_{p}}.$ Similarly, $\lambda\|u\|_{L_{p}}\leq N\|Lu-\lambda u\|_{L_{p}}.$ Finally, we prove the continuity of the operator $L$ by showing $\displaystyle\|Lu\|_{L_{p}}\leq N\|\mathcal{A}u\|_{p},\quad\forall\,\,u\in C_{0}^{\infty}.$ (6.82) Recall that we proved (6.81) based on Lemma 5.3. Similarly, using Lemma 5.4, one can prove $\displaystyle\|Lu\|_{L_{p}}\leq N\|\mathcal{A}u-\lambda u\|_{L_{p}}\quad\forall u\in C_{0}^{\infty},\quad\forall\lambda>0.$ Since $N$ is independent of $\lambda$, this leads to (6.82). The theorem is proved. Proof of Theorem 2.21 The proof is identical to that of Theorem 2.16 if one of H3(ii)-(iv) holds. So it only remains to prove $\|\mathcal{A}u\|_{L_{p}}+\lambda\|u\|_{L_{p}}\leq N\|\tilde{L}u-\lambda u\|_{L_{p}},\quad\forall\,u\in C_{0}^{\infty}$ under the condition H3(i). Define $b^{i}=-\int_{B_{1}}y^{i}a(y)J(y)dy\quad\text{if}\,\,\sigma\in(0,1),\quad\quad b^{i}=\int_{\mathbb{R}^{d}\setminus B_{1}}y^{i}a(y)J(y)dy\quad\text{if}\,\,\sigma\in(1,2).$ Then under H1 and H2, $|b|<\infty$ and for for any $u\in C_{0}^{\infty}$, we have $\tilde{L}u=Lu+b\cdot\nabla u,$ and therefore $\displaystyle\|u\|_{L_{p}}+\|\mathcal{A}u\|_{L_{p}}\leq N\|Lu-\lambda u\|_{L_{p}}\leq N\big{(}\|\tilde{L}u-\lambda u\|_{L_{p}}+\|\nabla u\|_{L_{p}}\big{)}.$ Take $\varepsilon=1/(2N)$ in H3(i) and apply Lemma 2.1. Then, the theorem is proved. $\Box$ ## References * [1] D. Applebaum, Lévy processes and stochastic calculus, Cambridge University Press, 2009. * [2] R. Bañuelos and K. Bogdan, Lévy processes and Fourier multipliers, J. Funct. Anal. 250 (2007), no. 1, 197–213. * [3] G. Barles, E. Chasseigne, and C. Imbert, Hölder continuity of solutions of second-order non-linear elliptic integro-differential equations.(English summary) J. Eur. Math. Soc. 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arxiv-papers
2014-02-21T03:36:24
2024-09-04T02:49:58.516102
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Ildoo Kim and Kyeong-Hun Kim", "submitter": "Kyeong-Hun Kim", "url": "https://arxiv.org/abs/1402.5197" }
1402.5280
# Direct CP asymmetries of three-body $B$ decays in perturbative QCD Wen-Fei Wang1 [email protected] Hao-Chung Hu2,3 [email protected] Hsiang-nan Li3,4,5 [email protected] Cai-Dian Lü1 [email protected] 1Institute of High Energy Physics and Theoretical Physics Center for Science Facilities, Chinese Academy of Sciences, Beijing 100049, People’s Republic of China, 2Department of Physics, National Taiwan University, Taipei, Taiwan 106, Republic of China, 3Institute of Physics, Academia Sinica, Taipei, Taiwan 115, Republic of China, 4Department of Physics, National Tsing-Hua University, Hsinchu, Taiwan 300, Republic of China, 5Department of Physics, National Cheng-Kung University, Tainan, Taiwan 701, Republic of China ###### Abstract We propose a theoretical framework for analyzing three-body hadronic $B$ meson decays based on the perturbative QCD approach. The crucial nonperturbative input is a two-hadron distribution amplitude for final states, whose time-like form factor and rescattering phase are fit to relevant experimental data. Together with the short-distance strong phase from the $b$-quark decay kernel, we are able to make predictions for direct CP asymmetries in, for example, the $B^{\pm}\to\pi^{+}\pi^{-}\pi^{\pm}$ and $\pi^{+}\pi^{-}K^{\pm}$ modes, which are consistent with the LHCb data in various localized regions of phase space. Applications of our formalism to other three-body hadronic and radiative $B$ meson decays are mentioned. ###### pacs: 13.20.He, 13.25.Hw, 13.30.Eg Three-body hadronic $B$ meson decays have been studied for many years CL02 ; CY02 ; FPP04 ; BIL13 . They attracted much attention recently, after the LHCb Collaboration measured sizable direct CP asymmetries in localized regions of phase space LHCb1 ; LHCb2 ; LHCb3 , such as $\displaystyle A_{CP}^{\rm reg}(\pi^{+}\pi^{-}\pi^{+})=0.584\pm 0.082\pm 0.027\pm 0.007,$ (1) for $m^{2}_{\pi^{+}\pi^{-}\rm high}>15$ GeV2 and $m^{2}_{\pi^{+}\pi^{-}\rm low}<0.4$ GeV2, and $\displaystyle A_{CP}^{\rm reg}(\pi^{+}\pi^{-}K^{+})=0.678\pm 0.078\pm 0.032\pm 0.007,$ (2) for $m^{2}_{K^{+}\pi^{-}\rm high}<15$ GeV2 and $0.08<m^{2}_{\pi^{+}\pi^{-}\rm low}<0.66$ GeV2. Theoretical attempts to understand these data were made: The above CP asymmetries were attributed to the interference between a light scalar and intermediate resonances in ZGY13 ; the relations among the above CP asymmetries in the U-spin symmetry limit were examined in BGR13 ; SU(3) and U-spin symmetry breaking effects were included in the amplitude parametrization in XLH13 ; in CT13 the non-resonant contributions were parameterized in the framework of heavy meson chiral perturbation theory LLW92 ; and the resonant contributions were estimated by means of the usual Breit- Wigner formalism. Viewing the experimental progress, it is important to construct a corresponding framework based on the factorization theorem, in which perturbative evaluation can be performed systematically with controllable nonperturbative inputs. Motivated by its theoretical self-consistency and phenomenological success, we shall generalize the perturbative QCD (PQCD) approach KLS ; Lu:pqcd to three-body hadronic $B$ meson decays. A direct evaluation of hard $b$-quark decay kernels, which contain two virtual gluons at leading order (LO), is not practical because of the enormous number of diagrams. Besides, the contribution from two hard gluons is power-suppressed and is not important. In this region all three final-state mesons carry momenta of $O(m_{B})$, and all three pairs of them have invariant masses of $O(m_{B}^{2})$, $m_{B}$ being the $B$ meson mass. The dominant contribution comes from the region, where at least one pair of light mesons has an invariant mass below $O(\bar{\Lambda}m_{B})$ CL02 , $\bar{\Lambda}=m_{B}-m_{b}$ being the $B$ meson and $b$ quark mass difference. The configuration involves two energetic mesons almost collimating to each other, in which the dynamics associated with the pair of mesons can be factorized into a two-meson distribution amplitude $\phi_{h_{1}h_{2}}$ MP . It is evident that $\phi_{h_{1}h_{2}}$ appropriately describes the nonperturbative dynamics of a two-meson system in the localized region of phase space, say, $m^{2}_{\pi^{+}\pi^{-}\rm low}<0.4$ GeV2. With the introduction of a two-meson distribution amplitude, the LO diagrams for three-body hadronic $B$ meson decays reduce to those for two-body decays, as displayed in Figs. 4-4. The PQCD factorization formula for a $B\to h_{1}h_{2}h_{3}$ decay amplitude is then written as CL02 $\displaystyle\mathcal{A}=\phi_{B}\otimes H\otimes\phi_{h_{1}h_{2}}\otimes\phi_{h_{3}},$ (3) where the hard kernel $H$ contains only a single hard gluon. The $B$ meson ($h_{1}$-$h_{2}$ pair, $h_{3}$ meson) distribution amplitude $\phi_{B}$ ($\phi_{h_{1}h_{2}}$, $\phi_{h_{3}}$) absorbs nonperturbative dynamics characterized by the soft scale $\bar{\Lambda}$ (the invariant mass of the meson pair, the $h_{3}$ meson mass). Figure 4 involves the transition of the $B$ meson into two light mesons. The amplitude from Fig. 4 is expressed as a product of a heavy-to-light form factor and a time-like light-light form factor in the heavy-quark limit. In Figs. 4 and 4, a $B$ meson annihilates completely, and three light mesons are produced. Figure 1: Single-pion emission diagrams for the $B^{+}\to\pi^{+}\pi^{-}\pi^{+}$ decay, where $Ms$ stands for the pion pair. Figure 2: Two-pion emission diagrams, where $q$ denotes a $u$ or $d$ quark. Figure 3: Annihilation diagrams. Figure 4: More annihilation diagrams. Take Fig. 1(a) for the $B^{+}\to\pi^{+}\pi^{-}\pi^{+}$ decay as an example, in which the $B^{+}$ meson momentum $p_{B}$, the total momentum $p=p_{1}+p_{2}$ of the pion pair, and the momentum $p_{3}$ of the second $\pi^{+}$ meson are chosen, in light-cone coordinates, as $\displaystyle p_{B}=\frac{m_{B}}{\sqrt{2}}(1,1,0_{\rm T}),~{}\quad p=\frac{m_{B}}{\sqrt{2}}(1,\eta,0_{\rm T}),~{}\quad p_{3}=\frac{m_{B}}{\sqrt{2}}(0,1-\eta,0_{\rm T}),$ (4) with the variable $\eta=\omega^{2}/m^{2}_{B}$, $\omega^{2}=p^{2}$ being the invariant mass squared. The momenta $p_{1}$ and $p_{2}$ of the $\pi^{+}$ and $\pi^{-}$ mesons in the pair, respectively, have the components $\displaystyle p^{+}_{1}=\zeta\frac{m_{B}}{\sqrt{2}},\quad p^{-}_{1}=(1-\zeta)\eta\frac{m_{B}}{\sqrt{2}},\quad p^{+}_{2}=(1-\zeta)\frac{m_{B}}{\sqrt{2}},\quad p^{-}_{2}=\zeta\eta\frac{m_{B}}{\sqrt{2}},$ (5) with the $\pi^{+}$ meson momentum fraction $\zeta$. The momenta of the spectators in the $B$ meson, the pion pair, and the $\pi^{+}$ meson read, respectively, as $\displaystyle k_{B}=\left(0,\frac{m_{B}}{\sqrt{2}}x_{B},k_{B{\rm T}}\right),\quad k=\left(\frac{m_{B}}{\sqrt{2}}z,0,k_{\rm T}\right),\quad k_{3}=\left(0,\frac{m_{B}}{\sqrt{2}}(1-\eta)x_{3},k_{3{\rm T}}\right).$ (6) The definitions of the two-pion distribution amplitudes in terms of hadronic matrix elements of nonlocal quark operators up to twist 3 can be found in CL02 ; MP ; DGP00 . We parameterize them at the leading partial waves as $\displaystyle\phi^{v,t}_{\pi\pi}(z,\zeta,\omega^{2})=\frac{3F_{\pi,t}(\omega^{2})}{\sqrt{2N_{c}}}z(1-z)(2\zeta-1),$ (7) $\displaystyle\phi^{s}_{\pi\pi}(z,\zeta,\omega^{2})=\frac{3F_{s}(\omega^{2})}{\sqrt{2N_{c}}}z(1-z),$ (8) with the number of colors $N_{c}$, where the factor $2\zeta-1$ arises from the Legendre polynomial $P_{l}(2\zeta-1)$ for $l=1$. The PQCD power counting indicates the scaling of the vector-current form factor in the asymptotic region, $F_{\pi}(w^{2})\sim 1/w^{2}$, and the relative importance of the scalar-current and tensor-current form factors, $F_{s,t}(w^{2})/F_{\pi}(w^{2})\sim m_{0}^{\pi}/w$, where $m_{0}^{\pi}=m_{\pi}^{2}/(m_{u}+m_{d})$ is the chiral scale associated with the pion, $m_{\pi}$, $m_{u}$, and $m_{d}$ being the masses of the pion, the $u$ quark, and the $d$ quark, respectively. To evaluate the nonresonant contribution in the arbitrary range of $w^{2}$, we propose the parametrization for the complex time-like form factors $\displaystyle F_{\pi}(w^{2})=\frac{m^{2}\exp[i\delta^{1}_{1}(w)]}{w^{2}+m^{2}},\;\;\;\;F_{t}(w^{2})=\frac{m_{0}^{\pi}m^{2}\exp[i\delta^{1}_{1}(w)]}{w^{3}+m_{0}^{\pi}m^{2}},\;\;\;\;F_{s}(w^{2})=\frac{m_{0}^{\pi}m^{2}\exp[i\delta^{0}_{0}(w)]}{w^{3}+m_{0}^{\pi}m^{2}},$ (9) in which the parameter $m=1$ GeV is determined by the fit to the experimental data $m_{J/\psi}^{2}|F_{\pi}(m_{J/\psi}^{2})|^{2}\sim 0.9$ GeV2 PDG , $m_{J/\psi}$ being the $J/\psi$ meson mass. The resultant $w^{2}$ dependence of $F_{\pi}(w^{2})$ also agrees with the low-energy data of the time-like pion electromagnetic form factor for $w<1$ GeV Whalley2003aaa , and with the next- to-leading-order (NLO) PQCD calculation HL13 . The strong phases $\delta^{I}_{l}$ are chosen as the phase shifts for the $S$ wave ($I=0$, $l=0$) and $P$ wave ($I=1$, $l=1$) of elastic $\pi\pi$ scattering DGP00 according to Watson’s theorem. We simply parameterize the data of these strong phases Proto1973 ; EM74 ; KS90 for $2m_{\pi}<w<0.7$ GeV as $\displaystyle\delta^{0}_{0}(w)=\pi(w-2m_{\pi}),\;\;\;\;\delta^{1}_{1}(w)=1.4\pi(w-2m_{\pi})^{2},$ (10) in which $2m_{\pi}$ represents the $\pi\pi$ threshold. The increase of $\delta_{1}^{1}$ with $w$ in the above expression is consistent with the NLO PQCD result of the time-like pion electromagnetic form factor HL13 . The $B$ meson, pion, and kaon distribution amplitudes are the same as those widely adopted in the PQCD approach to two-body hadronic $B$ meson decays. We have the $B$ meson distribution amplitude $\displaystyle\phi_{B}(x,b)$ $\displaystyle=$ $\displaystyle N_{B}x^{2}(1-x)^{2}\exp\left[-\frac{1}{2}\left(\frac{xm_{B}}{\omega_{B}}\right)^{2}-\frac{\omega_{B}^{2}b^{2}}{2}\right],$ (11) with the shape parameter $\omega_{B}=0.45\pm 0.05$ GeV, and the normalization constant $N_{B}=73.67$ GeV being related to the $B$ meson decay constant $f_{B}=0.21$ GeV via $\lim_{b\to 0}\int dx\phi_{B}(x,b)=f_{B}/(2\sqrt{2N_{c}})$. The pion and kaon distribution amplitudes up to twist 3, $\phi_{i}^{A}(x)$ and $\phi_{i}^{P,T}(x)$ for $i=\pi,K$, are chosen as refs-pball $\displaystyle\phi_{i}^{A}(x)$ $\displaystyle=$ $\displaystyle\frac{3f_{i}}{\sqrt{6}}\,x(1-x)\left[1+a_{1}C_{1}^{3/2}(t)+a_{2}C_{2}^{3/2}(t)+a_{4}C_{4}^{3/2}(t)\right],$ (12) $\displaystyle\phi^{P}_{i}(x)$ $\displaystyle=$ $\displaystyle\frac{f_{i}}{2\sqrt{6}}\,\left[1+\left(30\eta_{3}-\frac{5}{2}\rho_{i}^{2}\right)C_{2}^{1/2}(t)-\,3\left\\{\eta_{3}\omega_{3}+\frac{9}{20}\rho_{i}^{2}(1+6a_{2})\right\\}C_{4}^{1/2}(t)\right],$ (13) $\displaystyle\phi^{\sigma}_{i}(x)$ $\displaystyle=$ $\displaystyle\frac{f_{i}}{2\sqrt{6}}\,x(1-x)\left[1+\left(5\eta_{3}-\frac{1}{2}\eta_{3}\omega_{3}-\frac{7}{20}\rho_{i}^{2}-\frac{3}{5}\rho_{i}^{2}a_{2}\right)C_{2}^{3/2}(t)\right],$ (14) with the pion (kaon) decay constant $f_{\pi}=0.13$ ($f_{K}=0.16$) GeV, the variable $t=2x-1$, the Gegenbauer polynomials $\displaystyle C_{1}^{3/2}(t)\,$ $\displaystyle=$ $\displaystyle 3\,t\;,\quad C_{2}^{1/2}(t)=\frac{1}{2}\left(3\,t^{2}-1\right),\quad C_{2}^{3/2}(t)\,=\,\frac{3}{2}\left(5\,t^{2}-1\right),$ $\displaystyle C_{4}^{1/2}(t)\,$ $\displaystyle=$ $\displaystyle\,\frac{1}{8}\left(3-30\,t^{2}+35\,t^{4}\right),\quad C_{4}^{3/2}(t)\,=\,\frac{15}{8}\left(1-14\,t^{2}+21\,t^{4}\right),$ (15) and the mass ratio $\rho_{\pi(K)}=m_{\pi(K)}/m_{0}^{\pi(K)}$, where $m_{0}^{K}=m_{K}^{2}/(m_{s}+m_{d})$ is the chiral scale associated with the kaon, $m_{K}$ and $m_{s}$ being the masses of the kaon and the $s$ quark, respectively. The Gegenbauer moments $a^{\pi,K}$ are set to refs-pball $\displaystyle a_{1}^{\pi}$ $\displaystyle=$ $\displaystyle 0,\quad a_{1}^{K}=0.06\pm 0.03,\quad a_{2}^{\pi,K}=0.25\pm 0.15,$ $\displaystyle a_{4}^{\pi}$ $\displaystyle=$ $\displaystyle-0.015,\quad\eta_{3}^{\pi,K}=0.015,\quad\omega_{3}^{\pi,K}=-3.$ (16) The above set of meson distribution amplitudes corresponds to the $B\to\pi$ transition form factors at maximal recoil $F_{+}^{B\pi}(0)=F_{0}^{B\pi}(0)=0.23$ in LO PQCD, which are consistent with the results derived from other approaches refs-pball ; bpi . The $B^{+}\to\pi^{+}\pi^{-}\pi^{+}$ decay width in the localized region of $m^{2}_{\pi^{+}\pi^{-}\min}<m^{2}_{\min}=0.4$ GeV2 and $m^{2}_{\pi^{+}\pi^{-}\max}>m^{2}_{\max}=15$ GeV2 is written as $\displaystyle\Gamma=\frac{G_{F}^{2}m_{B}}{512\pi^{4}}\int_{\eta_{\min}}^{\eta_{\max}}d\eta(1-\eta)\int_{0}^{\zeta_{\max}}d\zeta|\mathcal{A}|^{2},$ (17) with the Fermi constant $G_{F}=1.16639^{-5}$ GeV-2 and the bounds $\displaystyle\eta_{\max}=\frac{m^{2}_{\min}}{m_{B}^{2}},\;\;\;\;\eta_{\min}=\frac{4m^{2}_{\pi}}{m_{B}^{2}},\;\;\;\;\zeta_{\max}=1-\frac{m^{2}_{\max}}{(1-\eta)m_{B}^{2}},$ (18) where the upper bound $\zeta_{\max}$ is derived from the invariant mass squared $(p_{2}+p_{3})^{2}$. The contributions from all the diagrams in Figs. 4-4 to the decay amplitude $\mathcal{A}$ are collected in the Appendix. The corresponding formulas for the $B^{+}\to\pi^{+}\pi^{-}K^{+}$ decay can be obtained straightforwardly. Employing the input parameters $\Lambda^{(f=4)}_{\overline{MS}}=0.25$ GeV, $m_{\pi^{\pm}}=0.1396$ GeV, $m_{K^{\pm}}=0.4937$ GeV, $m_{B^{\pm}}=5.279$ GeV PDG ; prd76-074018 , and the Wolfenstein parameters in PDG , we derive the direct CP asymmetries in the region of $m^{2}_{\pi^{+}\pi^{-}{\rm low}}<0.4$ GeV2 and $m^{2}_{\pi^{+}\pi^{-}\;{\rm or}\;K^{+}\pi^{-}{\rm high}}>15$ GeV2, $\displaystyle A_{CP}(B^{\pm}\to\pi^{+}\pi^{-}\pi^{\pm})$ $\displaystyle=$ $\displaystyle 0.519^{+0.124}_{-0.219}(\omega_{B})^{+0.108}_{-0.091}(a_{2}^{\pi})^{+0.027}_{-0.032}(m^{\pi}_{0}),$ (19) $\displaystyle A_{CP}(B^{\pm}\to\pi^{+}\pi^{-}K^{\pm})$ $\displaystyle=$ $\displaystyle-0.018^{+0.024}_{-0.044}(\omega_{B})^{+0.006}_{-0.009}(a_{2}^{\pi}\;\&\;a_{2}^{K})^{+0.002}_{-0.003}(m_{0}^{\pi}\;\&\;m_{0}^{K}).$ (20) The first and second errors come from the variation of $\omega_{B}=0.45\pm 0.05$ GeV and $a_{2}^{\pi,K}=0.25\pm 0.15$, respectively, and the third errors are induced by $m_{0}^{\pi}=1.4\pm 0.1$ GeV and $m_{0}^{K}=1.6\pm 0.1$ GeV. The uncertainties caused by the variation of the Wolfenstein parameters $\lambda,A,\rho,\eta$, and of the Gegenbauer moment $a^{K}_{1}=0.06\pm 0.03$ are very small, and have been neglected. While the decay widths are quadratically proportional to the decay constants $f_{B},f_{\pi}$ and/or $f_{K}$, the CP asymmetries are independent of them. Obviously, our prediction for $A_{CP}(B^{\pm}\to\pi^{+}\pi^{-}\pi^{\pm})$ agrees well with the LHCb data. Since the emission contribution and the imaginary annihilation contribution depend on the $B$ meson distribution amplitude in different ways, the variation of $\omega_{B}$ explores the relevance of the short-distance strong phase from the $b$-quark decay kernel. The sensitivity of the predicted CP asymmetries to $\omega_{B}$ then implies the importance of this strong phase. As the $P$-wave rescattering phase associated with the pion electromagnetic form factor decreases to half, the predicted CP asymmetries are also reduced by half. The change of the phases associated with the scalar and tensor form factors does not modify the CP asymmetries much. Therefore, we conclude that the short-distance and long- distance $P$-wave strong phases are equally crucial for the direct CP asymmetries in the localized region of phase space. The LHCb data in Eq. (2) are dominated by the resonant channel $B^{\pm}\to\rho^{0}K^{\pm}$. It is encouraging that the data confirm the NLO PQCD prediction $A_{CP}(B^{\pm}\to\rho^{0}K^{\pm})=0.71^{+0.25}_{-0.35}$ LM06 . We have checked that our prediction in Eq. (20) for the localized region of phase space is consistent with the LHCb data in Fig. 2 of LHCb1 . Moreover, we have predicted larger $A_{CP}(B^{\pm}\to\pi^{+}\pi^{-}\pi^{\pm})=0.631$ in the region of $m^{2}_{\pi^{+}\pi^{-}{\rm low}}<0.4$ GeV2 and $m^{2}_{\pi^{+}\pi^{-}{\rm high}}>20.5$ GeV2 for the central values of the input parameters, which also matches the data LHCb2 . In this paper we have proposed a promising formalism for three-body hadronic $B$ meson decays based on the PQCD approach. The calculation is greatly simplified with the introduction of the nonperturbative two-hadron distribution amplitude for final states. The time-like form factors and the rescattering phases involved in the two-pion distribution amplitudes have been fixed by experiments, and the $B$ meson, pion, and kaon distribution amplitudes are the same as in the previous PQCD analysis of two-body hadronic $B$ meson decays. Without any free parameters, our results for $A_{CP}(B^{\pm}\to\pi^{+}\pi^{-}\pi^{\pm})$ and $A_{CP}(B^{\pm}\to\pi^{+}\pi^{-}K^{\pm})$ accommodate well the recent LHCb data in various localized regions of phase space. It has been observed that the short-distance strong phase from the $b$-quark decay kernel and the final- state rescattering phase are equally important for explaining the measured direct CP asymmetries. The success indicates that our formalism has potential applications to other three-body hadronic and radiative $B$ meson decays CL04 , if phase shifts from meson-meson scattering can be derived in nonperturbative methods LZL ; Doring:2013wka . ###### Acknowledgements. We thank Wei Wang for helpful discussions. This work was partly supported by the National Science Council of R.O.C. under Grant No. NSC-101-2112-M-001-006-MY3, by the National Center for Theoretical Sciences of R.O.C., and by the National Science Foundation of China under Grants No. 11375208, No. 11228512 and No. 11235005. ## Appendix A Decay amplitudes In this appendix we present the PQCD factorization formulas for the diagrams in Figs. 4-4. The sum of the contributions from Figs. 4(a) and 4(b) gives $\displaystyle\mathcal{A}_{1(a,b)}$ $\displaystyle=$ $\displaystyle V^{*}_{ub}V_{ud}F^{LL}_{B\to\pi\pi}-V^{*}_{tb}V_{td}\left(F^{\prime LL}_{B\to\pi\pi}+F^{SP}_{B\to\pi\pi}\right),$ (21) where the amplitudes for the $B$ meson transition into two pions are written as $\displaystyle F^{LL}_{B\to\pi\pi}$ $\displaystyle=$ $\displaystyle 8\pi C_{F}m^{4}_{B}f_{\pi}\int dx_{B}dz\int b_{B}db_{B}bdb\phi_{B}(x_{B},b_{B})(1-\eta)$ (22) $\displaystyle\times\bigg{\\{}\left[\sqrt{\eta}(1-2z)(\phi_{s}+\phi_{t})+(1+z)\phi_{v}\right]a_{1}(t_{1a})E_{1ab}(t_{1a})h_{1a}(x_{B},z,b_{B},b)$ $\displaystyle+\sqrt{\eta}\left(2\phi_{s}-\sqrt{\eta}\phi_{v}\right)a_{1}(t_{1b})E_{1ab}(t_{1b})h_{1b}(x_{B},z,b_{B},b)\bigg{\\}},$ $\displaystyle F^{\prime LL}_{B\to\pi\pi}$ $\displaystyle=$ $\displaystyle F^{LL}_{B\to\pi\pi}|_{a_{1}\to a_{3}}$ (23) $\displaystyle F^{SP}_{B\to\pi\pi}$ $\displaystyle=$ $\displaystyle-16\pi C_{F}m^{4}_{B}rf_{\pi}\int dx_{B}dz\int b_{B}db_{B}bdb\phi_{B}(x_{B},b_{B})$ (24) $\displaystyle\times\bigg{\\{}\left[\sqrt{\eta}(2+z)\phi_{s}-\sqrt{\eta}z\phi_{t}+(1+\eta(1-2z))\phi_{v}\right]a_{5}(t_{1a})E_{1ab}(t_{1a})h_{1a}(x_{B},z,b_{B},b)$ $\displaystyle+\left[2\sqrt{\eta}(1-x_{B}+\eta)\phi_{s}+(x_{B}-2\eta)\phi_{v}\right]a_{5}(t_{1b})E_{1ab}(t_{1b})h_{1b}(x_{B},z,b_{B},b)\bigg{\\}},$ with $r=m^{\pi}_{0}/m_{B}$ and $\phi_{s,t,v}\equiv\phi_{s,t,v}(z,\zeta,\omega^{2})$. The Wilson coefficients in the above expressions are defined as $a_{1}=C_{1}/N_{c}+C_{2}$, $a_{3}=C_{3}/N_{c}+C_{4}+C_{9}/N_{c}+C_{10}$, and $a_{5}=C_{5}/N_{c}+C_{6}+C_{7}/N_{c}+C_{8}$. The spectator diagrams in Figs. 4(c) and 4(d) lead to $\displaystyle\mathcal{A}_{1(c,d)}=V^{*}_{ub}V_{ud}M^{LL}_{B\to\pi\pi}-V^{*}_{tb}V_{td}\left(M^{\prime LL}_{B\to\pi\pi}+M^{LR}_{B\to\pi\pi}\right),$ (25) with the amplitudes $\displaystyle M^{LL}_{B\to\pi\pi}$ $\displaystyle=$ $\displaystyle 32\pi C_{F}m^{4}_{B}/\sqrt{2N_{c}}\int dx_{B}dzdx_{3}\int b_{B}db_{B}b_{3}db_{3}\phi_{B}(x_{B},b_{B})\phi^{A}_{\pi}(1-\eta)$ (26) $\displaystyle\times\bigg{\\{}\left[\sqrt{\eta}z(\phi_{s}+\phi_{t})+((1-\eta)(1-x_{3})-x_{B}+z\eta)\phi_{v}\right]C_{1}(t_{1c})E_{1cd}(t_{1c})h_{1c}(x_{B},z,x_{3},b_{B},b_{3})$ $\displaystyle-\left[z(\sqrt{\eta}(\phi_{s}-\phi_{t})+\phi_{v})+(x_{3}(1-\eta)-x_{B})\phi_{v}\right]C_{1}(t_{1d})E_{1cd}(t_{1d})h_{1d}(x_{B},z,x_{3},b_{B},b_{3})\bigg{\\}},$ $\displaystyle M^{\prime LL}_{B\to\pi\pi}$ $\displaystyle=$ $\displaystyle M^{LL}_{B\to\pi\pi}|_{C_{1}\to a_{9}}$ (27) $\displaystyle M^{LR}_{B\to\pi\pi}$ $\displaystyle=$ $\displaystyle 32\pi C_{F}rm^{4}_{B}/\sqrt{2N_{c}}\int dx_{B}dzdx_{3}\int b_{B}db_{B}b_{3}db_{3}\phi_{B}(x_{B},b_{B})$ (28) $\displaystyle\times\bigg{\\{}\bigg{[}\sqrt{\eta}z(\phi^{P}_{\pi}+\phi^{T}_{\pi})(\phi_{s}-\phi_{t})+\sqrt{\eta}((1-x_{3})(1-\eta)-x_{B})(\phi^{P}_{\pi}-\phi^{T}_{\pi})$ $\displaystyle\times(\phi_{s}+\phi_{t})-((1-x_{3})(1-\eta)-x_{B})(\phi^{P}_{\pi}-\phi^{T}_{\pi})\phi_{v}-\eta z(\phi^{P}_{\pi}+\phi^{T}_{\pi})\phi_{v}\bigg{]}$ $\displaystyle\times a_{7}(t_{1c})E_{1cd}(t_{1c})h_{1c}(x_{B},z,x_{3},b_{B},b_{3})$ $\displaystyle+\big{[}\sqrt{\eta}z(\phi^{P}_{\pi}-\phi^{T}_{\pi})((\phi_{t}-\phi_{s})+\sqrt{\eta}\phi_{v})+(x_{B}-x_{3}(1-\eta))(\phi^{P}_{\pi}+\phi^{T}_{\pi})$ $\displaystyle\times(\sqrt{\eta}(\phi_{s}+\phi_{t})-\phi_{v})\big{]}a_{7}(t_{1d})E_{1cd}(t_{1d})h_{1d}(x_{B},z,x_{3},b_{B},b_{3})\bigg{\\}},$ and the Wilson coefficients $a_{7}=C_{5}+C_{7}$ and $a_{9}=C_{3}+C_{9}$. For Figs. 4(a) and 4(b), we have $\displaystyle\mathcal{A}^{q=u}_{2(a,b)}$ $\displaystyle=$ $\displaystyle V^{*}_{ub}V_{ud}F^{LL}_{B\to\pi}-V^{*}_{tb}V_{td}\left(F^{\prime LL}_{B\to\pi}+F^{LR}_{B\to\pi}\right),$ (29) $\displaystyle\mathcal{A}^{q=d}_{2(a,b)}$ $\displaystyle=$ $\displaystyle-V^{*}_{tb}V_{td}\left(F^{\prime\prime LL}_{B\to\pi}+F^{\prime LR}_{B\to\pi}+F^{SP}_{B\to\pi}\right).$ (30) The amplitudes involving the $B\to\pi$ transition form factors are expressed as $\displaystyle F^{LL}_{B\to\pi}$ $\displaystyle=$ $\displaystyle 8\pi C_{F}m^{4}_{B}F_{\pi}(\omega^{2})\int dx_{B}dx_{3}\int b_{B}db_{B}b_{3}db_{3}\phi_{B}(x_{B},b_{B})(2\zeta-1)$ (31) $\displaystyle\times\bigg{\\{}\left[(1+x_{3}(1-\eta))(1-\eta)\phi^{A}_{\pi}+r(1-2x_{3})(1-\eta)\phi^{P}_{\pi}+r(1+\eta-2x_{3}(1-\eta))\phi^{T}_{\pi}\right]$ $\displaystyle\times a_{2}(t_{2a})E_{2ab}(t_{2a})h_{2a}(x_{B},x_{3},b_{B},b_{3})$ $\displaystyle+\left[x_{B}(1-\eta)\eta\phi^{A}_{\pi}+2r(1-\eta(1+x_{B}))\phi^{P}_{\pi}\right]a_{2}(t_{2b})E_{2ab}(t_{2b})h_{2b}(x_{B},x_{3},b_{B},b_{3})\bigg{\\}},$ $\displaystyle F^{LR}_{B\to\pi}$ $\displaystyle=$ $\displaystyle F^{LL}_{B\to\pi}|_{a_{2}\to a_{6}},$ (32) $\displaystyle F^{\prime LL}_{B\to\pi}$ $\displaystyle=$ $\displaystyle F^{LL}_{B\to\pi}|_{a_{2}\to a_{4}},$ (33) $\displaystyle F^{\prime LR}_{B\to\pi}$ $\displaystyle=$ $\displaystyle F^{LL}_{B\to\pi}|_{a_{2}\to a_{8}},$ (34) $\displaystyle F^{\prime\prime LL}_{B\to\pi}$ $\displaystyle=$ $\displaystyle F^{LL}_{B\to\pi}|_{a_{2}\to a_{10}},$ (35) $\displaystyle F^{SP}_{B\to\pi}$ $\displaystyle=$ $\displaystyle 16\pi C_{F}m^{4}_{B}\sqrt{\eta}F_{\pi}(\omega^{2})\int dx_{B}dx_{3}\int b_{B}db_{B}b_{3}db_{3}\phi_{B}(x_{B},b_{B})$ (36) $\displaystyle\times\bigg{\\{}\left[(1-\eta)\phi^{A}_{\pi}+r(2+x_{3}(1-\eta))\phi^{P}_{\pi}-rx_{3}(1-\eta)\phi^{T}_{\pi}\right]a_{8}^{\prime}(t_{2a})E_{2ab}(t_{2a})h_{2a}(x_{B},x_{3},b_{B},b_{3})$ $\displaystyle+\left[x_{B}(1-\eta)\phi^{A}_{\pi}+2r(1-x_{B}-\eta)\phi^{P}_{\pi}\right]a_{8}^{\prime}(t_{2b})E_{2ab}(t_{2b})h_{2b}(x_{B},x_{3},b_{B},b_{3})\bigg{\\}},$ in which the Wilson coefficients are given by $a_{2}=C_{1}+C_{2}/N_{c}$, $a_{4}=C_{3}+C_{4}/N_{c}+C_{9}+C_{10}/N_{c}$, $a_{6}=C_{5}+C_{6}/N_{c}+C_{7}+C_{8}/N_{c}$, $a_{8}=C_{5}+C_{6}/N_{c}-C_{7}/2-C_{8}/(2N_{c})$, $a_{8}^{\prime}=C_{5}/N_{c}+C_{6}-C_{7}/(2N_{c})-C_{8}/2$, and $a_{10}=\left[C_{3}+C_{4}-C_{9}/2-C_{10}/2\right](N_{c}+1)/N_{c}$. We derive from Figs. 4(c) and 4(d) $\displaystyle\mathcal{A}^{q=u}_{2(c,d)}$ $\displaystyle=$ $\displaystyle V^{*}_{ub}V_{ud}M^{LL}_{B\to\pi}-V^{*}_{tb}V_{td}\left(M^{\prime LL}_{B\to\pi}+M^{SP}_{B\to\pi}\right),$ (37) $\displaystyle\mathcal{A}^{q=d}_{2(c,d)}$ $\displaystyle=$ $\displaystyle-V^{*}_{tb}V_{td}\left(M^{\prime\prime LL}_{B\to\pi}+M^{LR}_{B\to\pi}+M^{\prime SP}_{B\to\pi}\right),$ (38) with the amplitudes $\displaystyle M^{LL}_{B\to\pi}$ $\displaystyle=$ $\displaystyle 32\pi C_{F}m^{4}_{B}/\sqrt{2N_{c}}\int dx_{B}dzdx_{3}\int b_{B}db_{B}bdb\phi_{B}(x_{B},b_{B})\phi_{v}$ (39) $\displaystyle\times\bigg{\\{}\big{[}(1-x_{B}-z)(1-\eta^{2})\phi^{A}_{\pi}+rx_{3}(1-\eta)(\phi^{P}_{\pi}-\phi^{T}_{\pi})+r(x_{B}+z)\eta(\phi^{P}_{\pi}+\phi^{T}_{\pi})$ $\displaystyle-2r\eta\phi^{P}_{\pi}\big{]}C_{2}(t_{2c})E_{2cd}(t_{2c})h_{2c}(x_{B},z,x_{3},b_{B},b)$ $\displaystyle-\left[(z-x_{B}+x_{3}(1-\eta))(1-\eta)\phi^{A}_{\pi}+r(x_{B}-z)\eta(\phi^{P}_{\pi}-\phi^{T}_{\pi})-rx_{3}(1-\eta)(\phi^{P}_{\pi}+\phi^{T}_{\pi})\right]$ $\displaystyle\times C_{2}(t_{2d})E_{2cd}(t_{2d})h_{2d}(x_{B},z,x_{3},b_{B},b)\bigg{\\}},$ $\displaystyle M^{LR}_{B\to\pi}$ $\displaystyle=$ $\displaystyle 32\pi C_{F}m^{4}_{B}\sqrt{\eta}/\sqrt{2N_{c}}\int dx_{B}dzdx_{3}\int b_{B}db_{B}bdb\phi_{B}(x_{B},b_{B})$ (40) $\displaystyle\times\bigg{\\{}\big{[}(1-x_{B}-z)(1-\eta)(\phi_{s}+\phi_{t})\phi^{A}_{\pi}+r(1-x_{B}-z)(\phi_{s}+\phi_{t})(\phi^{P}_{\pi}-\phi^{T}_{\pi})$ $\displaystyle+r(x_{3}(1-\eta)+\eta)(\phi_{s}-\phi_{t})(\phi^{P}_{\pi}+\phi^{T}_{\pi})\big{]}a_{5}^{\prime}(t_{2c})E_{2cd}(t_{2c})h_{2c}(x_{B},z,x_{3},b_{B},b)$ $\displaystyle-\big{[}(z-x_{B})(1-\eta)(\phi_{s}-\phi_{t})\phi^{A}_{\pi}+r(z-x_{B})(\phi_{s}-\phi_{t})(\phi^{P}_{\pi}-\phi^{T}_{\pi})$ $\displaystyle+rx_{3}(1-\eta)(\phi_{s}+\phi_{t})(\phi^{P}_{\pi}+\phi^{T}_{\pi})\big{]}a_{5}^{\prime}(t_{2d})E_{2cd}(t_{2d})h_{2d}(x_{B},z,x_{3},b_{B},b)\bigg{\\}},$ $\displaystyle M^{SP}_{B\to\pi}$ $\displaystyle=$ $\displaystyle 32\pi C_{F}m^{4}_{B}/\sqrt{2N_{c}}\int dx_{B}dzdx_{3}\int b_{B}db_{B}bdb\phi_{B}(x_{B},b_{B})\phi_{v}$ (41) $\displaystyle\times\bigg{\\{}\big{[}(1+\eta- x_{B}-z+x_{3}(1-\eta))(1-\eta)\phi^{A}_{\pi}+r\eta(x_{B}+z)(\phi^{P}_{\pi}-\phi^{T}_{\pi})$ $\displaystyle- rx_{3}(1-\eta)(\phi^{P}_{\pi}+\phi^{T}_{\pi})-2r\eta\phi^{P}_{\pi}\big{]}a_{6}^{\prime}(t_{2c})E_{2cd}(t_{2c})h_{2c}(x_{B},z,x_{3},b_{B},b)$ $\displaystyle-\left[(z-x_{B})(1-\eta^{2})\phi^{A}_{\pi}-rx_{3}(1-\eta)(\phi^{P}_{\pi}-\phi^{T}_{\pi})+r(x_{B}-z)\eta(\phi^{P}_{\pi}+\phi^{T}_{\pi})\right]$ $\displaystyle\times a_{6}^{\prime}(t_{2d})E_{2cd}(t_{2d})h_{2d}(x_{B},z,x_{3},b_{B},b)\bigg{\\}},$ $\displaystyle M^{\prime LL}_{B\to\pi}$ $\displaystyle=$ $\displaystyle M^{LL}_{B\to\pi}|_{C_{2}\to a_{4}^{\prime}},$ (42) $\displaystyle M^{\prime\prime LL}_{B\to\pi}$ $\displaystyle=$ $\displaystyle M^{LL}_{B\to\pi}|_{C_{2}\to a_{10}^{\prime}},$ (43) $\displaystyle M^{\prime SP}_{B\to\pi}$ $\displaystyle=$ $\displaystyle M^{SP}_{B\to\pi}|_{a_{6}^{\prime}\to a_{6}^{\prime\prime}},$ (44) where the Wilson coefficients are defined as $a_{4}^{\prime}=C_{4}+C_{10}$, $a_{5}^{\prime}=C_{5}-C_{7}/2$, $a_{6}^{\prime}=C_{6}+C_{8}$, $a_{6}^{\prime\prime}=C_{6}-C_{8}/2$, and $a_{10}^{\prime}=C_{3}+C_{4}-C_{9}/2-C_{10}/2$. The factorizable annihilation diagrams in Figs. 4(a) and 4(b) lead to $\displaystyle\mathcal{A}_{3(a,b)}$ $\displaystyle=$ $\displaystyle V^{*}_{ub}V_{ud}F^{LL}_{a\pi}-V^{*}_{tb}V_{td}\left(F^{\prime LL}_{a\pi}+F^{SP}_{a\pi}\right),$ (45) with the three-pion production amplitudes $\displaystyle F^{LL}_{a\pi}$ $\displaystyle=$ $\displaystyle 8\pi C_{F}m^{4}_{B}f_{B}\int dzdx_{3}\int bdbb_{3}db_{3}$ (46) $\displaystyle\times\bigg{\\{}\left[(x_{3}(1-\eta)-1)(1-\eta)\phi^{A}_{\pi}\phi_{v}+2r\sqrt{\eta}(x_{3}(1-\eta)(\phi^{P}_{\pi}-\phi^{T}_{\pi})-2\phi^{P}_{\pi})\phi_{s}\right]$ $\displaystyle\times a_{1}(t_{3a})E_{3ab}(t_{3a})h_{3a}(z,x_{3},b,b_{3})$ $\displaystyle+\left[z(1-\eta)\phi^{A}_{\pi}\phi_{v}+2r\sqrt{\eta}\phi^{P}_{\pi}((1-\eta)(\phi_{s}-\phi_{t})+z(\phi_{s}+\phi_{t}))\right]$ $\displaystyle\times a_{1}(t_{3b})E_{3ab}(t_{3b})h_{3b}(z,x_{3},b,b_{3})\bigg{\\}},$ $\displaystyle F^{\prime LL}_{a\pi}$ $\displaystyle=$ $\displaystyle F^{LL}_{a\pi}|_{a_{1}\to a_{3}},$ (47) $\displaystyle F^{SP}_{a\pi}$ $\displaystyle=$ $\displaystyle 16\pi C_{F}m^{4}_{B}f_{B}\int dzdx_{3}\int bdbb_{3}db_{3}$ (48) $\displaystyle\times\bigg{\\{}\left[2\sqrt{\eta}(1-\eta)\phi^{A}_{\pi}\phi_{s}+r(1-x_{3})(\phi^{P}_{\pi}+\phi^{T}_{\pi})\phi_{v}+r\eta((1+x_{3})\phi^{P}_{\pi}-(1-x_{3})\phi^{T}_{\pi})\phi_{v}\right]$ $\displaystyle\times a_{5}(t_{3a})E_{3ab}(t_{3a})h_{3a}(z,x_{3},b,b_{3})$ $\displaystyle+\left[2r(1-\eta)\phi^{P}_{\pi}\phi_{v}+z\sqrt{\eta}((1-\eta)\phi^{A}_{\pi}(\phi_{s}-\phi_{t})+2r\sqrt{\eta}\phi^{P}_{\pi}\phi_{v})\right]$ $\displaystyle\times a_{5}(t_{3b})E_{3ab}(t_{3b})h_{3b}(z,x_{3},b,b_{3})\bigg{\\}}.$ The nonfactorizable annihilation diagrams in Figs. 4(c) and 4(d) give $\displaystyle\mathcal{A}_{3(c,d)}=V^{*}_{ub}V_{ud}M^{LL}_{a\pi}-V^{*}_{tb}V_{td}\left(M^{\prime LL}_{a\pi}+M^{LR}_{a\pi}\right),$ (49) with the amplitudes $\displaystyle M^{LL}_{a\pi}$ $\displaystyle=$ $\displaystyle 32\pi C_{F}m^{4}_{B}/\sqrt{2N_{c}}\int dx_{B}dzdx_{3}\int b_{B}db_{B}b_{3}db_{3}\phi_{B}(x_{B},b_{B})$ (50) $\displaystyle\times\bigg{\\{}\big{[}(1-\eta)(\eta-(1+\eta)(x_{B}+z))\phi^{A}_{\pi}\phi_{v}+r\sqrt{\eta}(x_{3}(1-\eta)+\eta)(\phi^{P}_{\pi}+\phi^{T}_{\pi})(\phi_{s}-\phi_{t})$ $\displaystyle-r\sqrt{\eta}(1-x_{B}-z)(\phi^{P}_{\pi}-\phi^{T}_{\pi})(\phi_{s}+\phi_{t})+4r\sqrt{\eta}\phi^{P}_{\pi}\phi_{s}\big{]}C_{1}(t_{3c})E_{3cd}(t_{3c})h_{3c}(x_{B},z,x_{3},b_{B},b_{3})$ $\displaystyle+\big{[}(1-\eta)(1-x_{3}(1-\eta)-\eta(1+x_{B}-z))\phi^{A}_{\pi}\phi_{v}-r\sqrt{\eta}(x_{B}-z)(\phi^{P}_{\pi}+\phi^{T}_{\pi})(\phi_{s}-\phi_{t})$ $\displaystyle+r\sqrt{\eta}(1-\eta)(1-x_{3})(\phi^{P}_{\pi}-\phi^{T}_{\pi})(\phi_{s}+\phi_{t})\big{]}C_{1}(t_{3d})E_{3cd}(t_{3d})h_{3d}(x_{B},z,x_{3},b_{B},b_{3})\bigg{\\}},$ $\displaystyle M^{\prime LL}_{a\pi}$ $\displaystyle=$ $\displaystyle M^{LL}_{a\pi}|_{C_{1}\to a_{9}},$ (51) $\displaystyle M^{LR}_{a\pi}$ $\displaystyle=$ $\displaystyle 32\pi C_{F}m^{4}_{B}/\sqrt{2N_{c}}\int dx_{B}dzdx_{3}\int b_{B}db_{B}b_{3}db_{3}\phi_{B}(x_{B},b_{B})$ (52) $\displaystyle\times\bigg{\\{}\big{[}\sqrt{\eta}(1-\eta)(2-x_{B}-z)\phi^{A}_{\pi}(\phi_{s}+\phi_{t})-r(1+x_{3})(\phi^{P}_{\pi}-\phi^{T}_{\pi})\phi_{v}$ $\displaystyle-r\eta[(1-x_{B}-z)(\phi^{P}_{\pi}+\phi^{T}_{\pi})-x_{3}(\phi^{P}_{\pi}-\phi^{T}_{\pi})+2\phi^{P}_{\pi}]\phi_{v}\big{]}a_{7}(t_{3c})E_{3cd}(t_{3c})h_{3c}(x_{B},z,x_{3},b_{B},b_{3})$ $\displaystyle-\big{[}r(1-\eta)(1-x_{3})(\phi^{P}_{\pi}-\phi^{T}_{\pi})\phi_{v}-\sqrt{\eta}(x_{B}-z)[r\sqrt{\eta}(\phi^{P}_{\pi}+\phi^{T}_{\pi})\phi_{v}$ $\displaystyle-(1-\eta)\phi^{A}_{\pi}(\phi_{s}+\phi_{t})]\big{]}a_{7}(t_{3d})E_{3cd}(t_{3d})h_{3d}(x_{B},z,x_{3},b_{B},b_{3})\bigg{\\}}.$ Similarly, we derive from Figs. 4(a) and 4(b) $\displaystyle\mathcal{A}_{4(a,b)}$ $\displaystyle=$ $\displaystyle V^{*}_{ub}V_{ud}F^{LL}_{a\pi\pi}-V^{*}_{tb}V_{td}\left(F^{\prime LL}_{a\pi\pi}+F^{SP}_{a\pi\pi}\right),$ (53) with the three-pion production amplitudes $\displaystyle F^{LL}_{a\pi\pi}$ $\displaystyle=$ $\displaystyle 8\pi C_{F}m^{4}_{B}f_{B}\int dzdx_{3}\int bdbb_{3}db_{3}$ (54) $\displaystyle\times\bigg{\\{}\left[2r\sqrt{\eta}\phi^{P}_{\pi}((2-z)\phi_{s}+z\phi_{t})-(1-\eta)(1-z)\phi^{A}_{\pi}\phi_{v}\right]a_{1}(t_{4a})E_{4ab}(t_{4a})h_{4a}(z,x_{3},b,b_{3})$ $\displaystyle+\big{[}2r\sqrt{\eta}[(1-x_{3})(1-z)\phi^{T}_{\pi}-(1+x_{3}+(1-x_{3})\eta)\phi^{P}_{\pi}]\phi_{s}$ $\displaystyle+(x_{3}(1-\eta)+\eta)(1-\eta)\phi^{A}_{\pi}\phi_{v}\big{]}a_{1}(t_{4b})E_{4ab}(t_{4b})h_{4b}(z,x_{3},b,b_{3})\bigg{\\}},$ $\displaystyle F^{\prime LL}_{a\pi\pi}$ $\displaystyle=$ $\displaystyle F^{LL}_{a\pi\pi}|_{a_{1}\to a_{3}}$ (55) $\displaystyle F^{SP}_{a\pi\pi}$ $\displaystyle=$ $\displaystyle 16\pi C_{F}m^{4}_{B}f_{B}\int dzdx_{3}\int bdbb_{3}db_{3}$ (56) $\displaystyle\times\bigg{\\{}\left[\sqrt{\eta}(1-\eta)(1-z)\phi^{A}_{\pi}(\phi_{s}+\phi_{t})-2r(1+(1-z)\eta)\phi^{P}_{\pi}\phi_{v}\right]$ $\displaystyle\times a_{5}(t_{4a})E_{4ab}(t_{4a})h_{4a}(z,x_{3},b,b_{3})$ $\displaystyle+\left[2\sqrt{\eta}(1-\eta)\phi^{A}_{\pi}\phi_{s}-r(2\eta+x_{3}(1-\eta))\phi^{P}_{\pi}\phi_{v}+rx_{3}(1-\eta)\phi^{T}_{\pi}\phi_{v}\right]$ $\displaystyle\times a_{5}(t_{4b})E_{4ab}(t_{4b})h_{4b}(z,x_{3},b,b_{3})\bigg{\\}},$ and from Figs. 4(c) and 4(d) $\displaystyle\mathcal{A}_{4(c,d)}=V^{*}_{ub}V_{ud}M^{LL}_{a\pi\pi}-V^{*}_{tb}V_{td}\left(M^{\prime LL}_{a\pi\pi}+M^{LR}_{a\pi\pi}\right),$ (57) with the amplitudes $\displaystyle M^{LL}_{a\pi\pi}$ $\displaystyle=$ $\displaystyle 32\pi C_{F}m^{4}_{B}/\sqrt{2N_{c}}\int dx_{B}dzdx_{3}\int b_{B}db_{B}b_{3}db_{3}\phi_{B}(x_{B},b_{B})$ (58) $\displaystyle\times\bigg{\\{}\big{[}(\eta-1)[x_{3}(1-\eta)+x_{B}+\eta(1-z)]\phi^{A}_{\pi}\phi_{v}+r\sqrt{\eta}(x_{3}(1-\eta)+x_{B}+\eta)(\phi^{P}_{\pi}+\phi^{T}_{\pi})$ $\displaystyle\times(\phi_{s}-\phi_{t})+r\sqrt{\eta}(1-z)(\phi^{P}_{\pi}-\phi^{T}_{\pi})(\phi_{s}+\phi_{t})+2r\sqrt{\eta}(\phi^{P}_{\pi}\phi_{s}+\phi^{T}_{\pi}\phi_{t})\big{]}$ $\displaystyle\times C_{1}(t_{4c})E_{4cd}(t_{4c})h_{4c}(x_{B},z,x_{3},b_{B},b_{3})$ $\displaystyle+\big{[}(1-\eta^{2})(1-z)\phi^{A}_{\pi}\phi_{v}+r\sqrt{\eta}(x_{B}-x_{3}(1-\eta)-\eta)(\phi^{P}_{\pi}-\phi^{T}_{\pi})(\phi_{s}+\phi_{t})$ $\displaystyle-r\sqrt{\eta}(1-z)(\phi^{P}_{\pi}+\phi^{T}_{\pi})(\phi_{s}-\phi_{t})\big{]}C_{1}(t_{4d})E_{4cd}(t_{4d})h_{4d}(x_{B},z,x_{3},b_{B},b_{3})\bigg{\\}},$ $\displaystyle M^{\prime LL}_{a\pi\pi}$ $\displaystyle=$ $\displaystyle M^{LL}_{a\pi\pi}|_{C_{1}\to a_{9}},$ (59) $\displaystyle M^{LR}_{a\pi\pi}$ $\displaystyle=$ $\displaystyle-32\pi C_{F}m^{4}_{B}/\sqrt{2N_{c}}\int dx_{B}dzdx_{3}\int b_{B}db_{B}b_{3}db_{3}\phi_{B}(x_{B},b_{B})$ (60) $\displaystyle\times\bigg{\\{}\big{[}\sqrt{\eta}(1-\eta)(1+z)\phi^{A}_{\pi}(\phi_{s}-\phi_{t})+r(2-x_{B}-x_{3}(1-\eta))(\phi^{P}_{\pi}+\phi^{T}_{\pi})\phi_{v}$ $\displaystyle+r\eta(z\phi^{P}_{\pi}-(2+z)\phi^{T}_{\pi})\phi_{v}\big{]}a_{7}(t_{4c})E_{4cd}(t_{4c})h_{4c}(x_{B},z,x_{3},b_{B},b_{3})$ $\displaystyle+\big{[}\sqrt{\eta}(1-\eta)(1-z)\phi^{A}_{\pi}(\phi_{s}-\phi_{t})+r(x_{3}(1-\eta)-x_{B})(\phi^{P}_{\pi}+\phi^{T}_{\pi})\phi_{v}$ $\displaystyle+r\eta((2-z)\phi^{P}_{\pi}+z\phi^{T}_{\pi})\phi_{v}\big{]}a_{7}(t_{4d})E_{4cd}(t_{4d})h_{4d}(x_{B},z,x_{3},b_{B},b_{3})\bigg{\\}}.$ The threshold resummation factor $S_{t}(x)$ follows the parametrization in prd65-014007 $\displaystyle S_{t}(x)=\frac{2^{1+2c}\Gamma(3/2+c)}{\sqrt{\pi}\Gamma(1+c)}[x(1-x)]^{c},$ (61) in which the parameter is set to $c=0.3$. The hard functions are written as $\displaystyle h_{1a}(x_{B},z,b_{B},b)$ $\displaystyle=$ $\displaystyle K_{0}(m_{B}\sqrt{x_{B}z}b_{B})\big{[}\theta(b_{B}-b)K_{0}(m_{B}\sqrt{z}b_{B})I_{0}(m_{B}\sqrt{z}b)+(b\leftrightarrow b_{B})\big{]}S_{t}(z),$ $\displaystyle h_{1b}(x_{B},z,b_{B},b)$ $\displaystyle=$ $\displaystyle K_{0}(m_{B}\sqrt{x_{B}z}b_{2})S_{t}(x_{B})$ (64) $\displaystyle\times\left\\{\begin{array}[]{ll}\frac{i\pi}{2}\left[\theta(b-b_{B})H_{0}^{(1)}(m_{B}\sqrt{\eta- x_{B}}b)J_{0}(m_{B}\sqrt{\eta-x_{B}}b_{B})+(b\leftrightarrow b_{B})\right],~{}x_{B}<\eta,\\\ \left[\theta(b-b_{B})K_{0}(m_{B}\sqrt{x_{B}-\eta}b)I_{0}(m_{B}\sqrt{x_{B}-\eta}b_{B})+(b\leftrightarrow b_{B})\right],\quad\quad~{}~{}x_{B}\geq\eta,\\\ \end{array}\right.$ $\displaystyle h_{1c}(x_{B},z,x_{3},b_{B},b_{3})$ $\displaystyle=$ $\displaystyle\big{[}\theta(b_{B}-b_{3})K_{0}(m_{B}\sqrt{x_{B}z}b_{B})I_{0}(m_{B}\sqrt{x_{B}z}b_{3})+(b_{B}\leftrightarrow b_{3})\big{]}$ (67) $\displaystyle\times\left\\{\begin{array}[]{ll}\frac{i\pi}{2}H_{0}^{(1)}(m_{B}\sqrt{z[(1-\eta)(1-x_{3})-x_{B}]}b_{3}),~{}\quad\quad(1-\eta)(1-x_{3})>x_{B},\\\ K_{0}(m_{B}\sqrt{z[x_{B}-(1-\eta)(1-x_{3})]}b_{3}),~{}~{}~{}\quad\quad\quad(1-\eta)(1-x_{3})\leq x_{B},\end{array}\right.$ $\displaystyle h_{1d}(x_{B},z,x_{3},b_{B},b_{3})$ $\displaystyle=$ $\displaystyle\big{[}\theta(b_{B}-b_{3})K_{0}(m_{B}\sqrt{x_{B}z}b_{B})I_{0}(m_{B}\sqrt{x_{B}z}b_{3})+(b_{B}\leftrightarrow b_{3})\big{]}$ (70) $\displaystyle\times\left\\{\begin{array}[]{ll}\frac{i\pi}{2}H_{0}^{(1)}(m_{B}\sqrt{z[x_{3}(1-\eta)-x_{B}]}b_{3}),~{}\quad\quad x_{3}(1-\eta)>x_{B},\\\ K_{0}(m_{B}\sqrt{z[x_{B}-x_{3}(1-\eta)]}b_{3}),~{}~{}~{}\quad\quad\quad x_{3}(1-\eta)\leq x_{B},\end{array}\right.$ $\displaystyle h_{2a}(x_{B},x_{3},b_{B},b_{3})$ $\displaystyle=$ $\displaystyle K_{0}(m_{B}\sqrt{x_{B}x_{3}(1-\eta)}b_{B})\big{[}\theta(b_{B}-b_{3})K_{0}(m_{B}\sqrt{x_{3}(1-\eta)}b_{B})$ $\displaystyle\times I_{0}(m_{B}\sqrt{x_{3}(1-\eta)}b_{3})+(b_{3}\leftrightarrow b_{B})\big{]}S_{t}(x_{3}),$ $\displaystyle h_{2b}(x_{B},x_{3},b_{B},b_{3})$ $\displaystyle=$ $\displaystyle h_{2a}(x_{3},x_{B},b_{3},b_{B}),$ $\displaystyle h_{2c}(x_{B},z,x_{3},b_{B},b)$ $\displaystyle=$ $\displaystyle\big{[}\theta(b_{B}-b)K_{0}(m_{B}\sqrt{x_{B}x_{3}(1-\eta)}b_{B})I_{0}(m_{B}\sqrt{x_{B}x_{3}(1-\eta)}b)$ (73) $\displaystyle+(b_{B}\leftrightarrow b)\big{]}\left\\{\begin{array}[]{ll}\frac{i\pi}{2}H_{0}^{(1)}(m_{B}\sqrt{(1-x_{B}-z)[x_{3}(1-\eta)+\eta]}b),~{}\quad\quad x_{B}+z<1,\\\ K_{0}(m_{B}\sqrt{(x_{B}+z-1)[x_{3}(1-\eta)+\eta]}b),~{}~{}~{}\quad\quad\quad x_{B}+z\geq 1,\end{array}\right.$ $\displaystyle h_{2d}(x_{B},z,x_{3},b_{B},b)$ $\displaystyle=$ $\displaystyle\big{[}\theta(b_{B}-b)K_{0}(m_{B}\sqrt{x_{B}x_{3}(1-\eta)}b_{B})I_{0}(m_{B}\sqrt{x_{B}x_{3}(1-\eta)}b)$ (76) $\displaystyle+(b_{B}\leftrightarrow b)\big{]}\left\\{\begin{array}[]{ll}\frac{i\pi}{2}H_{0}^{(1)}(m_{B}\sqrt{x_{3}(z-x_{B})(1-\eta)}b),~{}\quad\quad x_{B}<z,\\\ K_{0}(m_{B}\sqrt{x_{3}(x_{B}-z)(1-\eta)}b),~{}~{}~{}\quad\quad\quad x_{B}\geq z,\end{array}\right.$ $\displaystyle h_{3a}(z,x_{3},b,b_{3})$ $\displaystyle=$ $\displaystyle\left(\frac{i\pi}{2}\right)^{2}H_{0}^{(1)}(m_{B}\sqrt{(1-x_{3})z(1-\eta)}b)S_{t}(x_{3})$ $\displaystyle\times\big{[}\theta(b-b_{3})H_{0}^{(1)}(m_{B}\sqrt{1-x_{3}(1-\eta)}b)J_{0}(m_{B}\sqrt{1-x_{3}(1-\eta)}b_{3})+(b\leftrightarrow b_{3})\big{]},$ $\displaystyle h_{3b}(z,x_{3},b,b_{3})$ $\displaystyle=$ $\displaystyle\left(\frac{i\pi}{2}\right)^{2}H_{0}^{(1)}(m_{B}\sqrt{(1-x_{3})z(1-\eta)}b_{3})S_{t}(z)$ $\displaystyle\times\big{[}\theta(b-b_{3})H_{0}^{(1)}(m_{B}\sqrt{z(1-\eta)}b)J_{0}(m_{B}\sqrt{z(1-\eta)}b_{3})+(b\leftrightarrow b_{3})\big{]},$ $\displaystyle h_{3c}(x_{B},z,x_{3},b_{B},b_{3})$ $\displaystyle=$ $\displaystyle\frac{i\pi}{2}K_{0}(m_{B}\sqrt{1-x_{3}(1-x_{B}-z)(1-\eta)+(x_{B}+z-1)\eta}b_{B})$ $\displaystyle\times\big{[}\theta(b_{B}-b_{3})H_{0}^{(1)}(m_{B}\sqrt{(1-x_{3})z(1-\eta)}b_{B})J_{0}(m_{B}\sqrt{(1-x_{3})z(1-\eta)}b_{3})$ $\displaystyle+(b_{B}\leftrightarrow b_{3})\big{]},$ $\displaystyle h_{3d}(x_{B},z,x_{3},b_{B},b_{3})$ $\displaystyle=$ $\displaystyle\frac{i\pi}{2}\big{[}\theta(b_{B}-b_{3})H_{0}^{(1)}(m_{B}\sqrt{(1-x_{3})z(1-\eta)}b_{B})J_{0}(m_{B}\sqrt{(1-x_{3})z(1-\eta)}b_{3})+(b_{B}\leftrightarrow b_{3})\big{]}$ (79) $\displaystyle\times\left\\{\begin{array}[]{ll}\frac{i\pi}{2}H_{0}^{(1)}(m_{B}\sqrt{(1-x_{3})(z-x_{B})(1-\eta)}b_{B}),~{}\quad\quad x_{B}<z,\\\ K_{0}(m_{B}\sqrt{(1-x_{3})(x_{B}-z)(1-\eta)}b_{B}),~{}~{}~{}\quad\quad\quad x_{B}\geq z,\end{array}\right.$ $\displaystyle h_{4a}(z,x_{3},b,b_{3})$ $\displaystyle=$ $\displaystyle\left(\frac{i\pi}{2}\right)^{2}H_{0}^{(1)}(m_{B}\sqrt{(1-z)(\eta+x_{3}(1-\eta))}b_{3})S_{t}(z)$ $\displaystyle\times\big{[}\theta(b-b_{3})H_{0}^{(1)}(m_{B}\sqrt{1-z}b)J_{0}(m_{B}\sqrt{1-z}b_{3})+(b\leftrightarrow b_{3})\big{]},$ $\displaystyle h_{4b}(z,x_{3},b,b_{3})$ $\displaystyle=$ $\displaystyle\left(\frac{i\pi}{2}\right)^{2}H_{0}^{(1)}(m_{B}\sqrt{(1-z)(\eta+x_{3}(1-\eta))}b)S_{t}(x_{3})$ $\displaystyle\times\big{[}\theta(b-b_{3})H_{0}^{(1)}(m_{B}\sqrt{\eta+x_{3}(1-\eta)}b)J_{0}(m_{B}\sqrt{\eta+x_{3}(1-\eta)}b_{3})+(b\leftrightarrow b_{3})\big{]},$ $\displaystyle h_{4c}(x_{B},z,x_{3},b_{B},b_{3})$ $\displaystyle=$ $\displaystyle\frac{i\pi}{2}K_{0}(m_{B}\sqrt{1-z((1-x_{3})(1-\eta)-x_{B})}b_{B})$ $\displaystyle\times\big{[}\theta(b_{B}-b_{3})H_{0}^{(1)}(m_{B}\sqrt{(1-z)(\eta+x_{3}(1-\eta))}b_{B})J_{0}(m_{B}\sqrt{(1-z)(\eta+x_{3}(1-\eta))}b_{3})$ $\displaystyle+(b_{B}\leftrightarrow b_{3})\big{]},$ $\displaystyle h_{4d}(x_{B},z,x_{3},b,b_{3})$ $\displaystyle=$ $\displaystyle\frac{i\pi}{2}\big{[}\theta(b_{B}-b_{3})H_{0}^{(1)}(m_{B}\sqrt{(1-z)(\eta+x_{3}(1-\eta))}b_{B})$ (82) $\displaystyle\times J_{0}(m_{B}\sqrt{(1-z)(\eta+x_{3}(1-\eta))}b_{3})+(b_{B}\leftrightarrow b_{3})\big{]}$ $\displaystyle\times\left\\{\begin{array}[]{ll}\frac{i\pi}{2}H_{0}^{(1)}(m_{B}\sqrt{(1-z)(\eta+x_{3}(1-\eta)-x_{B})}b_{B}),~{}\quad x_{B}<\eta+x_{3}(1-\eta),\\\ K_{0}(m_{B}\sqrt{(1-z)(x_{B}-\eta- x_{3}(1-\eta))}b_{B}),~{}~{}~{}\quad\quad x_{B}\geq\eta+x_{3}(1-\eta),\end{array}\right.$ with the Hankel function $H_{0}^{(1)}(x)=J_{0}(x)+iY_{0}(x)$. The evolution factors in the above factorization formulas are given by $\displaystyle E_{1ab}(t)$ $\displaystyle=$ $\displaystyle\alpha_{s}(t)\exp[-S_{B}(t)-S_{Ms}(t)],$ $\displaystyle E_{1cd}(t)$ $\displaystyle=$ $\displaystyle\alpha_{s}(t)\exp[-S_{B}(t)-S_{Ms}(t)-S_{\pi}]|_{b=b_{B}},$ $\displaystyle E_{2ab}(t)$ $\displaystyle=$ $\displaystyle\alpha_{s}(t)\exp[-S_{B}(t)-S_{\pi}(t)],$ $\displaystyle E_{2cd}(t)$ $\displaystyle=$ $\displaystyle\alpha_{s}(t)\exp[-S_{B}(t)-S_{Ms}(t)-S_{\pi}]|_{b_{3}=b_{B}},$ $\displaystyle E_{3ab}(t)$ $\displaystyle=$ $\displaystyle\alpha_{s}(t)\exp[-S_{Ms}-S_{\pi}(t)],$ $\displaystyle E_{3cd}(t)$ $\displaystyle=$ $\displaystyle\alpha_{s}(t)\exp[-S_{B}(t)-S_{Ms}(t)-S_{\pi}]|_{b_{3}=b},$ $\displaystyle E_{4ab}(t)$ $\displaystyle=$ $\displaystyle E_{3ab}(t),$ $\displaystyle E_{4cd}(t)$ $\displaystyle=$ $\displaystyle E_{3cd}(t),$ (83) in which the Sudakov exponents are defined as $\displaystyle S_{B}$ $\displaystyle=$ $\displaystyle s\left(x_{B}\frac{m_{B}}{\sqrt{2}},b_{B}\right)+\frac{5}{3}\int^{t}_{1/b_{B}}\frac{d\bar{\mu}}{\bar{\mu}}\gamma_{q}(\alpha_{s}(\bar{\mu})),$ $\displaystyle S_{Ms}$ $\displaystyle=$ $\displaystyle s\left(z\frac{m_{B}}{\sqrt{2}},b\right)+s\left((1-z)\frac{m_{B}}{\sqrt{2}},b\right)+2\int^{t}_{1/b}\frac{d\bar{\mu}}{\bar{\mu}}\gamma_{q}(\alpha_{s}(\bar{\mu})),$ $\displaystyle S_{\pi}$ $\displaystyle=$ $\displaystyle s\left(x_{3}\frac{m_{B}}{\sqrt{2}},b_{3}\right)+s\left((1-x_{3})\frac{m_{B}}{\sqrt{2}},b_{3}\right)+2\int^{t}_{1/b_{3}}\frac{d\bar{\mu}}{\bar{\mu}}\gamma_{q}(\alpha_{s}(\bar{\mu})),$ (84) with the quark anomalous dimension $\gamma_{q}=-\alpha_{s}/\pi$. The explicit expressions of the functions $s(Q,b)$ can be found, for example, in Appendix A of Ref. prd76-074018 . The involved hard scales are chosen in the PQCD approach as $\displaystyle t_{1a}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{z},1/b_{B},1/b\right\\},$ $\displaystyle t_{1b}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{|x_{B}-\eta|},1/b_{B},1/b\right\\},$ $\displaystyle t_{1c}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{x_{B}z},m_{B}\sqrt{z|(1-\eta)(1-x_{3})-x_{B}|},1/b_{B},1/b_{3},\right\\},$ $\displaystyle t_{1d}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{x_{B}z},m_{B}\sqrt{z|x_{B}-x_{3}(1-\eta)|},1/b_{B},1/b_{3}\right\\},$ $\displaystyle t_{2a}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{x_{3}(1-\eta)},1/b_{B},1/b_{3}\right\\},$ $\displaystyle t_{2b}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{x_{B}(1-\eta)},1/b_{B},1/b_{3}\right\\},$ $\displaystyle t_{2c}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{x_{B}x_{3}(1-\eta)},m_{B}\sqrt{|1-x_{B}-z|[x_{3}(1-\eta)+\eta]},1/b_{B},1/b,\right\\},$ $\displaystyle t_{2d}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{x_{B}x_{3}(1-\eta)},m_{B}\sqrt{|x_{B}-z|x_{3}(1-\eta)},1/b_{B},1/b\right\\},$ $\displaystyle t_{3a}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{1-x_{3}(1-\eta)},1/b,1/b_{3}\right\\},$ $\displaystyle t_{3b}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{z(1-\eta)},1/b,1/b_{3}\right\\},$ $\displaystyle t_{3c}$ $\displaystyle=$ $\displaystyle\max\bigg{\\{}m_{B}\sqrt{(1-x_{3})z(1-\eta)},m_{B}\sqrt{1-x_{3}(1-x_{B}-z)(1-\eta)+(x_{B}+z-1)\eta},$ $\displaystyle\quad\quad\quad 1/b_{B},1/b_{3},\bigg{\\}},$ $\displaystyle t_{3d}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{(1-x_{3})z(1-\eta)},m_{B}\sqrt{|x_{B}-z|(1-x_{3})(1-\eta)},1/b_{B},1/b_{3}\right\\},$ $\displaystyle t_{4a}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{1-z},1/b,1/b_{3}\right\\},$ $\displaystyle t_{4b}$ $\displaystyle=$ $\displaystyle\max\left\\{m_{B}\sqrt{\eta+x_{3}(1-\eta)},1/b,1/b_{3}\right\\},$ $\displaystyle t_{4c}$ $\displaystyle=$ $\displaystyle\max\bigg{\\{}m_{B}\sqrt{(1-z)(\eta+x_{3}(1-\eta))},m_{B}\sqrt{1-z((1-x_{3})(1-\eta)-x_{B})},$ $\displaystyle\quad\quad\quad 1/b_{B},1/b_{3},\bigg{\\}},$ $\displaystyle t_{4d}$ $\displaystyle=$ $\displaystyle\max\bigg{\\{}m_{B}\sqrt{(1-z)(\eta+x_{3}(1-\eta))},m_{B}\sqrt{(1-z)|x_{B}-\eta- x_{3}(1-\eta)|},$ (85) $\displaystyle\quad\quad\quad 1/b_{B},1/b_{3}\bigg{\\}}.$ ## References * (1) C.H. 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arxiv-papers
2014-02-21T12:41:05
2024-09-04T02:49:58.530729
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Wen-Fei Wang, Hao-Chung Hu, Hsiang-nan Li and Cai-Dian L\\\"u", "submitter": "Wen-Fei Wang", "url": "https://arxiv.org/abs/1402.5280" }
1402.5301
]http://www.chalmers.se/rss/ # Gyrokinetic modelling of stationary electron and impurity profiles in tokamaks A. Skyman [email protected] H. Nordman [email protected] D. Tegnered [email protected] Euratom–VR Association, Department of Earth and Space Sciences, Chalmers University of Technology, SE-412 96 Göteborg, Sweden [ ###### Abstract Particle transport due to Ion Temperature Gradient/Trapped Electron (ITG/TE) mode turbulence is investigated using the gyrokinetic code GENE. Both a reduced quasilinear (QL) treatment and nonlinear (NL) simulations are performed for typical tokamak parameters corresponding to ITG dominated turbulence. A selfconsistent treatment is used, where the stationary local profiles are calculated corresponding to zero particle flux simultaneously for electrons and trace impurities. The scaling of the stationary profiles with magnetic shear, safety factor, electron-to-ion temperature ratio, collisionality, toroidal sheared rotation, triangularity, and elongation is investigated. In addition, the effect of different main ion mass on the zero flux condition is discussed. The electron density gradient can significantly affect the stationary impurity profile scaling. It is therefore expected, that a selfconsistent treatment will yield results more comparable to experimental results for parameter scans where the stationary background density profile is sensitive. This is shown to be the case in scans over magnetic shear, collisionality, elongation, and temperature ratio, for which the simultaneous zero flux electron and impurity profiles are calculated. A slight asymmetry between hydrogen, deuterium and tritium with respect to profile peaking is obtained, in particular for scans in collisionality and temperature ratio. ###### pacs: 28.52.Av, 52.25.Vy, 52.30.Ex, 52.30.Gz, 52.35.Ra, 52.55.Fa, 52.65.Tt ## I Introduction It is well known that the shape of the main ion density and impurity profiles are crucial for the performance of a fusion device. Inward peaking of the main ion (electron) density profile is beneficial for the fusion performance since it enhances the fusion power production. For impurities on the other hand, a flat or hollow profile is preferred, since impurity accumulation in the core leads to fuel dilution and radiation losses which degrades performance. The particle profiles are determined by a balance between particle sources and particle fluxes, a subject which historically has been given much less attention than energy transport and the associated temperature profiles. Hence, electron density profiles are often treated as a parameter in theoretical studies of transport rather than being selfconsistently calculated. Turbulent transport in the core of tokamaks is expected to be driven mainly by Ion Temperature Gradient (ITG) and Trapped Electron (TE) modes. Impurity transport driven by ITG/TE mode turbulence has been investigated in a number of theoretical studies.Frojdh1992 ; Basu2003 ; Angioni2005 ; Estrada-Mila2005 ; Naulin2005 ; Angioni2006 ; Guirlet2006 ; Bourdelle2007 ; Dubuit2007 ; Nordman2007a ; Angioni2008 ; Nordman2008 ; Angioni2009a ; Angioni2009c ; Camenen2009 ; Moradi2009 ; Fable2010 ; Fulop2010 ; Futatani2010 ; Hein2010 ; Angioni2011 ; Nordman2011 ; Skyman2011a ; Skyman2011b ; Casson2013 ; Skyman2014 Most work in this area has been focused on either scalings of stationary electron profiles or on impurity transport using prescribed electron density profiles. It is well established theoretically that turbulent particle transport in tokamaks has contributions from both diagonal (diffusive) and non-diagonal (convective) terms. The non-diagonal transport contributions may give rise to an inward pinch which can support an inwardly peaked profile even in the absence of particle sources in the core. The stationary peaked profile is then obtained from a balance between diffusion and convection. It is known that the electron density gradient can significantly affect the stationary impurity profile scaling.Skyman2011b In the present work, therefore, the background electron density and impurity peaking is treated selfconsistently, by simultaneously calculating the local profiles corresponding to zero turbulent particle flux of both electrons and impurities. Linear and nonlinear gyrokinetic simulations using the code GENE111http://www.ipp.mpg.de/~fsj/gene/ are employed.Jenko2000 ; Merz2008a The scaling of the stationary profiles with key plasma parameters like magnetic shear, temperature ratio and temperature gradient, toroidal sheared rotation, safety factor, and collisionality is investigated for a deuterium (D) plasma. The isotope scaling of stationary profiles, for hydrogen (H) and tritium (T) plasmas, is also studied. The parameters are taken from the Cyclone Base Case (CBCDimits2000 ), but with deuterium as main ions; see Tab. 1 for the main parameters. It is an ITG mode dominated scenario and, though set far from marginal stability, is an interesting case for study, and is widely used as a testing ground and benchmark for theoretical and numerical studies. The rest of the paper is organised as follows: In section II the theoretical background is given, including considerations regarding analysis and numerics; the main results are presented in section III, where scalings of the stationary profiles for electrons and impurities are presented; results for background peaking for different main ion isotopes is presented and discussed in section IV; finally, in section V, follow the concluding remarks. Table 1: Parameters for the Cyclone Base Case (CBC). † denotes derived parameters $r/R$ | $0.18$ ---|--- $\hat{s}$ | $0.796$ $q_{0}$ | $1.4$ $R/L_{n_{i,e}}$ | $2.22$ $R/L_{T_{i,e}}$ | $6.96$ $T_{i}/T_{e}$ | $1.0$ $T_{e}$ | $2.85\,\mathrm{keV}$ $n_{e}$ | $3.51\cdot 10^{19}\,\mathrm{m^{-3}}$ $B_{0}$ | $3.1\,\mathrm{T}$ $R$ | $1.65\,\mathrm{m}$ $\beta$ | $0$ $\nu_{ei}$† | $0.05$ $c_{s}/R$ ## II Background The local particle transport for species $j$ can be formally divided into its diagonal and off-diagonal parts $\frac{R\Gamma_{j}}{n_{j}}=D_{j}\frac{R}{L_{n_{j}}}+D_{T_{j}}\frac{R}{L_{T_{j}}}+RV_{p,j}.$ (1) Here, the first term on the right hand side is the diffusion and the second and third constitute the off-diagonal pinch. The first of the pinch terms is the particle transport due to the temperature gradient (thermo-diffusion) and the second is the convective velocity, which includes contributions from curvature, parallel compression and roto-diffusion. In equation (1), $R/L_{X_{j}}\equiv-R\nabla X_{j}/X_{j}$ are the local gradient scale lengths of density and temperature, normalised to the major radius ($R$). In general, the transport coefficients dependent on the gradients, though in the trace impurity limit the transport is linear in both $R/L_{n_{Z}}$ and $R/L_{T_{Z}}$. A review of the off-diagonal contributions is given in Ref. Angioni2012, . At steady state, the contributions from the different terms in the particle transport will tend to cancel, resulting in zero particle flux. Solving equation (1) for zero particle flux, with $V_{j}=D_{T_{j}}1/L_{T_{j}}+V_{p,j}$ yields $PF_{j}\equiv\left.\frac{R}{L_{n_{j}}}\right|_{\Gamma=0}=-\frac{R\,V_{j}}{D_{j}},$ (2) which is the steady state gradient of zero particle flux for species $j$. This measure quantifies the balance between diffusion and advection, and gives a measure of how “peaked” the local density profile is at steady state. It is therefore referred to as the “peaking factor” and denoted $PF_{j}$. (1(a)) electron particle flux for different density gradients (1(b)) poloidal wavenumber spectra of the electron particle flux, evaluated at the gradient of zero flux Figure 1: Timeseries and spectra of electron particle transport for CBC with D as main ions near to the zero flux gradient ($R/L_{n_{e}}=2.77$); obtained from NL GENE simulations. In order to investigate the transport, nonlinear (NL) GENE simulations were performed from which $PF_{e}$ for the stationary electron profiles were calculated. The results were compared with quasilinear (QL) results, also obtained using GENE. The background peaking factor was found by explicitly seeking the gradient of zero particle flux by calculating the electron flux for several values of the density gradient. A typical set of simulations is displayed in Fig. 1(a), where the time evolution of the electron flux for three density gradients near the gradient of zero particle flux is shown (fluxes are in gyro-Bohm units, with $D_{\text{GB}}=c_{\text{s}}\rho_{\text{s}}^{2}/R$). A second order polynomial $p$ was then fitted to the data closest to the zero flux gradient and then the $PF_{e}$ was found as the appropriate root of $p$. The error for $PF_{e}$ was approximated by finding the corresponding roots of $p\pm\text{max}\left[\sigma_{\Gamma}\right]$, and using the difference between these roots as a measure of the error. In Fig. 1(b) the particle flux spectrum for a NL simulation for CBC near this gradient is shown. The figure illustrates that the total flux is zero due to a balance of inward and outward transport occurring at different wavenumbers. The method for finding $PF_{e}$ from the QL simulations is the same, but here a reduced treatment was used, including only the dominant mode, which is an ITG mode for CBC-like parameters. This was done for a range of values of several key plasma parameters. In the trace impurity limit, i.e. when the fraction of impurities is sufficiently small, the impurity dynamics do not affect the turbulence dynamics. Therefore, when finding the simultaneous peaking factor of the background and impurities, the former can be found first and used in the simulations of the latter without loss of generality. Furthermore, in the trace impurity limit, the transport coefficients of Eq. (1) for trace impurities do not depend on the species’ gradients of density and temperature, meaning that (1) is a linear relation in those gradients. This means that the impurity peaking, as well as the contribution to $PF_{Z}$ from the thermodiffusion ($PF_{T}$) and the convective velocity ($PF_{p}$), can be found from simulations with appropriately chosen gradients using the method outlined in Casson2010 . The peaking factors are calculated for several impurity species, using the reduced QL model. The difference in impurity peaking factors between NL and QL models has been covered in previous work.Nordman2011 ; Skyman2011a ; Skyman2011b ; Skyman2014 The simulations have been performed in a circular equilibrium with aspect ratio $R/a=3$, using kinetic ions, electrons and impurities, except when studying the effects of shaping. Then the Miller equilibrium model was used instead.Miller1998 Impurities were included at trace amounts ($n_{Z}/n_{e}=10^{-6}$), so as not to affect the turbulent dynamics. The impurities mass was assumed to be $A_{Z}=2Z$, where $Z$ is the charge number. The dynamics were further assumed to be electrostatic ($\beta\approx 0$). For the simulation domain, a flux tube with periodic boundary conditions in the perpendicular plane was used. The nonlinear simulations were performed using a $96\times 96\times 32$ grid in the normal, bi-normal, and parallel spatial directions respectively; in the parallel and perpendicular momentum directions, a $48\times 12$ grid was used. For the linear and quasilinear computations, a typical resolution was $12\times 24$ grid points in the parallel and normal directions, with $64\times 12$ grid points in momentum space. The nonlinear simulations were typically run up to $t=300\,R/c_{\text{s}}$ for the experimental geometry scenario, where $R$ is the major radius and $c_{\text{s}}=\sqrt{T_{e}/m_{i}}$. ## III Simultaneous stationary profiles of electrons and impurities First, we examine the dependence of the transport and of $PF_{e}$ on the ion temperature gradient. The result is shown in Fig. 2, where the ion energy transport from NL simulations is displayed, together with electron peaking factors from NL and QL simulations. Though the ion energy transport shows a stiff increase with the driving gradient, only a moderate reduction is seen in the peaking factor. Figure 2: Scaling of $PF_{e}$ and ion heat flux with ion temperature gradient $\nabla T_{i}$. (3(a)) NL and QL scalings of $PF_{e}$ (3(b)) simultaneous QL scalings of $PF_{e}$ and $PF_{Z}$ (3(c)) contributions to $PF_{Z}$ from thermopinch ($PF_{T}$) and pure convection ($PF_{p}$) vs. impurity charge (3(d)) scaling of ITG growthrates ($\gamma$) and real frequencies ($\omega_{r}$), normalised to $c_{\text{s}}/R$ Figure 3: Scaling of background electron peaking, impurity peaking and linear eigenvalues with $T_{i}/T_{e}$. (4(a)) NL and QL scalings of $PF_{e}$ (4(b)) simultaneous QL scalings of $PF_{e}$ and $PF_{Z}$ (4(c)) contributions to $PF_{Z}$ from thermopinch ($PF_{T}$) and pure convection ($PF_{p}$) vs. impurity charge Figure 4: Scaling of background electron and impurity peaking with $\hat{s}$. (5(a)) simultaneous QL scaling of $PF_{e}$ and $PF_{Z}$ (5(b)) contributions to $PF_{Z}$ from thermopinch ($PF_{T}$) and pure convection ($PF_{p}$) vs. impurity charge Figure 5: Scaling of background electron and impurity peaking with $\nu_{ei}$. (6(a)) simultaneous QL scaling of $PF_{e}$ and $PF_{Z}$ (6(b)) contributions to $PF_{Z}$ from thermopinch ($PF_{T}$) and pure convection ($PF_{p}$) vs. impurity charge Figure 6: Scaling of background electron and impurity peaking with $\gamma_{E}$. (7(a)) simultaneous QL scaling of $PF_{e}$ and $PF_{Z}$ (7(b)) contributions to $PF_{Z}$ from thermopinch ($PF_{T}$) and pure convection ($PF_{p}$) vs. impurity charge Figure 7: Scaling of background electron and impurity peaking with $\kappa$. It is worth noting that the steady state peaking found in the simulations is considerably higher than that in the original CBC experiment ($R/L_{n_{e,i}}=2.22$). As is knownAngioni2005 ; Angioni2009b ; Angioni2009c ; Fable2010 , this is due to the neglect of collisions, as they normally are in the CBC. The collisionality for the CBC parameters is $\nu_{ei}\approx 0.05\,c_{\text{s}}/R$, which is of the same order as the growthrates and real frequencies observed, and collisions can be expected to have a notable impact on the transport. When collisions are added, the background peaking factor is indeed lowered to a level consistent with the prescribed background gradient for the CBC, as seen in Fig. 2. The QL peaking factor shows a stronger decrease than its NL counterpart. Below $R/L_{T_{i}}\approx 4.5$, the ITG mode is stable, and the TE mode dominates. In the following, focus is on the collisionless case, but the simulations have been complemented with scalings including collisions. The electron peaking factor is reduced with increasing ion–electron temperature ratio ($T_{i}/T_{e}$) for CBC parameters, as can be seen in Fig. 3(a). As with the temperature gradient, the NL results show only a weak scaling, while the trend is more pronounced for the QL simulations. This may be a result of the QL treatment, which only includes the dominant mode, while the contribution from the subdominant TE mode is non-negligible for low values of $T_{i}/T_{e}$. A more complete QL treatment may give a better agreement.Bourdelle2007 ; Fable2010 In Fig. 3(b), the selfconsistently obtained quasilinear peaking of electrons and impurities (Be ($Z=4$), C ($Z=6$), Ne ($Z=10$), and Ni ($Z=28$)) is shown. Impurities with lower charge numbers ($Z$), as well as the background, show the same dependence on $T_{i}/T_{e}$, with a decrease in the peaking as the ion temperature is increased, and a weaker tendency for smaller wavenumbers. For the impurities with higher $Z$, on the other hand, increased ion temperature leads to slightly more peaked impurity profiles. In Fig. 3(c) it is shown that the effect for the impurities is mainly due to an increase in the relative contribution from the outward thermopinch ($\sim 1/Z$) with increased ion temperature, which affects the low $Z$ impurities more strongly. To first order, the thermopinch is proportional to the real frequency. As seen in Fig. 3(d) it increases with increasing $T_{i}/T_{e}$, which explains its increasing importance for higher ion temperatures. In Fig. 4(a), the scaling with magnetic shear ($\hat{s}$) is studied. The electron peaking shows a strong and near linear dependence on $\hat{s}$. This is similar to the results reported in Ref. Fable2010, and is due to the shear dependence of the curvature pinch. This trend is as strong in both the QL and NL simulations. The effect of shear on the linear eigenvalues is not monotonous, with a destabilisation in the low to medium shear region followed by stabilisation as $\hat{s}$ is increased further. The selfconsistent results are shown in Fig. 4(b). For the impurities, the change in peaking factors due to magnetic shear follows the trend seen for the electrons, and impurities with higher $Z$ are more strongly affected. This is seen in Fig. 4(c) to be due mainly to a stronger inward convective pinch with increasing shear. Next we cover the effect of electron–ion collisions on the peaking factors. Collisionality is known to affect the background by reducing the peaking factor.Angioni2005 ; Angioni2009a ; Angioni2009c ; Fable2010 In Fig. 5(a), the selfconsistent results for a range of collisionalities are shown. The reduction in peaking factors with collisionality is also seen for low $Z$ impurities, while the high-$Z$ impurities show little or no change in peaking due to collisions. The effect on the impurities is mainly due to an increase in the outward thermopinch ($\sim 1/Z$) with increased collisionality (Fig. 5(b)), due to a change of the real frequency. The influence of sheared toroidal flows on the selfconsistent impurity peaking was also studied. Only purely toroidal rotation was considered, included through the $\boldsymbol{E}\times\boldsymbol{B}$ shearing rate, defined as $\gamma_{E}=-\frac{r}{q}\frac{1}{R}\frac{\partial v_{\text{tor}}}{\partial r}$. Hence, we flow shear in the limit where the flow is small, neglecting effects of centrifugal and Coriolis forces. These may, however, be important for heavier impurities.Camenen2009 The results are shown in Fig. 6(a), where it can be seen that impurities are much more strongly affected by the rotation than the electrons, due to the difference in thermal velocity. For large values of $\gamma_{E}$, a strong decrease in impurity peaking is seen. The effect is due to the outward roto-pinch which becomes important for large values of $\gamma_{E}$, as shown in Fig. 6(b). As with the shearing rate, this effect is more pronounced for high-$Z$ impurities, since the thermopinch dominates for low $Z$ values. In ASDEX U roto-diffusion has been found to be a critical ingredient to include in order to reproduce the Boron profiles seen in experiments.Angioni2011 ; Casson2013 Finally, shaping effects were studied using the Miller equilibrium model. The quasi-linear electron peaking factor as well as the self-consistent impurity peaking factors increase with higher elongation $(\kappa)$ as shown in Fig. 7(a). For impurities with low charge number the increase in peaking is mainly due to a larger inward thermopinch while for high-$Z$ impurities it is caused by an increased pure convection, as seen in Fig. 7(b). The dependence of the selfconsistent peaking factors on the safety factor ($q_{0}$) and triangularity ($\delta$) was also studied, and the scalings were found to be very weak. ## IV Isotope effects on the background peaking The CBC prescribes hydrogen ions as the main ions, however, for future fusion power plants, a deuterium/tritium mixture will be used. Due to the difference in mass, it is known that D and T plasmas will behave differently from pure H plasmas. Differences in steady state peaking factors are expected, since both collisions and non-adiabatic electrons can break the gyro-Bohm scaling.Pusztai2011 To get an insight into the effect of the main ion isotope, the scalings for the normal CBC were compared with simulations where D was substituted for H and T. Figure 8: Eigenvalue spectra for CBC parameters (Tab. 1), for H, D and T as main ions, with $k_{\theta}\rho_{\text{s}i}$ and eigenvalues in species units ($c_{\text{s}i}/R$). (9(a)) scaling with collisionality (9(b)) scaling with temperature ratio Figure 9: Scaling of main ion peaking with different parameters for the CBC (Tab. 1), for H, D and T as main ions with $k_{\theta}\rho_{\text{s}i}=0.3$ in species units. Figure 10: Timeseries of D, T and $e$ particle flux for CBC (Tab. 1) with a 50/50 mixture of D and T as main ions. Evaluated at the zero flux gradient for the pure D case ($R/L_{n_{e}}=2.77$). First, we review the known isotope effects on linear eigenvalues. Figure 8 displays the ITG eigenvalues in the collisionless case for H, D, and T in species units. The slight difference in eigenvalues obtained is due to the non-adiabatic electron response into which the mass ratio $\sqrt{m_{i}/m_{e}}$ enters, as discussed in Ref. Pusztai2011, . The QL background peaking versus collisionality is displayed in Fig. 9(a) for $k_{\theta}\rho_{\text{s}i}=0.3$ in species units, corresponding to the peaks in the growthrate spectra. For $\nu_{ei}=0$, a slight difference in $PF$ is observed, with $PF_{\text{T}}>PF_{\text{D}}>PF_{\text{H}}$. This is consistent with the asymmetry in D and T transport reported in Refs. Estrada-Mila2005, ; Nordman2005, . For larger values of the collisionality, however, the order is reversed. Next, the effect of the ion mass on the stationary profile scaling with ion to electron temperature ratio ($T_{i}/T_{e}$) is studied. In Fig. 9(b), the peaking factor is seen to decrease with increasing ion temperature, but in this case the lighter isotopes are more sensitive, showing a stronger decrease with $T_{i}/T_{e}$. The other parameter scalings discussed in section III show only a very weak isotope effect. The scenario with a 50/50 mixture of D and T was also studied, and the simultaneous peaking of D and T calculated. The results were seen to follow the pure D and pure T results closely, albeit with the T profile approximately 10% more peaked than the D profile for all values of the collisionality; see Fig. 9(a). For the scan with $T_{i}/T_{e}$, the self-consistent case gave a larger difference in D and T peaking than the corresponding pure cases, as seen in Fig. 9(b). These results were corroborated by NL simulations using the standard CBC parameters, with the background electron density gradient corresponding to zero flux for the pure D case ($R/L_{n_{e}}=2.77$). The results are shown in Fig. 10. For these parameters, the electron particle flux remained close to zero, while the deuterium flux was postivive and the tritium flux negative, indicating a more peaked steady state D profile, and a less peaked T profile in the mixed scenario. The effect of main ion mass on the stationary profiles discussed here are weak, but may result in a D–T fuel separation in a fusion plasma.Estrada- Mila2005 ## V Conclusions In the present paper electron and impurity particle transport due to Ion Temperature Gradient/Trapped Electron (ITG/TE) mode turbulence was studied using gyrokinetic simulations. A reduced quasilinear (QL) treatment was used together with nonlinear (NL) simulations using the code GENE. Neoclassical contributions to the impurity transport, which may be relevant for high-$Z$ impurities, were neglected. The impurities, with impurity charge in the region $3\leq Z\leq 42$, were included in low concentrations as trace species. The focus was on a selfconsistent treatment of particle transport, where the stationary local profiles of electrons and impurities are calculated simultaneously corresponding to zero particle flux. The zero flux condition is relevant to the core region of tokamaks where the particle sources are absent or small. The parameters were taken from the Cyclone Base Case, corresponding to ITG dominated turbulence with a subdominant TE mode relevant for the core region of tokamaks, and scalings of the stationary profiles with magnetic shear, safety factor, electron-to-ion temperature ratio, collisionality, sheared toroidal rotation, elongation and triangularity were investigated. It was shown that the stationary background density profile was sensitive in scans over magnetic shear, collisionality, elongation, and temperature ratio, for which the simultaneous zero flux electron and impurity profiles are calculated. The selfconsistent treatment mainly tended to enhance these parameter scalings of the impurity profile peaking. For safety factor, sheared toroidal rotation and triangularity on the other hand, the effects on the electron profile were weak and hence a selfconsistent treatment did not add significant new results to the previous investigations in this area. For all considered cases, both the electron profile and the impurity profile were found to be inwardly peaked, with peaking factors $R/L_{n_{Z}}$ typically in the range $1.0$–$4.0$, i.e. substantially below neoclassical expectations. For large sheared toroidal rotation ($\gamma_{E}\gtrsim 0.4$), a flux reversal resulting in outwardly peaked impurity profiles was seen. Furthermore, the electrons were consistently more peaked than the impurities. In addition, a slight asymmetry between hydrogen, deuterium and tritium with respect to profile peaking was obtained. The effect was more pronounced for high collisionality plasmas and large ion to electron temperature ratios. The effect may have consequences for fuel separation in D–T fusion plasmas. ## Acknowledgements This work was funded by a grant from The Swedish Research Council (C0338001). The main simulations were performed on resources provided on the Lindgren222See http://www.pdc.kth.se/resources/computers/lindgren/ for details on Lindgren high performance computer, by the Swedish National Infrastructure for Computing (SNIC) at Paralleldatorcentrum (PDC). The authors would like to thank F Jenko, T Görler, MJ Püschel, D Told, and the rest of the GENE team at IPP–Garching for their valuable support and input. ## References * (1) M. Fröjdh, M. Liljeström, and H. Nordman, Nucl. Fusion 32, 419 (1992). * (2) R. Basu, T. Jessen, V. Naulin, and J. J. Rasmussen, Phys. Plasmas 10, 2696 (2003). * (3) C. Angioni, A. G. Peeters, F. Jenko, and T. Dannert, Phys. Plasmas 12, 112310 (2005). * (4) C. Estrada-Mila, J. Candy, and R. W. Waltz, Phys. Plasmas 12, 022305 (2005). * (5) V. Naulin, Phys. Rev. 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Nordman, and P. Strand, Phys. Plasmas 19, 032313 (2012). * (24) A. Skyman, H. Nordman, and P. Strand, Nucl. Fusion 52, 114015 (2012). * (25) F. J. Casson, R. M. McDermott, C. Angioni, Y. Camenen, R. Dux, E. Fable, R. Fischer, B. Geiger, P. Manas, L. Menchero, G. Tardini, and the ASDEX Upgrade Team, Nucl. Fusion 53, 063026 (2013). * (26) A. Skyman, L. Fazendeiro, D. Tegnered, H. Nordman, J. Anderson, and P. Strand, Nucl. Fusion 54, 013009 (2014). * (27) http://www.ipp.mpg.de/~fsj/gene/. * (28) F. Jenko, W. Dorland, M. Kotschenreuther, and B. N. Rogers, Phys. Plasmas 7, 1904 (2000). * (29) F. Merz, _Gyrokinetic Simulation of Multimode Plasma Turbulence_ , Ph.d. thesis (monography), Westfälischen Wilhelms-Universität Münster (2008). * (30) A. M. Dimits, G. Bateman, M. A. Beer, B. I. Cohen, W. Dorland, G. W. Hammett, C. Kim, J. E. Kinsey, M. Kotschenreuther, A. H. Kritz, L. L. Lao, J. Mandrekas, W. M. Nevins, S. E. Parker, A. J. Redd, D. E. Shu-maker, R. Sydora, and J. Weiland, Phys. Plasmas 7, 969 (2000). * (31) C. Angioni, Y. Camenen, F. J. Casson, E. Fable, R. M. McDermott, A. G. Peeters, and J. E. Rice, Nucl. Fusion 52, 114003 (2012). * (32) F. J. Casson, A. G. Peeters, C. Angioni, Y. Camenen, W. A. Hornsby, A. P. Snodin, and G. Szepesi, Phys. Plasmas 17, 102305 (2010). * (33) R. L. Miller, M. S. Chu, J. M. Greene, Y. R. Lin-Liu, and R. E. Waltz, Phys. Plasmas 5, 973 (1998). * (34) C. Angioni, J. Candy, E. Fable, M. Maslov, A. G. Peeters, R. E. Waltz, and H. Weisen, Phys. Plasmas 16, 060702 (2009). * (35) I. Pusztai, J. Candy, and P. Gohil, Phys. Plasmas 18, 122501 (2011). * (36) H. Nordman, P. Strand, A. Eriksson, and J. Weiland, Plasma Phys. Contr. F. 47, L11 (2005). * (37) See http://www.pdc.kth.se/resources/computers/lindgren/ for details on Lindgren.
arxiv-papers
2014-02-21T14:29:28
2024-09-04T02:49:58.543760
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Andreas Skyman, Hans Nordman, Daniel Tegnered", "submitter": "Andreas Skyman", "url": "https://arxiv.org/abs/1402.5301" }
1402.5382
###### Contents 1. Preface 2. 1\. Historical introduction: I 3. 2\. Some early works on cosmic rays 4. 3\. Historical introduction: II 1. 3.1 On Landé separation factors 2. 3.2 On Field Theory aspects of AMM 3. 3.3 Experimental determinations of the lepton AMM: a brief historical sketch 1. 3.3.1 On the early 1940s experiences 2. 3.3.2 Some previous theoretical issues 3. 3.3.3 Further experimental determinations of the lepton AMM 5. 4\. Towards the first exact measurements of the anomalous magnetic moment of the muon 6. List of some publications of A. Zichichi 7. List of some publications of R.L. Garwin 8. Bibliography ## Preface Most of the work of leading scientists has always been characterized both by an initial theoretical setting and analysis of the given problem under examination and by the related experimental arrangement, and vice versa, taking into account the main Galileian paradigm of scientific knowledge, essentially given by the dialectic and inseparable relationships between experimental bases and theoretical-formal structures from which arise the rational thought. These scientists have always been interested both to theoretical aspects and experimental data, like Jun John Sakuari (1933-1982) as remembered by John S. Bell in (Sakurai 1985, Foreword). On the other hand, just due to its Galileian nature, no history of theoretical physics can be disjoined from experimental context, and vice versa. We have herein tried to adopt a new way of doing history of science: namely, trying to delineate a technical (or internal) history of a certain field of knowledge through the life and the work of those people who have, at international level, significantly and permanently contributed to it, along their life. Amongst them, we shall consider, for example, some of the main works of A. Zichichi and R. Garwin, namely those which have led to the first exact measurements of the anomalous magnetic moment of the muon, one of the first precise test of QED. To be precise, in drawing up this work, we adopt that unique possible historiographical methodology which has to be followed to pursue a correct and objective historic-biographical report of the work of a given author under examination, that is to say, the one consisting in giving primary and absolute priority to the study and to the analysis of the original papers and works of the author under examination (primary literature). Only subsequently it will be then possible also to take into account the related already existent secondary literature. This for trying to minimize, as much as possible, the distortions and mystifications due to the unavoidable personal equation111This concept has its own history which starts from Astronomy to Freudian Psychoanalysis and Jungian Analytical Psychology. Here, we shall mean such a term in the latter wider psychological meaning (see (Galimberti 2006) and (Thomä and Kächele 1990, Vol. 1., Chap. 3, § 3.1)). Following (Carotenuto 1991, Chapter X), the personal equation is an unavoidable subjective factor which influences on the evaluation of objective data, leading to different visions of the phenomenological fields under examination. It is determined by the individual history, by constitutional and typological elements and by social-cultural factors. It acts as a perceptive filter, or rather as an internal transducer, which redefines, according to personal parameters, the reality, shaping the knowledge’s act. For instance, the various mythological deformations and biases are mainly due to its action, so that, as regards historical sciences, we agree with that historiographical method which gives priority to the study of the primary literature of a given author, like her or his works. (biases, complexes, mythicizations, etc) which is implicitly presents in everyone of us. As picturesquely recalled by Vittorio de Alfaro in (De Alfaro 1993, Introduction, p. 3), <<the historical reconstruction is everything except a ’fractal’: indeed, the level of enlargement with which we treat a historical process, greatly shall influence the conclusions that we deduce>>. A similar case is besides also recalled by Bruno Rossi in (Rossi 1964, Preface), in which he warns on the impartiality with which himself has written the history of cosmic rays, since he was directly involved, as a leading actor, in the international research on this field, so that he does not exclude to have given a major load to the work made by his research group. On the other hand, this historiographical methodology is just that advocated by Benedetto Croce himself (see (Croce 1938)) to obtain, through a rational analysis of the sources, an impartial historical judgement devoid of any biased or partial mystification. There are non-negligible historiographical questions about the general history of science, which we wish to outline too as an apology for the method used in carrying on this work; in exposing such a historiographical problematic, we mainly follow (Piattelli Palmarini 1992, Chap. I, §§ 2.I, 2.II and 2.III). Let us say it immediately: such a problematic derives from the far from being trivial questions existing between myth and science, which embed their roots in the crucial historical passage from mythological to philosophical thought. The relationships between myth and science are far from being ancient and negligible: in this regards, it is enough to remember as Wolfgang Pauli himself, after a long period of collaboration with Carl Gustav Jung, put much attention to the possible links and intersections between epistemology and analytical psychology, writing many interesting works on these arguments (see (Jacob 2000), (Tagliagambe and Malinconico 2011) and references therein). The French anthropologist Pierre Smith claims that the myth is always in nuce (that is to say, implicitly) presents in the way in which each of us tells of herself or himself, above all as regards her or him own past, this, in turn, implying unavoidable distortions and mystifications which give rise to a mythic production. In short, the myth is an efficient way to organize and to coordinate the individual and collective memory. The Smith’s schoolmaster, Claude Lévi-Strauss, said that the myth is a story continuously transformed by who believe only of repeating it and to which, instead, he or she gives ”an excess of meaning” whenever it is re-evoked. Also in science there is an organization of collective and individual memory where the mythical element may appear. For instance, Thomas S. Kuhn, collecting a great number of interviews carried out with the founders of modern physics, frequently noticed many inaccuracies and inconsistences as concerns their biographies which resulted to be strangely logical, linear and educationally edifying, but contrasting with the real facts and the original sources; hence, Kuhn finished to conclude that the real history of science is not so perfectly constructed and have not the direct pedagogical function of those a little mythical stories told by handbooks and protagonists. Also Gerald Holton has experienced an emblematic case of the same type: precisely, interviewing in old age, Einstein convinced himself to have developed his special theory of relativity on the basis of the results of the famous Michelson-Morley experiment, building up, in such a manner, a logical motivation to the birth of his theory222Also (Brown and Hoddeson 1983) confirm that ¡¡people cannot be totally objective about the events in which they participate; we tend unconsciously to reinterpret history in terms of present- day values¿¿. But, in doing so, often the historical reality may go lost.. Indeed, such an experiment was yes carried out few years before the Einsteinian publications, but Einstein did not know it when he formulated his ideas. The Einstein reconstruction was logic and educationally efficacy even if historically false; bona fide, he self-convinced himself that the things were just gone so. In these cases, we should consider, according to Claude Lévi-Strauss and François Jacob, the myth as an excess of meaning needed for organizing the memory and for giving a logical and instructive meaning to its contents, often to detriment of the real historical and chronological truth. All this makes particularly difficult to do history of science; it may be included in the wider unavoidable problematic concerning the already mentioned personal equation, which would shed a certain shadow of discredit on the history of science if it weren’t taken into the right account. For these reasons, we think that the more correct historiographical method for carrying out a scientific biography is that consisting at first in analyzing directly the primary related literature, trying to prevent the non-objective deformations given by the effects of this personal equation, almost desiring to aspire to emulate the coldness or indifference of a psychoanalyst which must simply reflect like a clean mirror (see (Thomä and Kächele 1990, Vol. 1., Chap. 3, § 3.1)) with the highest objectivity degree333The psychoanalysts try to attain this by means of the so-called didactic analysis, which is strictly correlated to the dualistic and dialectic interaction between transfer and countertransfer phenomena (see (Thomä and Kächele 1990, Vol. 1., Chap. 3, § 3.1)).. This methodology, moreover, is the only way which permits us to may infer the formation and evolution of the thought of a given author, undergoing his creative process (as in this case), along her or his social-cultural and scientific career. Such a historiographical method resembles, in a certain sense, that already adopted by Francesco Giacomo Tricomi in (Tricomi 1967) from the mathematics history side. On the other hand, all this had already been highlighted by Sir Patrick M. S. Blackett (1897-1974) who remembered to what distortions may lead the above recalled mythical production, by the so- called scientific divulgation, if one does not take the right position respect to the author under examination. The first and the most frequent methodological error made by the historians of science concerns the location of the own Ego, in the sense that often he puts herself or himself as main subject rather than the author under examination. This decentralization of the Ego is a primary epistemological process whose importance has been highlighted by Sigmund Freud himself: indeed, following (Vegetti Finzi 1986, Chap. I, § 2), the scientific knowledge has reached its highest levels in concomitance to real narcissistic wounds, as those occurred with the Copernican revolution, the Darwinism and the Freudian psychoanalysis, each of these having just reappraised the human Ego, self-limiting this. Such a self-limitation of the Ego therefore corresponds to a general criterion of further improvement and completion of knowledge, as highlighted too by Max Planck himself in (Planck 1964) (see also (Straneo 1947, Introduction)). This Ego decentralization also plays a non-trivial role in historiography as regards the position of the historian compared to the object under attention. This fact, for instance, has been emblematically recalled by one of the most important Italian mathematicians of the last century, Bruno Pini444For some brief biobibliographical notes on the life and works of Bruno Pini (1918-2007), see (Cavallucci and Lanconelli 2011) and (Lanconelli 2012)., who had to say that <<sometimes, when one is called to commemorate someone, it goes end up to overly speak of herself or himself>> (see (Lanconelli 2008)); this simple consideration may be extended to the general biographical studies555The opposite case to this is that related to the deifications, like those present in many hagiographies.. This is simply due to the human weakness, scientist or not who he or she be, even turned toward the own egocentric accomplishments (from which it follows, for some respects, the well-known Latin maxim <<tot capita, tot sententiæ>>). Therefore, it turns out clear what methodological importance has the examination of the original scientific production of every author under examination, as we just hope to do in any case herein analyzed, to avoid any possible mystification. Finally, since, according to Chen Ning Yang (see (Yang 1961, Preface)), <<a concept, especially a scientific one, have not full meaning if it is not defined respect to that knowledge context from which it derived and has developed>>, each examined original work or paper of the author under consideration shall be even contextually laid out into the related theoretical framework of the time, so that, where possible, a brief historical recognition should be mentioned as a contextual story meant as follows. In a certain sense, we might say to follow an epistemological path analogous to that outlined by Stephan Hartmann in (Hartmann 1999) where he claims on the importance, above all in hadron physics, to consider a theoretical model as the result of an interpreted formalism plus a story, this last being meant both as a narrative but rigorous told around the formalism of the given model and as a complement of it, hence an integral part of the model; the relationships between formalism and story are then placeable out into the wider class of relationships subsisting between the syntactic and semantic parts of a general physical model which are unavoidable just in Physics. Therefore, our work might be considered as a sort of making a story to certain groups of works of the author under examination in order to get an overall historical view of the subject matter in which her or him worked. For these reasons, it is also indispensable refers us to the general technical- scientific literature to support what said. Only doing so, it will be possible to pursue the highest objectivity degree and historical correctness in descrying the scientific figure of an author, trying to avoid the above mentioned irrationality elements. At the same time, in dependence on the scientific level of the treated author, with this method it shall be possible to outline a history of the related work area. Another confirmation of the validity of the above mentioned work program follows from some epistemological considerations about the foundations of science, due to the modern French school which goes from G. Bachelard, A. Koiré and G. Canguilhem to the structuralists J. Lacan, C. Lévi-Strauss, L. Althusser, M. Foucault, F. Regnault, A. Badiou and F. Wahl. Indeed, following (Cressant 1971, Introduction), the scientific activity should be looked at as a constructive process which pulls out the truth or the essence of the real objects that will constitute the central core upon which building up the corresponding knowledge object, trying to separate ideological questions from the mere scientific contents. Read an arbitrary work just means try to separate the general ideological and philosophical context from the scientific one; it means to analyze the problematic frame within which this work has been conceived, rebuilding up the prime structural causes from which it shall develop. In doing so, a passive and sterile lecture will be replaced by an active and productive re-enact (see (Wahl 1971)), almost analogously to what foreseen both by the Robin Collingwood historicism (see (Kragh 1990) and (Iurato 2013)) and by Wilhelm Dilthey methodological hermeneutics, according to which any written source should be laid out into the proper original historical context, according to the Zeitgeist of the time. Following (Schultz 1969, Chapter I) and (Wertheimer 1979, Chapter 1), the ideology is always an unavoidable judgment component of human being, hence also of every historian, since it is a common perspective to conceive the history as chiefly due to the subjective idiosyncrasies and to the preconceptions which will play the role of selective mental grid of what to consider or not and of how to interpret this. Contrarily to what one could thought, the ideology is also an unavoidable component of the normal scientific context: in this regards, see (Boudon 1991, Chapter VIII). ## 1\. Historical introduction: I Mario Gliozzi, in666The Enciclopedia delle Matematiche Elementari e Complementi has been the most important and notable Italian encyclopedic handbook on mathematical sciences and their applications, reviewed abroad as one of the main encyclopedic work made in this context, as valuably remarked by (Archibald 1950) and (Miller 1932). This article of Mario Gliozzi was the first systematic attempt to outline a brief history of physics. It was later retaken as a first core for drawing up another more extended article published in the 1962 Nicola Abbagnano treatise on the history of science, in turn posthumously enlarged and revised by the sons of Mario Gliozzi, in the new and definitive 2005 edition (Gliozzi 2005), which is one of the most complete textbook on the history of physics. Herein, we have mainly followed (Gliozzi 1949) because of its conciseness which is functional to the aims of this section, referring to (Gliozzi 2005) for a more complete and in-depth view. (Gliozzi 1949, § 30), outlines the main features of the experimental physics through the last 19th Century decades to the 1940s. This was an almost unique period for the history of physics since, from the new results of atomic physics of the 19th Century end, appears, in all its complexity, the new submicroscopic Weltbild to whose knowledge inextricably taken part philosophical, theoretical and experimental physical questions above all characterized by the crucial passage from the classical determinism to the modern probabilism as recalled by (Pignedoli 1968, Chap. I) which gives a clear and synthetic historical summary of this critical epistemological step. Above all, the experimental physics had needed for new methods, techniques and tools to approach and to examine this unexpected world so closed to our direct perceptions, this, in turn, implying the formulation of new theories to explain it at the light of these experimental results which arose from the discovery of cathodic and anodic emissions, channel and X rays, and radioactivity777The spontaneous radioactivity was discovered by H. Becquerel in 1896 under advice of H.J. Poincaré. Indeed, the latter suggested to the former to investigate on the possible relationships between optical fluorescence and X rays, which revealed to be fake, but that led, for serendipity, to the discovery of radioactivity (see (Segrè 1999, Chap. 1)). (see (Born 1976, Chap. 2)). In this regards, in 1897, Charles T.R. Wilson discovered that the ions produced in air by ultraviolet and X rays as well as by radioactive radiations, acted as condensation nuclei of water steam suitably supersaturated by rapid adiabatic expansion. This notable discovery was at the basis of the so-called cloud chamber, one of the first valuable displaying particle detector, first set up at the Cambridge Cavendish Laboratory in 1896 and subsequently improved by Wilson (see (Wilson and Littauer 1965, Chap. 3) and (Yang 1969, Chap. 1)), so that it is often called too Wilson chamber; it will play a fundamental role in experimental atomic physics, even to be said ”an open window on the world” (E. Persico). The particle detectors may be classified into two main categories, namely the displaying detectors and the optical (or electronic) detectors; the first ones comprise the Čerenkov and scintillation counters, the Wilson (or cloud), bubble, spark and photographic emulsion chambers, whereas the second ones include the ionization chamber, the Geiger-Müller, the proportional and solid- state counters (see (Segrè 1999, Chap. 3), (Tolansky 1966, Chap. 17) and (Chiavassa, Ramello and Vercellin 1991, Chap. 2)). Following (Segrè 1999, Chap. 1), after the discovery of electron in 1897, the first atomic models due to J.J. Thomson, E. Rutherford and N.H. Bohr at the beginnings of 20th Century, together with the introduction of quanta by M. Planck and A. Einstein as regards the electromagnetic radiation, led to the formulation of quantum mechanics which succeeded to explain many atomic phenomena. At the same time, after the discovery of atomic nucleus in 1911, the new quantum theories gradually opened the way to nuclear physics with the first $\alpha$ particle bombardment phenomena which led, after the 1919 pioneering Rutherford discovery of the proton, to the definitive 1924-25 experimental ascertainment of such a particle by P.M.S. Blackett, who was a Rutherford’s pupil (see (Gliozzi 1949, § 30, footnote 239)) and (Gamow 1963, Chap. VIII)). Thereafter, on the basis of the previous works made by R.J. Van de Graaff888Nevertheless, the principle of the method upon which relies the running of such machines is quite similar to one already studied by A. Righi at the end of 19th Century (see (Gliozzi 1949, § 30, footnote 241)))., J.D. Cockcroft, E.T.S. Walton, H. Greinacher and R. Wilderöe, in 1933 E.O. Lawrence and S. Livingston built up the first particle accelerator, the so-called cyclotron (see (Wilson and Littauer 1965) and (Segrè 1976, Chap. XI)), based on the resonant acceleration method. Independently of each other, in 1944 the Russian physicist V.I. Veksler proposed a new particle accelerator based on the phase stability method, while in 1945 E.M. MacMillan proposed an analogous particle accelerator which will be called synchrotron. See (Lee 2004) for a complete and masterful updated knowledge on accelerator physics, in which there are also interesting historical notes. Retaking into account some previous experiences made by W. Bethe and H. Becker, the spouses I. Curie and F. Joliot discovered a new particle, already suggested by Rutherford in 1920 and whose exact nature was subsequently experimentally ascertained by J. Chadwick who called it neutron (see (Hughes 1960)); the Curie’s experiences given rise to the first artificial radioactivity phenomena. In the years 1932-1934, a new particle was observed, almost at the same time, by many scientists: amongst them, by I. Curie and F. Joliot in collision phenomena with $\alpha$ particles, by C.D. Anderson in the United States and by P.M.S. Blackett with G. Occhialini in England, in experiences concerning cosmic rays (see (Gliozzi 1949, § 30, footnote 243))), which was called, by C.D. Anderson, positive electron, or positron. Such a particle had already been theoretically provided by P.A.M. Dirac with his elegant 1930s electron theory, which, inter alia, established too the so- called charge conjugation invariance principle; this new particle was experimentally determined having mass almost equal to the electron one but with positive charge. The discovery of positron was a celebrated experimental confirmation of Dirac’s electron theory, which was besides unknown to Anderson but not to Blackett and Occhialini which made their above researches at the Cavendish Laboratory of which Dirac was a member, at that time (see (Rossi 1964, Chap. VI)). In the years 1933-1934, taking into account the previous works of the Curie- Joliot spouses, E. Fermi was the first to use neutrons as collision particles, in place of $\alpha$ particles: indeed, he rightly argued that neutrons were more suitable to this, due to the lack of electrostatic repulsion respect to an atomic nucleus; slow neutrons turned out to be very efficient in breaking the atomic nucleus. Such ingenious intuitions were put in practice in Rome, by E. Amaldi, O. D’Agostino, B. Pontecorvo, F. Rasetti and E. Segrè, where it was carried out the celebrated experiences with slow neutrons (see (Gliozzi 1949, § 30, footnotes 245), 246)) which will lead to the discovery of nuclear fission and to the subsequent chain reactions, all this at the World War II eve (see (Gliozzi 1949, § 30, footnotes 247)-251))). It was the beginning of the nuclear physics with the use and applications of the nuclear energy by E. Fermi in 1942, in this, the Italian school having been leader in the international research framework of the time. In this regards, from a historical viewpoint, it is enough to give a glance to the fundamental works (Wick 1945; 1946) to witness all this, which represented the first treatise on the new neutron physics; this unique two-volume treatise is the most valuable historical source which exposes the ”state of the art” of that time as regards this new chapter of nuclear physics. In the decade 1920s to 1930s, the building of quantum mechanics was achieved, with the elegant and rigorous formulation given by P.A.M. Dirac in his celebrated textbook (Dirac 1958), whose first edition date back to 1930 and that is still the classical and definitive treatise on the subject with its last 1958 fourth edition; in it, the chapters on the new quantum electrodynamics were updated till the results of 1950s. Once discovered the neutron, one of the main problem of the new nuclear physics was to determine the interaction forces among the constituents of the atomic nucleus, that is to say (d’après W. Heisenberg, D. Ivanenko and E. Majorana) protons and neutrons, which have been interpreted as two states of the same particle, called nucleons, having different values of a well-determined numerical parameter called isospin. This last quantum number is related to the formal description of the notion of isotopic (or isobaric) invariance, that was first introduced by W. Heisenberg in 1932, then used by B. Cassen and E.U. Condon in 1936 and by E.P. Wigner in 1937 (see (Landau and Lifšits 1982, Chap. XVI, § 116)) and subsequently applied to the classification of other subnuclear particles, as we will see later. The next twenty years will see the birth of the so-called quantum field theory (QFT), before all with the new quantum electrodynamics999For this fascinating story, see (Schweber 1983; 1994), (De Alfaro 1993) and (Weinberg 1999, Vol. I, Chap. 1). In (Schweber 1983; 1994) there is also an extensive history of quantum field theory of 20th Century, both from an internal and external historical standpoint. (QED), which develops, according to the Galileian scientific method, in close concomitance with the related experimental physics contexts, above all those concerning the radioactive emissions and the cosmic radiation, which will play a fundamental role in developing the nuclear and subnuclear physics; within the theoretical framework given by the incoming QFT, they will flow into the dawning of particle physics. The quantum electrodynamics started with the works of W. Heisenberg, W. Pauli and P.A.M. Dirac, culminating in the Dirac’s radiation theory in which the photons (already experimentally determined by E. Mayer and W. Gerlach in 1914 - see (Born 1976, Chap. 4, § 24)) are the quanta of the electromagnetic field, this theory having been taken as main model for building up any further quantum field theory, like the electronic-positronic field, the nucleonic and the mesonic ones, and so on (see (Fermi 1963, Chap. 1, § 1)). In the decade from 1940s to 1950s, the electromagnetic field has been successfully quantized starting from the Maxwell’s equations, while the electronic-positronic field has been treated starting from the Dirac’s electron theory with a new formal process introduced by E.P. Wigner and W. Pauli in 1928, called second quantization, which is a modification of the previous quantization procedures to account for supervened spin statistic problems. The situation concerning the electronic-positronic and nucleonic fields was instead much more complex (see also (Weinberg 1999, Chap. 1, § 1.2)). For our historical ends, we are more interested towards those aspects of particle physics history regarding both radioactive decays and cosmic rays, which, as already said, have played a very fundamental role in the dawning of particle physics and whose historical paths often have intertwined each other. Indeed, following (Weinberg 1999, Chap. 1, § 1.2), despite significant successes achieved by QFT (in primis, the Dirac’s ones), a certain dissatisfaction held towards it for all the 1930s, above all due to its apparent incapacity to explain many new phenomena coming from the cosmic radiation as well as all the new type of particles contained in it. On the other hand, as regards the various proposed theories explaining the radioactive emissions, above all that regarding the $\beta$ decay to have played a fundamental role both in understanding the nuclear structure and in developing QFT. Following (Persico 1959, Chaps. XI, XII and XIII), (Segrè 1999, Chap. 8), (Castagnoli 1975, Chap. 3, § 3.7), (Tolansky 1966, Chap. XV), (Born 1976, Chap. 7, § 53) and (Friedlander and Kennedy 1965, Chaps. 6 and 7), the theory of $\alpha$ emission was successfully achieved by G. Gamow, R. Gurney and E. Condon in 1928-29, as the first attempt to apply the new quantum theories to nuclear structure, while the development of the theory of $\gamma$ emission was parallel to that of quantum theory of radiation which started with an interpretative theory analogous to the first atomic radiative emissions and continued, through 1920s to 1950s, with the works of E. Rutherford, H. Robinsson, W.F. Rowlison, E.N. Da Costa Andrade, L. Meitner, H.J. Von Baeyer, O. Hahn, C.F. Von Weizsäcker, H.A. Bethe, W. Heitler, O. Klein, Y. Nishina, J.P. Thibaud, E. Feenberg, H. Primakoff, E.P. Wigner, M. Goldhaber, J.M. Blatt, V.F. Weisskopf, E. Wilson, K.T. Bainbrige, A.W. Sunyar, P.B. Moon, R.L. Mössbauer, and others (see (Heitler 1953)). Instead, the $\beta$ emission, in both its $\beta^{-}$ and $\beta^{+}$ components, shown to have particular difficulties to be laid out into a coherent theoretical description, above all in relation to the interpretation of the related continuum electron velocity spectrum which was one of the most serious theoretical nuclear physics problems of the time. The main theoretical problem concerned an apparent non-validity of the energy and spin conservation laws at every elementary emission act, that Bohr attempted to justify invoking a sort of mean validity of it. Nevertheless, in analogy with the case of $\gamma$ emission (which was experimentally excluded to be associated with a $\beta$ emission), E. Fermi proposed an alternative and more valid quantitative interpretation based on the possible contemporaneous emission of a new particle, called neutrino, together the electron involved in each elementary $\beta$ emission act. The neutrino was a particle first theoretically predicted by H. Weyl in 1929 (see (Weyl 1931) and references therein) on the basis of Dirac’s electron theory, but his hypothesis was at once refused since it did not verify the parity symmetry. It however will be reconsidered later in 1957 after the work of T.D. Lee and C.N. Yang on parity violation. Thereafter, in 1930, W. Pauli proposed to consider such a new particle to explain the lack of validity of the above mentioned conservation laws as regards $\beta$ decay, which was later so named by E. Fermi in 1934. It was supposed to have zero mass and spin one-half. The quantitative theory of $\beta$ emission, first proposed by E. Fermi in 1934 and later improved by E.J. Konopinski, H.J. Lipkin, G. Uhlenbeck and H. Yukawa, is a very general one which may be also applied to other type of interactions. Taking into account previous theoretical studies, as already said mainly due to W. Heisenberg, E.U. Condon and E.P. Wigner, this theory assumes proton and neutron as two distinct quantum states of a unique particle, the quantum of the nucleonic field, called nucleon, which can go either into one, or into the other, of these two states just through a $\beta$ decay, emitting one positive/negative electron and one neutrino101010In this historical account, it is no possible to consider the problem of helicity of the neutrino as well as the related questions inherent the existence or not of the antineutrino, the alternative theory of E. Majorana, and so on. See (Fermi 1963, Chap. 1) and (Yang 1969, Chap. 1).. To be precise, we have a $\beta^{-}$ emission in the transformation of a neutron ($n$) into a proton ($p$) according to a decay process of the type $n\rightarrow p+e^{-}+\nu$, with the emission of one (negative) electron ($e^{-}$) and one neutrino ($\nu$); we have a $\beta^{+}$ emission in the transformation of a proton into a neutron according to a decay process of the type $p\rightarrow n+e^{+}+\nu$, with the emission of one positive electron ($e^{+}$) and of one neutrino. Nevertheless, as it will be proved later by L.M. Lederman and co-workers as well as by other workers, there exists another type of neutrino different from the one produced by the above proton and neutron decays (denoted by $\nu_{e}$), namely the neutrino produced by $\mu$ and $\pi$ meson decays (denoted by $\nu_{\mu}$). On this last point, we shall return later. For a certain time, it was supposed that the nuclear forces could be explained through a nucleonic field associated to the pair electron-neutrino (see (Polara 1949, Chap. IV, § 7), (Segrè 1976, Chap. X) and (Weinberg 1999, Chap. 1, § 1.2)) and whose quantum was the neutrino. It was hypothesized that proton and neutron were linked together by means of an exchange of one neutrino, like in case of the ionized molecule $H_{2}^{+}$ where the force between the atom $H$ and the ion $H^{+}$ became attractive at distances of the magnitude of $10^{-15}$ just thanks to a periodic exchange of the unique available electron111111Indeed, the notion of exchange force comes from the quantum theory of chemical bond (see (Slater 1980)). It will be later extended first to nuclear physics thanks to the work of E.P. Wigner (see (Eisenbud and Wigner 1960, Chaps. 5 and 11)), then to the particle physics context.. Nevertheless, in this way it wasn’t possible to account for nucleus stability questions, so that this hypothesis (which had also been considered by E. Fermi in his 1934 theory) had to be rejected. All that, however, will be one of the starting points of the subsequent pioneering 1935 Yukawa’s work (see (Yukawa 1935)). Following (Castelfranchi 1959, Chaps. XX and XXI, §§ 231, 262), the positive electrons $e^{+}$ are emitted only in artificial radioactive decays and were, almost at the same time, discovered in 1932-33, by many researches, independently of each other, amongst whom C.D. Anderson, R.A. Millikan and P.M.S. Blackett with G. Occhialini in experiences with cosmic rays, as well as by I. Curie with F. Joliot, by L. Meitner, C.Y. Chao, H.H. Hupfeld, J.R. Richardson and J. Chadwick in experiments on induced radioactivity. It was later observed, above all by Blackett and Occhialini, that these positive electrons just were the antielectrons expected by the Dirac’s electron theory. At the same time in which it was carried out the above experiences on $\beta$ decay, a prominent role began to have the study of a new type of very high energy radiation, most highly penetrating, that is to say, the cosmic radiation. Between the 1940s and 1950s, the unique available high energy sources were the cosmic rays, until the coming of particle accelerators in the 1950s which allowed more controllable energetic sources. In that period, there was a research competition between experiences made on cosmic rays and those through particle accelerators. Following (Polara 1949, Chap. V), (Castelfranchi 1959, Chap. XXIII), (Rossi 1964), (Tolanski 1966, Chap. 18), (Born 1976, Chap. 2, § 15), (Brown and Hoddeson 1983), (Schlaepfer 2003) and (Carlson and De Angelis 2010), the cosmic radiation was discovered, in the early years of 20th Century, by J. Elster with H. Geitel in German and by C.T.R. Wilson in England, from the observation of a weak residual electrification in perfectly isolated electroscopes. Some year later, E. Rutherford with H. Lester and H.L. Cooke, together to J.C. McLennan and E.F. Burton, showed that 5 cm of lead reduced this mysterious radiation by 30% while an additional 5 tonnes of unrefined lead failed to reduce the radiation further. Such a phenomenon was immediately attributed to a not well identified external strong penetrating radiation, maybe coming from the Earth. Thanks to a new electroscope made by T. Wulf in 1907, it was possible to observe that this external radiation did not decrease with the altitude but, in some cases, even increased, so that it could not come from the Earth as it was later confirmed first by A. Gockel in 1909-10, then both by V. Hess with W. Kolhörster in 1911-14 and by D. Pacini in 1911, the former with a series of experiments made with flight balloons equipped with electroscopes, and the latter121212Very few are the textbooks which quote the Italian physicist Domenico Pacini (1878-1934) as one of the pioneers of cosmic-ray research; amongst them (Castelfranchi 1959, Chap. XXIII) - where, inter alia, it is also possible to find interesting historical notes throughout the text - and (Gliozzi 2005, Chap. 16, Section 16.12). For this historical case, and for a modern general historical revisitation of the cosmic ray story, see (Carlson and De Angelis 2010). by means of deep sea immersions of electroscopes. The World War I interrupted the researches on this strange type of penetrating radiation, then retaken later in 1920s and 1930s with the experiences of A. Millikan, E. Regener, G. Pfotzer, I.S. Bowen, H.V. Neher, H. Tizard, A. Piccard, M. Cosyns, W. Bothe, J. Clay, A. Corlin, D. Hoffmann, D.V. Skobeltzyn, E. Steinke, G.H. Cameron, P.S. Gill, G.L. Locher, E.J. Williams, C.F. Von Weizsäcker, L. Nordheim, J.B. Street, H. Kulenkampff, E.C. Stevenson and others, continued until the 1940s and 1950s pioneering experimental works of T.H. Johnson, L.W. Alvarez, A.H. Compton, C.D. Anderson, D.A. Glaser, S. Neddermeyer, G.E. Roberts, R.E. Marshak, H.A. Bethe, B. Rossi, F. Rasetti, G. Bernardini, S. De Benedetti, C. Størmer, G. Lemaître, M.S. Vallarta, V. Bush, G. Clark, P. Bassi, M. Schein, H.L. Bradt, B. Peters, P.M.S. Blackett, G. Occhialini, C.F. Powell, C.M.G. Lattes, M. Conversi, E. Pancini, O. Piccioni, H. Muirhead, J.F. Carlson, J.R. Oppenheimer, P. Auger, P. Ehrenfest, L. Leprince-Ringuet, S.I. Tomonaga, G. Araki, G.D. Rochester, C.C. Butler and others (see (Brown and Hoddeson 1983, Part III) and (Rossi 1964)). As regards the related experimental techniques employed, the first group of researches were conducted by means of ionization chambers and, above all, Wilson chambers, these last first used by D. Skobeltzyn in 1929, in the version improved by P.M.S. Blackett and under the action of strong magnetic fields. In the second group of researches, instead, besides Wilson chambers, sequential Geiger-Müller counters were also used as well as photographic emulsion chambers in the version improved by C.F. Powell and G. Occhialini on the basis of the previous 1937 works made by M. Blau and H. Wambacher on nuclear emulsions. From the experimental data provided by all these notable works, in particular from the various absorption curves related to this cosmic radiation and related geomagnetic effects, it was possible to identify two secondary components, departing from a primary one, which have different nature according to the results of the azimuthal and latitude effects, both then characterized, but in a different manner, by the so-called east-west asymmetry phenomenon which is closely connected with an asymmetry related to cosmic ray intensity distributions, in turn related to the geometry of the so-called Størmer cones which give the allowed trajectories of cosmic rays under the action of the geomagnetic field. For this, it was identified both a hard component, much penetrating, and a soft component, little penetrating. The terrestrial magnetic field and the atmosphere, constitute two protective layers against the reaching of cosmic rays on the Earth’s surface: once that high energy primary cosmic rays hit terrestrial magnetosphere (involving too the Van Allen belts - see (Rossi 1964, Chap. XIII)) and the upper atmosphere, they interact with the encountered atoms (above all, the nitrogen and oxygen ones), the resulting collisions producing fragment’s stars (that is to say, multiple traces outgoing from a same collision point) and atmospheric showers of many particles, at that time most unknown, according to multiple production processes theorized by W. Heisenberg and G. Wataghin. Theoretical attempts to explain the related phenomenology led to the so-called cascade theory of cosmic showers which was worked out, in 1930s and 1940s, mainly by J.F. Carlson with J.R. Oppenheimer in the United States and by M. Blau, H. Wambacher, L. Jánossy, H.A. Bethe, W. Heitler, J. Hamilton, H. Peng and H.J. Bhabha in Europe, but also with notable contributions by L.D. Landau, I.E. Tamm, V.L. Ginzburg, S.Z. Belenky, H.S. Snyder, R. Serber, W.H. Furry and S.K. Chakrabarty. Thanks to this theory, it was possible to ascertain that the soft component of cosmic radiation was mainly made by high energy electrons and photons, whereas the determination of the particle composition of the hard component was more difficult to achieve; and, at this point, the cosmic radiation and $\beta$ decay research pathways meet. Following (Polara 1949, Chaps. V and VI), (Rossi 1964), (Muirhead 1965, Chap. 1), (Yang 1969, Chap. 2), (Segrè 1976, Chap. XII), (Born 1976, Chap. 2), (Zichichi 1981), (Brown et al., 1989), (Segrè 1999, Part III), (Zichichi 2000, II.1-3a-II.1-4b) and (Gliozzi 2005, Chap. 16, Section 16.12), whilst the (local) cosmic radiation soft component was ascertained to be mainly made by high energy electrons and photons, many perplexities yet held as regards the hard component whose constituents seemed do not belong to the set of elementary particles then known. Indeed, the latter appeared to possess either positive or negative electric charge, while the analysis of experimental data strongly indicated the existence of a particle having mass intermediate between that of the proton and of the electron, and probably in the region of 100-200 electron masses ($m_{e}$). This suspicion was verified by S.H. Neddermeyer with C.D. Anderson and by E.C. Stevenson with J.C. Street, in the years between 1936 and 1938, who photographed quite instable particles with masses estimated (above all by R.B. Brode and co-workers) to be about 200-240 $m_{e}$, stopping in a cloud chamber. These particles were generically called mesotrons by C.D. Anderson or mesons by W. Heisenberg, because of their mass value; it ended then to prevail the second name131313Following (Gamow 1966, Chap. VIII), the name mesotron was discarded because, under advise of Heisenberg father, a professor of classical language, the right etymology of the term was inclined towards the term meson.. As said above, notwithstanding many difficulties subsisted in the research field devoted to cosmic radiation, the tenacity of researchers led to the conclusion that this type of radiation (namely, the hard one) was formed by new particles both positively and negatively charged with mass intermediate between the electron and proton ones. Nevertheless, these authors did not know the 1935 Yukawa work and what there was predicted141414The discovery of the meson, as well as that of the positron, has been preceded by theoretical forecasts respectively due to H. Yukawa in the first case, and to P.A.M. Dirac in the second one., mainly due to the fact that it was published in a journal not widely known outside Japan (see (Kragh 2002, Chap. 13)). In such a paper, starting from the Heisenberg work on nuclear structure and from the Fermi theory on $\beta$ decay, Yukawa supposed that proton and neutron could interact through a quantized field (the mesonic one) of which, in analogy with the electromagnetic case, he computed too the main physical properties of the related quantum. Yukawa made a further suggestion about the properties of his hypothetical particle: indeed, in order to simultaneously account for nuclear $\beta$ decay and for the fact that the meson had not been observed (at that time), he suggested that it decayed spontaneously into one electron and one neutrino in a time which was estimated to be about $10^{-7}$ sec. In 1938, with some first experiences made by H. Kuhlenkampff, the question related to meson decay was one of the most debated of the period between the 1930s and the 1940s, which had, as main protagonists, W. Heisenberg, P.M.S. Blackett, H. Euler, A.H. Compton, B. Rossi, D.B. Hall, N. Hilberry, J.B. Hoag, W.M. Nielsen, H.V. Neher, M.A. Pomerantz, G. Bernardini, G. Cocconi, O. Piccioni, M. Conversi and others. An apparent verification of this property was obtained by E.J. Williams and G.E. Roberts in 1940, observing a $\beta$ decay of a particle of mass about 250 $m_{e}$ into a cloud chamber. In this period, attempts to identify the generic meson observed in the cosmic radiation by C.D. Anderson and co-workers, with the Yukawa’s particle were done, notwithstanding that will reveal out to be false151515The occurred mistaken particle’s identifications will be mainly due to the experimental difficulties to identify the related spin values which are the only ones that allow to discern between particles having equal mass and charge values (see (Villi et al. 1971, Introduction)).. Furthermore, an apparent experimental evidence for such an identification was provided by the measurements of the meson lifetimes by F. Rasetti in 1941 and by many others, amongst whom B. Rossi, N.G. Nereson, K.I. Greiser, R. Chaminade, A. Freon and R. Maze. At the same time, the comparison of the Yukawa nucleonic theory with the cosmic radiation one (mainly due to J.R. Oppenheimer and J.F. Carlson) in the light of the obtained experimental data, above all those made by M. Conversi, E. Pancini and O. Piccioni in Italy in the years 1943-1945 and by R. Chaminade, A. Freon and R. Maze in France in 1945, led R.E. Marshak and H.A. Bethe to suggest in 1947 the possible existence of two different types of mesons, also on the wake of what previously envisaged by E. Fermi, E. Teller and V.F. Weisskopf. Nevertheless, due to the World War II circumstances, the Japanese physicists worked in an almost full isolation and most of their researches of that time were recognized only later. Indeed, S.I. Tomonaga, Y. Tanikawa, S. Sakata and T. Inoue, already in 1943 had proposed the hypothesis of the possible existence of two different types of meson. The main conclusion of the above mentioned experiences was that the negative and positive mesons differently interacted with matter: in fact, measuring the related capture rates $\lambda_{c}$, the positive ones decayed as they were more or less free, whereas the negative ones were attracted by the nuclei, reacting in a strong manner with heavy nuclei and in a weak manner with the light ones, and this wasn’t what predicted by S.I. Tomonaga and G. Araki in 1940 on the basis of Yukawa’s theory. The clarification of such a question came from the technological developments which have even been historically connected with the scientific progress of ideas. Indeed, starting from the previous experimental techniques due to S. Kinoshita and C. Waller, it was set up new nuclear emulsion detectors in 1940s by the Bristol group made by C.F. Powell, G. Occhialini, C.M.G. Lattes and H. Muirhead, thanks to which it was possible to effectively identify two types of mesons. This conclusion was further confirmed, in 1948, by other experiments run both by the above Bristol group with also Y. Goldschmidt-Clermont, D.T. King and D.M. Ritson, and, at Berkeley, by E. Gardner and C.M.G. Lattes with a particle accelerator. These two types of mesons, detected by the above fundamental experiences, led to identify two first classes of mesons: in one, it was included those mesons at first called primary mesons, then meson $\mu$ or muon; in the other, it was included lighter mesons at first called secondary mesons, then meson $\pi$, or pion. In the former falls the meson foreseen by C.D. Anderson with S.D. Neddermeyer and detected by one of the celebrated Conversi-Pancini-Piccioni experiences, while in the latter it should fall the Yukawa’s one. Thus, the $\pi$ meson provided the glue for nuclear forces and undergone to the following main decay-chain-reaction $\pi\rightarrow\mu\rightarrow e$ where the first decay scheme $\pi\rightarrow\mu+\nu_{\mu}$ was first studied, in 1948, by U. Camerini, H. Muirhead, C.F. Powell and D.M. Ritson as well as by J.R. Richardson. Then, the various experiences performed on negative and positive counterparts of cosmic rays led to the conclusion according to which both these two types of meson may be either positively or negatively charged, denoted by $\mu^{\pm}$ and $\pi^{\pm}$, the Yukawa’s one being of the type $\pi^{-}$. The $\pi$ meson significatively and strongly interacts with atomic nuclei, contrarily to the $\mu$ meson which is mainly subjected to weak interactions; the former has mass about 270-300 $m_{e}$ while the latter has mass about 200-210 $m_{e}$. The $\pi$ mesons decay in $\mu$ mesons and these, in turn, decay in electrons, by means of reactions of the type $\pi^{+}\rightarrow\mu^{+}+\nu_{\mu},\ \pi^{-}\rightarrow e^{-}+\bar{\nu}_{\mu},\ \mu^{+}\rightarrow e^{+}+\nu_{\mu}+\bar{\nu}_{\mu},\ \mu^{-}\rightarrow e^{-}+\nu_{\mu}+\bar{\nu}_{\mu}$ where $\nu_{\mu}$ denotes the neutrino and $\bar{\nu}_{\mu}$ the related antineutrino. As said above, the neutrino $\nu_{e}$ was determined to be different from the neutrino $\nu_{\mu}$ by experiences made by G. Danby, J.M. Gaillard, K. Goulianos, L.M. Lederman, N. Minstry, M. Schwartz and J. Steinberger in 1962 at Brookhaven. Nevertheless, the possible existence of two different types of neutrino was first theoretically proposed by G. Puppi in 1948 in studying the universality of Fermi weak interactions (Puppi triangle) on the basis of decay processes involving $\mu$ and $\pi$ mesons: indeed, following (Hughes and Wu 1977, Vol. I, Chapter I), the most important contribution resulting from the study of the muon so far, was probably the revelation of the close relationships between muon decay, muon capture and nuclear beta decay, just known as the three sides of the Puppi triangle. Moreover, further experiences made by F. Reines and C.L. Cowan Jr. in 1959, by M.G. Inghram and J.H. Reynolds in 1950, by C.S. Wu in 1960 and by G. Bernardini161616See (Zichichi 2008) for brief recalls on the work of Gilberto Bernardini. and co-workers in 1964, showed that $\nu_{e}\neq\bar{\nu}_{e},\nu_{\mu}\neq\bar{\nu}_{\mu},\nu_{e}\neq\nu_{\mu}$. Afterwards, to explain the experimental evidence for the charge independence of nuclear forces as well as to account for the soft component in cosmic radiation, independently of each other, N. Kemmer in 1938, H. Tamaki in 1942 and H.W. Lewis, J.R. Oppenheimer with S.A. Wouthuysen in 1947, pointed out that in addition to Yukawa’s charged meson, a neutral meson had to exist, whose experimental evidence was obtained in the years 1950-1951 by A.G. Carlson, J.E. Hooper and D.T. King, by R. Bjorkland, W.E. Crandall, B.J. Moyer and H.F. York and by W.K.H. Panofsky, R.L. Aamodt, H.F. York and J. Hadley. Such a meson, denoted by $\pi^{0}$, decays according to a law of the type $\pi^{0}\rightarrow\gamma+\gamma$, being $\gamma$ a photon. The $\mu$ and $\pi$ mesons will be generically called too L mesons. At this point, it was generally felt that the neutral pion discovery marked the end of particle searches, whereas the decay $\pi^{0}\rightarrow\gamma+\gamma$ marked instead the opening of new horizons in subnuclear and theoretical physics: for instance, on the basis of this decay process, J. Schwinger formulated the so- called partial conservation of the axial current (PCAC) hypothesis in quantum electrodynamics and quantum chromodynamics, opening new fruitful chapters in current algebra theory. Indeed, studying in-depth the nuclear interactions of the particles of cosmic rays, it was possible to discover other elementary particles. As said above, the $\mu$ mesons weakly interact with matter whereas the $\pi$ mesons are nucleary active particles together other ones which were discovered at high altitudes in many mountain laboratories located in different world areas, amongst which those at Aiguille du Midi in the French Pyrenees (Chamonix), at Testa Grigia and Plateau Rosa in the Italian Alps, at Chacaltaya in the Bolivian Andes, at Mount Evans in Colorado, at Jungfraujoch in the Bernese Alps, and so on. Thanks to nuclear emulsion techniques set up by the Bristol group headed by C.F. Powell and by further experiences made by R.H. Brown, U. Camerini, P.H. Fowler, H. Muirhead, C.F. Powell and D.M. Ritson, in the years 1947-1950 new particles having mass intermediate between the $\pi$ meson mass and the proton one, were detected. They observed the decay of a charged particle into three charged mesons, one of these appearing to be a $\pi$-particle. The parent particle was called a $\tau$ meson and its mass was estimated to be about 1000 $m_{e}$, the first heavy meson. So, these researchers identified two classes of new heavy unstable particles, that of heavy mesons (lighter than the protons and heavier than the $\pi$ mesons) and that of hyperons (heavier than the protons), which may be electrically charged or neutral and never isolated. The heavy mesons were also generically called K mesons or kaons, while the hyperons were also generically called Y mesons, so that a new hierarchy of mesons had to present. It was also customary to indicate the nature and number of the decay products by subscripts; thus, for example, the $\tau$ meson was also called a $K_{\pi 3}$ due to one of its decay schemes $\tau^{+}\rightarrow\pi^{+}+\pi^{+}+\pi^{-}$. In the 1950s, besides the usual experimental research on cosmic radiation, with the advent of particle accelerators new experiences begun too, in such a manner that new particles were discovered and considerable further researches were accomplished to classify these new particles according to masses, lifetimes and decay schemes. All this represented one of the most important period of the physics of 1950s. The first heavy mesons and hyperons were observed by L. Jánossy in the years 1943-1946 at Dublin and by G.D. Rochester and C.C. Butler in 1947 at Manchester. At first, such new particles were variously called k particles or $V$ particles, due to the V-shaped tracks leaved by the non-neutral decay particles observed into cloud chambers. Amongst these, there were those particles which will be later called $K^{0},\Lambda^{0}$, $\tau$ and $\theta$ particles, these last two could be either neutral or electrically charged. As recalled above, the Bristol group, headed by C.F. Powell, detected in 1949 the first positively charged heavy meson, at first called $\tau^{+}$ meson, then $K^{+}$ meson, that undergo different decay processes, amongst which $K^{+}\rightarrow\pi^{+}+\pi^{0}$, whose experimental evidences were obtained, in the years 1951-1954, by C. O’Ceallaigh, by the Paris group of B.P. Gregory, A. Laggarigue, L. Leprince-Ringuet, F. Muller and Ch. Peyrou, by J. Crussard, M.F. Kaplon, J. Klarmann and J.H. Noon and by A.L. Hodson, J. Ballam, W.H. Arnold, D.R. Harris, R.R. Rau, G.T. Reynolds and S.B. Treiman. Further researches made in cloud chambers with magnetic fields will show that both $K^{+}$ and $K^{-}$ mesons exist. Then, the neutral heavy meson, at first called $\theta^{0}$ particle, then $K^{0}$ particle, was first observed by C. O’Ceallaigh in 1950. At the same time, R. Armenteros, K.H. Barker, C.C. Butler and A. Cachon as well as L.M. Lederman K. Lande, E.T. Booth, J. Impeduglia and W. Chinowsky in 1956, were able to show that at least two types of neutral particles existed, one is the $\Lambda^{0}$ hyperon decaying according to the scheme $\Lambda^{0}\rightarrow p+\pi^{-}$, and the other probably decayed as follows $\theta^{0}\rightarrow\pi^{+}+\pi^{-}$. At that time, the Bristol research group discovered two heavy mesons, called $\tau$ and $\theta$ mesons, which initially seemed to be the same particle because they had same mass and mean lifetime, but underwent distinct decay processes and had different parity, so that, in the years 1953-1956, d’après R.H. Dalitz, it spoke of a $\theta-\tau$ puzzle. The analysis of further experimental data led T.D. Lee and C.N. Yang to assume in 1956 a parity violation of weak interactions, thanks to which it was possible to establish that $\tau$ and $\theta$ mesons are the same particle, thereafter called K particle. The discovery of the breaking of the symmetry operators parity (P) and charge (C) received first experimental evidence by C.S. Wu, E. Ambler, R.W. Hayward and D.D. Hoppes in 1957. Subsequent 1957 works made by R. Garwin, L. Lederman and M. Weinrich and by J.J. Friedman and V.L. Telegdi, showed further evidence for a non- conservation of parity and charge in the decay of kaons and hyperons, attaining a deeper theoretical knowledge on the C, P and T invariance properties. Subsequently, many decay modes for kaons were found even if, at first, it was not realised that they represented alternative decay modes of the same particle. Then, other types of hyperons were also found in cosmic radiation: amongst these, C.M. York, R.B. Leighton and E.K. Bjornerund, in 1952, were able to experimentally ascertain a new type of hyperon, called $\Sigma^{+}$ particle, which decays according to a reaction of the type $\Sigma^{+}\rightarrow n+\pi^{0}$. A further confirmation of the existence of $\Sigma$-hyperons was obtained by A. Bonetti, R. Levi-Setti, M. Panetti and G. Tomasini in 1953, who also identified the alternative decay mode $\Sigma^{+}\rightarrow n+\pi^{+}$, while the negative counterpart $\Sigma^{-}$ was observed by W.B. Fowler, R.P. Shutt, A.M. Thorndike and W.L. Whittemore at Brookhaven in 1954. Another hyperon of mass $\sim 2600m_{e}$, called $\Xi^{-}$ meson, was detected by E.W. Cowan in 1954, which decays according to the scheme $\Xi^{-}\rightarrow\Lambda^{0}+\pi^{-}$. The neutral $\Xi^{0}$ and $\Sigma^{0}$ hyperons were then experimentally revealed by L.W. Alvarez, P. Eberhard, M.L. Good, W. Graziano, H.K. Ticho and S.G. Wojcicki in 1959, only after having been theoretically predicted as follows. This was the situation around middle of 1950s, where the emphasis shifted from work using cosmic radiations to work on large accelerators. The attention was also focused on the classification of the various particles so far discovered according to their masses, lifetimes and decay schemes. It was observed that the various kaons and hyperons discovered in the 1950s (above all the $\Lambda^{0}$), had a strange behavior respect to their decay and production processes, so that they were given the collective appellation of strange particles. Namely, following (Yang 1961, Chapter III) and (Muirhead 1965, Chapter 1, Section 1.4), it was experimentally found that these strange particles have production times of about $10^{-23}$ sec and decay times of about $10^{-10}$ sec, so that the forces involved in their production processes were stronger than those present in the decay ones; furthermore, this strange fact did not occur when such particles were isolated, in which only weak interactions taken place. To explain this incompatibility between experimental data and theoretical framework, A. Pais proposed in 1952 the hypothesis of associated production according to which the decay and production processes are not inverses of each other, but rather they differ for the presence of another (associated) particle, or rather, at least two strange particles should be involved in the production process in order that a strong interaction could occur, whilst a weak interaction occurs if only one strange particle is presents, as in the decay process. The Pais hypothesis received experimental confirmation with the 1953-55 works of W.B. Fowler, R.P. Shutt, A.M. Thorndike and W.L. Whittemore. At this point, it is necessary to reconsider the above mentioned notion of isospin and related conservation law. Following (Muihread 1965, Chapter 1, Sections 1.3 and 1.4), the concept of conservation of isotopic spin (isospin) is associated with the experimental evidence for the principle of charge independence of nuclear forces according to which, at identical energies, the forces between any of the pairs of nucleons n-n, n-p and p-p, depend only on the total angular momentum and parity of the pair and not upon their charge state. So, B. Cassen and E.U. Condon, in 1936, showed that the principle of charge independence could be elegantly expressed by the isospin concept. The isospin of a system is formally similar to angular momentum but is linked to the charge states of the system. If a group of nuclei or particles exist in n charge multiplets, then the isospin number T for this group is given by $2T+1=n$. The charge state of a particle or nucleus in the multiplet is related to the third (along the z axis) component of an isospin operator via the relations $Z={Q}/{e}=(T_{3}+\frac{1}{2}A)$ for nucleons and nuclei, and $Q/e=T_{3}$ for pions, where $Z$ is the atomic number, $Q$ the total charge (hypercharge) and $A$ the atomic weight of the system. For instance, if $\chi_{p}$ and $\chi_{n}$ denote the isospin functions for the proton and the neutron respectively, then $T_{3}$ has eigenvalues $1/2$ and $-1/2$ respectively, that is to say $T_{3}\chi_{p}=(1/2)\chi_{p}$ and $T_{3}\chi_{n}=-(1/2)\chi_{n}$. The isospin quantum numbers were assigned to the strange particles produced, independently by M. Gell-Mann and by T. Nakano and K. Nishijima, in the years between 1952 and 1956. In regards to a cluster of elementary particles, they observed invariance properties when the charge center of the multiplet of strange particles was displaced respect to the center of the multiplet of non- strange particles. Furthermore, they considered a scheme assuming that the conservation laws for $T$ and $T_{3}$ were conserved or broken in dependence on the given interaction: to be precise, $T$ and $T_{3}$ were conserved in strong interactions, $T$ was broken whilst $T_{3}$ was conserved for electromagnetic interactions and, finally, $T$ and $T_{3}$ were broken in weak interactions. The satisfactory nature of Gell-Mann, Nakano and Nishijima scheme lays in the fact that it predicted the existence of two new elementary particles which were later experimentally found. Later, again following (Muirhead 1965, Chapter 1, Section 1.4), it was pointed out by Gell-Mann and Nishijima, independently of each other in the years 1955-56, that a more elegant classification of the strongly interacting particles than that based on isospin alone, could be made if a new parameter $S$, called the strangeness number, was introduced and defined by the relation $Q/e=T_{3}+(B+S)/2$ where $B$ is the baryon number; baryon is a generic name for nucleons and hyperons. Such a relation shows that the associated production phenomena and the isospin symmetry are related together. As it has been said above, the success of the Gell-Mann, Nakano and Nishijima scheme lies in the fact that it predicted, on the basis of isospin and strangeness conservation laws, various charge multiplets; in particular, new particles were predicted like the $\Sigma^{0}$, $\Xi^{0}$, $K^{+}$, $K^{-}$ and related antiparticles. All these theoretical assumptions received experimental confirmation by the works of Y. Nambu, K. Nishilima, Y. Yamaguchi and W.B. Fowler in the years 1953-1955, as well as many of the above predicted particles (besides the $\Xi^{0}$ and $\Sigma^{0}$ above remembered) were detected by W.B. Fowler, R.P. Shutt, A.M. Thorndike, W.L. Whittemore and W.D. Walker, in the years 1955-1959. However, the elegant semi-empirical classification scheme of Gell-Mann, Nakano and Nishijima, envisaged the existence of many other new particles which will be later discovered, whose static and dynamic properties will be of fundamental importance for the subsequent 1960s theoretical work of M. Gell-Mann and Y. Ne’eman (eihgtfold way). In conclusion, following171717Such a leading textbook has been one of main references herein followed. (Muirhead 1965, Chapter 1, Section 1.5), the discoveries of new particles have occurred sometimes as a result of theoretical insights and sometimes by accident, the most strange particle falling into the latter category: from what has been said above, at this stage, we have that the weak interactions are associated with electrons, muons and neutrinos $(e,\mu,\nu)$, collectively called leptons (which are not subject to strong interactions) and with certain decay processes for mesons and hyperons; the nucleons and hyperons $(n,p,\Lambda,\Sigma,\Xi)$ are then collectively called baryons. Following (Roman 1960, Introduction), the particles recalled so far may be also classified into two classes according to their spin values, identifying a first class in which fall particles with integer spin $(\gamma,\pi,K)$, said to be bosons, and a second one in which fall particles with half-integer spin $(\nu,e,\mu,p,n,\Lambda,\Sigma,\Xi)$ said to be fermions. The fermions again fall into two rather distinct groups, namely leptons and baryons. Apart from the photons, the bosons fall too into two groups: the lighter $\pi$-mesons (or pions) and the heavier $K$-mesons (or kaons). Thus, our classification scheme is tentatively Photon-Leptons-Pions- Kaons-Baryons, and represents one of the main achievement of the physics in the decade 1950-1960. ## 2\. Some early works on cosmic rays In this section, according to what has been said in the Preface, in delineating some early works on cosmic rays we consider the first research papers of A. Zichichi and co-workers, dating back to 1950s, which concerned physics of $K$ mesons, with particular attention to the experimental context. To be precise, as a research fellow at CERN of Geneva, he joined the heavy meson decay research group which, in turn, belonged to the wider investigation activity on cosmic rays, according to the research program policy of that period of this worldwide renowned research institution. The first papers of Zichichi on cosmic rays mainly concern with the various properties of strange particles. As said in the previous section 1, in that period there were still many unsolved questions concerning the so-called strange or $V$ particles. In 1., it is just discussed, together the related experimental arrangements, certain peculiar features showed by only two out of twenty events observed into a cloud chamber located at Testa Grigia laboratories (3,500 m.a.s.l.) in which about 150 $V^{0}$-particles related to decay of a single charged unstable fragment (like an unstable hydrogen isotope, or an excited deuteron or triton) have been found. From a deep phenomenology analysis of the experimental data and taking into account the already existent related literature, it emerged that, very likely, one of these two observed peculiar events, say the Event I, could be due to a certain $\Lambda^{0}$-decay of an unstable hydrogen isotope rather than a nuclear interaction (which perhaps has would been quite unusual), whereas, instead, the second one, say the Event II, led to the conclusion according to which, under certain further hypotheses, it could be a $\tau$-decay, even supposing that it is not a nuclear interaction. The second work 2. is a contribution to the experimental evidence for the existence of the neutral $\tau^{0}$-meson which had been predicted but not established. To be precise, it is reported and discussed the result of an experiment made at Jungfraujoch Research Station and consisting of four tracks originating at a point in the cloud chamber gas which may be interpreted either as the radiative decay of a $\theta^{0}$-meson or as the decay of a $\tau^{0}$-meson. Two out of these are tracks of positive and negative electrons electrons, while the other two are tracks of fast particles resembling a typical $V$-event which is most readily explained as the decay of a neutral $\tau$-meson, rather than a $\theta^{0}$-meson, with the subsequent decay of the secondary $\pi^{0}$-meson into an electron pair and a $\gamma$-ray, which may be respectively written as $\tau^{0}\rightarrow\pi^{+}+\pi^{-}+\pi^{0}$ and $\pi^{0}\rightarrow e^{+}+e^{-}+\gamma$. After having discussed on the various possibilities, this four-pronged event is deemed to be geometrically associated with a small nuclear interaction with, in turn, can be interpreted, on the basis of the experimental data, as a charge exchange reaction of the type $K^{+}+n\rightarrow\tau^{0}+p$, albeit it is also not excluded a possible double production according to the scheme $\pi^{+}+n\rightarrow\tau^{0}+\Sigma^{+}$ in which, in turn, the $\Sigma^{+}$-particle decays into one proton and one yet undetected $\pi^{0}$-meson. Taking into account the previous work 2. discussed above, the work 3. mainly shows some results coming from certain emulsion experiments which provide the first two remarkable examples of $K$-meson pairs of the type $(K^{0},\bar{K}^{0})$ and $(K^{+},\bar{K}^{0})$, produced in elementary neutron-proton interactions whose production reactions respectively are $n+p\rightarrow K^{0}+\bar{K}^{0}+n+p$ and $n+p\rightarrow K^{+}+\bar{K}^{0}+n+n$; these allowed to extend the knowledge on the phenomenology of heavy mesons, to further confirmation of some of the various hypotheses suggested by M. Gell-Mann and A. Pais in the years 1952-54 about associated productions, in particular, the prediction according to which the $K^{0}$-mesons should exist in two states as particle and antiparticle with $S=+1$ and $S=-1$. To be precise, from a systematic study of the associated production of heavy mesons and hyperons in a cosmic-ray cloud chamber, in 3. examples of very simple nuclear interactions giving rise to pairs of $K$-mesons have been found. The importance of these observations is that they provide experimental evidence to support the theoretical prediction that $K^{0}$-mesons should exist in two states with opposite strangeness $S=+1$ and $S=-1$, that is to say, these events are evidence that $K^{0}$-mesons with both positive and negative strangeness exist. In relation to the well-known $\theta-\tau$ puzzle, the authors also argued on the possible identification or not of the produced $K^{0}$-mesons with the $\theta^{0}$-particles, but the experimental measurements weren’t of great usefulness for this. The work 4. is a brief research note in which it is determined, on the basis of previous works made by J.A. Newth and M.S. Bartlett, the mean lifetime estimates of the two decaying particles $\Lambda_{0}$ and $\theta_{0}$, isolated amongst 115 $V^{0}$-events observed in a multi-plate cloud chamber triggered for penetrating showers, and respectively interested to the following main decay reactions $\Lambda^{0}\rightarrow p+\pi^{-}+37$ MeV and $\theta^{0}\rightarrow\pi^{+}+\pi^{-}+214$ MeV. Moreover, neglecting the existence of other types of unstable neutral particles with a two-body decay, it has been possible to classify the above 115 $V^{0}$-particles. The paper 5. is a research report, presented at CERN Scientific Policy Committee on 21 October 1957, after the CERN research activity on cosmic rays taken the decision to stop the so-called Geneva experiment on $K$-meson decays, whose related motivations were exposed in the subsequent CERN report No. CERN/SPC/52 (B). In 5., the director-general of the Jungfraujoch Research Station in detail proposed a new experimental apparatus specifically designed to prosecute the research activity on high energy interactions with a mountain experiment based on the nuclear interaction of protons at energies in the neighborhood of 100 GeV, through a large magnet cloud chamber. The novel feature of this apparatus was a magnetic spectrometer which measured the momenta of the primary particles. One of the main aims of this experiment was also that to fathom new directions on particle physics as, for instance, the search for new unstable strange particles having very short lifetimes. As it has been said in section 1, in 1950s gradually started to run the first particle accelerators of synchrotron type which will be intended to replace the cosmic-ray researches. But this conclusion did not yet apply to the study of the production processes of strange particles. Now, the results described in the work 6. come from an experiment designed to study the production of strange particles in materials of low and high atomic weight, precisely carbon and copper consecutively used, through the interaction of energetic secondaries, sprung out by nuclear interactions in passing through the targets (of carbon and copper), which produce 79 neutral $V$-particles. The division of all the $V^{0}$-events into $\Lambda^{0}$\- and $\theta^{0}$\- decays was made in order to determine their lifetime estimates. If one denotes with $N(\Lambda^{0})$ and $N(\theta^{0})$ the numbers of $\Lambda^{0}$\- and $\theta^{0}$-mesons so produced, then a significant difference between the values of the ratio $N(\Lambda^{0}):N(\theta^{0})$ for their production in carbon and copper has been found; this asymmetry’s fact occurred in the decay of the $\Lambda^{0}$ particles respect to the short-lived $\theta^{0}$ ones, was also explained by H. Blumenfeld, E.T. Booth, L.M. Ledermann and W. Chinowsky, who conducted similar experiences in 1956 with carbon and lead, reaching to almost equal results, through the associated production of pairs of $K$-mesons through which it is possible to increase the number of $\Lambda^{0}$ particles so slowly produced, with also non-conservation of strangeness. Thus, the results achieved in 6. as well as by Blumenfeld and co- workers, may be taken as further evidence for the great importance of the pair production of $K$-mesons in cosmic-ray experiments. The decay asymmetry detected in the previous work 6. will be deeper studied in the next work 7. where many other properties of $\Lambda^{0}$\- and $\theta^{0}$\- particles, like for example spin, mean lifetime, behavior with respect to inversion operators and anisotropy effects on geometrical distributions, have carried out on 107 $\Lambda^{0}$ and $\theta^{0}$ particles produced in iron plates of a multiple cloud chamber exposed to cosmic radiation at an altitude of 3,500 m.a.s.l. Likewise, the work 8. reports the first results of an experimental study of the nuclear interaction of cosmic rays (mainly of the type proton-proton) with a magnet cloud chamber based at an altitude of 3,500 m.a.s.l. and operating at energy of about 100 GeV, showing that such a type of nuclear interaction study is feasible. ## 3\. Historical introduction: II In this section, we recall the main events and facts of that historical path which goes from the introduction of the spin to the notion of anomalous magnetic moment, with particular attention to the leptonic case. The necessarily limited historical framework so outlined in this section, covers a temporal period which roughly goes up from early 1920s to 1960s. ### 3.1 On Landé separation factors Following (Muirhead 1965, Chapter 2) and (Tomonaga 1997), when a fundamental interaction is taken into account then the experimental determination of the basic particle data, like masses, lifetimes, spins and magnetic moments, is necessarily required. The most accurately known properties of the particles are those which can be associated with their magnetic moments. Magnetic properties of elementary particles have been and yet are of paramount importance both to theoretical and experimental high energy physics. One of the main intrinsic properties of the elementary particles is the spin, which can be inferred from the conservation laws for angular momentum. Following (Landau 1982, Chapter VIII), in both classical and quantum mechanics, the laws of conservation of angular momentum are a consequence of the isotropy of space respect to a closed system, so that it depends on the transformation properties under rotation of the coordinate system. Therefore, all quantum systems, like atomic nuclei or composite systems of elementary particles, besides the orbital angular momentum, show to have as well an intrinsic angular momentum, called spin, which is unconnected with its motion in space and to which it is also associated a magnetic moment whose strengths are not quantized and may assume any value. The spin disappears in the classical limit $\hbar\rightarrow 0$ so that it has no classical counterpart. The spin must be meant as fully distinct from the angular momentum due to the motion of the particle in space, that is to say, the orbital angular momentum. The particle concerned may be either elementary or composite but behaving in some respect as an elementary particle (e.g. an atomic nucleus). The spin of a particle (measured, like the orbital angular momentum, in units of $\hbar$) will be denoted by $\vec{s}$. Following (Rich and Wesley 1972), (Bertolotti 2005, Chapter 8), (Miller et al. 2007) and (Roberts and Marciano 2010, Chapter 1), the physical idea that an electron has an intrinsic angular momentum was first put forward independently of each other by A.H. Compton in 1921 to explain ferromagnetism181818Furthermore, Compton acknowledges A.L. Parson for having first proposed the electron as a spinning ring of charge. Compton modified this idea considering a much smaller distribution of charge mainly concentrated near the center of the electron. The Compton’s paper is almost unknown (see (Compton 1921)) albeit it is quoted by the 1926 Uhlenbeck and Goudsmit paper. Following (Roberts and Marciano 2010, Chapter 3, Section 3.2.1), also R. Kronig proposed, in 1925, the spin as an internal angular momentum responsible for the electron forth’s quantum number (see (Bertolotti 2005, Chapter 8). and by G. Uhlenbeck and S. Goudsmit in 1925 to explain spectroscopic observations in relation to the anomalous Zeeman effect, while spin was introduced into quantum mechanics by W. Pauli in 1927 as an additional term to the Pauli equation which is obtained by the non- relativistic representation of the Dirac equation to small velocities (see (Jegerlehner 2008, Part I, Chapter 3, Section 3.2)) to account for the quantum mechanical treatment of the spin-orbit coupling of the anomalous Zeeman effect (see also (Haken & Wolf 2005, Chapter 14, Section 3)). An equation similar to the Pauli’s one, was also introduced by C.G. Darwin in 1927 (see (Roberts and Marciano 2010, Chapter 3, Section 3.2.1)). Following (Jegerlehner 2008, Part I, Chapter 1), (Melnikov and Vainshtein 2006, Chapter 1) and (Shankar 1994, Chapter 14), leptons have interesting static (classical) electromagnetic and weak properties like the magnetic and electric dipole moments. Classically, dipole moments may arise either from electrical charges or currents. In this regards, an important example which may turns out to be useful to our purposes is the circulating current, due to an orbiting particle with electric charge $Q$ and mass $m$, which exhibits the following orbital magnetic dipole moment (1) $\vec{\mu}_{L}=\frac{Q}{2c}\vec{r}\wedge\vec{v}=\frac{Q}{2mc}\vec{L}=\Gamma\vec{L}$ where $\Gamma=Q/2mc$ is the classical gyromagnetic ratio191919Usually, the gyromagnetic ratio is denoted by lower case $\gamma$, but here we prefer to use the upper case $\Gamma$ to distinguish it by the well-known Lorentz factor $\gamma=1/\sqrt{1-\beta^{2}}$ with $\beta=v^{2}/c^{2}$. and $\vec{L}=m\vec{r}\wedge\vec{v}=\vec{r}\wedge\vec{p}$ is the orbital angular momentum whose corresponding quantum observable is the operator $-i\hbar\vec{r}\wedge\nabla=\hbar\vec{l}$, so that we have the following orbital magnetic dipole moment operator (see (Jegerlehner 2008, Part I, Chapter 3) and (Shankar 1994, Chapter 14)) (2) $\vec{\mu}_{l}=g_{l}\frac{Q\hbar}{2mc}\vec{l}$ where $g_{l}$ is a constant introduced by the usual quantization transcription rules. For $Q=e$, the quantity $\mu_{0}=e\hbar/2mc$ is normally used as a unit for the magnetic moments and is called the Bohr magneton. The electric charge $Q$ is usually measured in units of $e$, so that $Q=-1$ for leptons and $Q=+1$ for antileptons; therefore, we also may rewrite (2) in the following form (3) $\vec{\mu}_{l}=g_{l}\frac{Qe\hbar}{2mc}\vec{l}=g_{l}Q\mu_{0}\vec{l}.$ Both electric and magnetic properties have their origin in the electrical charges and their currents, apart from the existence or not of magnetic charges. Following (Jegerlehner 2008, Part I, Chapter 1) and (Muirhead 1965, Chapter 9, Section 9.2(d)), whatever the origin of magnetic and electric moments are, they contribute to the electromagnetic interaction Hamiltonian (interaction energy) of the particle with magnetic and electric fields which, in the non-relativistic limit, is given by (4) $\mathcal{H}_{em}=-(\vec{\mu}_{m}\cdot\vec{B}+\vec{d}_{e}\cdot\vec{E})$ where $\vec{\mu}_{m}$ and $\vec{d}_{e}$ are respectively the magnetic and electric dipole moments (see (Jegerlehner 2008, Part I, Chapter 1)). If one replaces the orbital angular momentum $\vec{L}$ with the spin $\vec{s}$, then we might search for an analogous (classical) magnetic dipole moment, say $\vec{\mu}_{s}$, associated with it and, therefore, given by $(Q/2mc)\vec{s}$. Nevertheless, following (Born 1969, Chapter 6, Section 38) and (Muirhead 1965, Chapter 2, Section 2.5)), to fully account for the anomalous Zeeman effect, we should consider this last expression multiplied by a certain scalar factor, say $g_{s}$ (often simply denoted by $g$), so that (5) $\vec{\mu}_{s}=g_{s}\frac{Q}{2mc}\vec{s}$ which is said to be the spin magnetic moment. Now, introducing, as a corresponding quantum observable, the spin operator defined by $\vec{S}=\hbar\vec{s}=\hbar\vec{\sigma}/2$, where $\vec{\sigma}$ is the Pauli spin operator, it is possible to consider both the spin magnetic moment operator and the electric dipole moment operator (see (Jegerlehner 2008, Part I, Chapter 1)), respectively defined as follows (6) $\vec{\mu}_{s}\doteq g_{s}Q\mu_{0}\frac{\vec{\sigma}}{2},\ \ \ \ \ \ \ \ \ \ \vec{d}_{e}\doteq\eta Q\mu_{0}\frac{\vec{\sigma}}{2},$ where $\eta$ is a constant, the electric counterpart of $g_{s}$. Following (Caldirola et al. 1982, Chapter XI, Section 3), the attribution of a $s=1/2$ spin value to the electron, led to the formulation of the so-called vectorial model of the atom. In such a model, amongst other things, the electron orbital angular moment $\vec{L}$ composes with the spin $\vec{s}$ through well-defined spin-orbit coupling rules (like the Russell-Saunders ones) to give the (classical) total angular moment defined to be $\vec{j}\doteq\vec{L}+\vec{s}$, while the (classical) total magnetic moment is defined to be $\vec{\mu}_{total}\doteq\vec{\mu}_{L}+\vec{\mu}_{s}$, so that, taking into account (3) and (6), the corresponding quantum observable counterpart, in this vectorial model, is (7) $\vec{\mu}_{total}\doteq\vec{\mu}_{l}+\vec{\mu}_{s}=g_{l}Q\mu_{0}\vec{l}+g_{s}Q\mu_{0}\frac{\vec{\sigma}}{2}=Q\mu_{0}(g_{l}\vec{l}+g_{s}\vec{S})$ which is said to be the total magnetic moment of the given elementary particle with charge $Q$ and mass $m$; since $g_{s}\neq 1$, it follows that it is not, in general, parallel to the total angular moment operator $\vec{J}\doteq\vec{l}+\vec{S}$, so that it undergoes to precession phenomena when magnetic fields act. The existence of the various above constants $g_{l},g_{s}$ and $\eta$ is mainly due to the fact that, in the vectorial model of anomalous Zeeman effect, the direction of total angular moment $\vec{j}$ does not coincide with the direction of total magnetic moment, so that these scalar factors just take into account the related non-zero angles which are called Landé separation factors because first introduced by A. Landé (1888-1976) in the early 1920s (see (Born 1969, Chapter 6, Section 38)). To be precise, only the parallel component of $\vec{\mu}_{tot}$ to $\vec{j}$, say $\vec{\mu}_{tot}^{\|}$, is efficacious, so that we should have (8) $\vec{\mu}_{tot}^{\|}=g_{j}\frac{Q\hbar}{2mc}\vec{j}$ where the scalar factor $g_{j}$ (or simply $g$) takes into account the difference between the vectorial model of anomalous Zeeman effect and the theory of the normal one. To may computes this factor, we start from the relation (9) ${\mu}_{tot}^{\|}=\mu_{l}\cos(\widehat{\vec{l},\vec{j}})+\mu_{s}\cos(\widehat{\vec{s},\vec{j}})$ with (10) $\mu_{l}=g_{l}\frac{Q\hbar}{2mc}l,\ \ \ \ \ \ \ \ \ \ \mu_{s}=g_{s}\frac{Q\hbar}{2mc}s$ where $g_{l}$ and $g_{s}$ are known to be respectively the orbital and spin factors, which, in turn, represent the ratios respectively between the orbital and spin magnetic and mechanic moments. Replacing (10) into (9), we have (11) $g_{j}=g_{l}\frac{l}{j}\cos(\widehat{\vec{l},\vec{j}})+g_{s}\frac{s}{j}\cos(\widehat{\vec{s},\vec{j}})$ from which (see (Born 1969, Chapter 6, Section 38)) it is possible to reach to the following relation (12) $g_{j}=g_{l}\frac{(j^{2}+l^{2}-s^{2})}{2j^{2}}+g_{s}\frac{(j^{2}+s^{2}-l^{2})}{2j^{2}}$ Experimental evidences dating back to 1920s and mainly related to the anomalous Zeeman effect, seemed suggesting that $g_{l}=1$ and $g_{s}=2$ for the electron, that is, the atomic vectorial model explains the fine structure features of alkali metals and the anomalous Zeeman effect if one supposes to be $g_{s}\neq 1$, that is to say, a spin intrinsic gyromagnetic ratio anomalous respect to the orbital one ($g_{l}=1$), so speaking of a spin anomaly. Following (Bohm 1993, Chapter IX, Section 3), the deviations from the $g_{s}=2$ value for the electron comes from the radiative corrections of quantum electrodynamics and is of the same order as, and of analogous origin to, the Lamb shift. The value $g_{s}=2$ was first established as far back as 1915 by a celebrated experiment of A. Einstein and W.J. de Haas which led to the formulation of the so-called Einstein-de Hass effect and that was also incorporated in the spin hypothesis put forward in the 1920s (see (S̆polskij 1986, Volume II, Chapter VII, Section 70)). Following (Jegerlehner 2008, Part I, Chapter 1), the anomalous magnetic moment is an observable which may be studied through experimental analysis of the motion of leptons. The story started in 1925 when Uhlenbeck and Goudsmit put forward the hypothesis that an electron had an intrinsic angular momentum of $\hbar/2$ and that associated with this there were a magnetic dipole moment equal to $e\hbar/2mc$, i.e. the Bohr magneton $\mu_{0}$. According to E. Back and A. Landé, the question which naturally arose was whether the magnetic moment of the electron $(\mu_{m})_{e}$ is precisely equal to $\mu_{0}$, or else $g_{s}=1$ in $(10)_{2}$, to which them tried to answer through a detailed study of numerous experimental investigations on the Zeeman effect made in 1925, reaching to the conclusion that the Uhlenbeck and Goudsmit hypothesis was consistent although they did not really determine the value of $g_{s}$. In 1927, Pauli formulated the quantum mechanical treatment of the electron spin in which $g_{s}$ remained a free parameter, whilst Dirac presented his revolutionary relativistic theory of electron in 1928, which, instead, unexpectedly predicted $g_{s}=2$ and $g_{l}=1$ for a free electron. The first experimental evidences for the Dirac’s theoretical foresights for electrons came from L.E. Kinster and W.V. Houston in 1934, albeit with large experimental errors at that time. Following (Kusch 1956), it took many more years of experimental attempts to descry that the electron magnetic moment could exceed 2 by about 0.12, the first clear indication of the existence of a certain anomalous contribution to the magnetic moment given by (13) $a_{i}\doteq\frac{(g_{s})_{i}-2}{2},\ \ \ \ \ \ \ \ \ \ i=e,\mu,\tau.$ With the new results on renormalization of QED by J. Schwinger, S.I. Tomonaga and R.P. Feynman of 1940s, the notion of anomalous magnetic moment (AMM) falls into the wider class of QED radiative corrections. ### 3.2 On Field Theory aspects of AMM Following (Jegerlehner 2008, Part I, Chapter 3), for the measurement of the anomalous magnetic moment of a lepton, it is necessary to consider the motion of a relativistic point-particle $i$ (or Dirac particle202020That is to say, a particle without internal structure.) of charge $Q_{i}e$ and mass $m_{i}$ in an external electromagnetic field $A_{\mu}^{ext}(x)$. The equations of motion of a charged Dirac particle in an external field are given by the Dirac equation (14) $\big{(}i\hbar\gamma^{\mu}\partial_{\mu}+Q_{i}\frac{e}{c}\gamma^{\mu}(A_{\mu}+A_{\mu}^{ext}(x))-m_{i}c\big{)}\psi_{i}(x)=0,$ and by the second order wave equation (15) $\big{(}\Box g^{\mu\nu}-(1-\xi^{-1}\big{)}\partial^{\mu}\partial^{\nu})A_{\nu}(x)=-Q_{i}e\bar{\psi}_{i}(x)\gamma^{\mu}\psi_{i}(x).$ The first step is now to find a solution to the relativistic one-particle problem given by the Dirac equation (14) in the presence of an external field, neglecting the radiation field in first approximation. In such a case, the equation (14) reduces to (16) $i\hbar\frac{\partial\psi_{i}}{\partial t}=\big{(}-c{\vec{\alpha}}(i\hbar{\vec{\nabla}}-Q_{i}\frac{e}{c}{\vec{A}})-Q_{i}e\Phi+\beta m_{i}c^{2}\big{)}\psi_{i}$ where (17) $\beta=\gamma^{0}=\left(\begin{array}[]{cc}1&0\\\ 0&-1\\\ \end{array}\right),\ \ \ \vec{\alpha}=\gamma^{0}\vec{\gamma}=\left(\begin{array}[]{cc}0&{\vec{\sigma}}\\\ \vec{\sigma}&0\\\ \end{array}\right)$ are the Dirac matrices, $A^{\mu\ ext}=(\Phi,\vec{A})$ is the electromagnetic four-potential with scalar and vector potential respectively given by $\Phi$ and $\vec{A}$ (of the external electromagnetic field) and $i=e,\mu,\tau$. For the interpretation of the solution to the last Dirac equation (16), the non- relativistic limit plays an important role because many relativistic QFT problems may be most easily understood and solved in terms of the non- relativistic problem as a starting point. To this end, it is helpful and more transparent to work in natural units, the general rules of transcription being the following: $p^{\mu}\rightarrow p^{\mu},d\mu(p)\rightarrow\hbar^{-3}d\mu(p),m\rightarrow mc,e\rightarrow e/(\hbar c),\exp(ipx)\rightarrow\exp(ipx/\hbar)$ and, for spinors, ${}^{t}(u,v)\rightarrow{{}^{t}(u/\sqrt{c},v/\sqrt{c})}$; furthermore, we shall consider a generic lepton $e^{-},\mu^{-},\tau^{-}$ with charge $Q_{i}$, dropping the index $i$. Moreover, to get, from the Dirac spinor $\psi$, the two-component Pauli spinors $\varphi$ and $\chi$ in the non-relativistic limit, one has to perform an appropriate unitary transformation, the so-called Foldy-Wouthuysen transformation212121It is a unitary transformation introduced around the late 1940s by L.L. Foldy and S.A. Wouthuysen to study the non- relativistic limits of Dirac equation as well as to overcome certain conceptual and theoretical problems arising from the relativistic interpretations of position and momentum operators. Following (Foldy and Wouthuysen 1950), in the non-relativistic limit, where the momentum of the particle is small compared to $m$, it is well known that a Dirac particle (that is, one with spin 1/2) can be described by a two-component wave function in the Pauli theory. The usual method of demonstrating that the Dirac theory goes into the Pauli theory in this limit makes use of the fact that two of the four Dirac-function components become small when the momentum is small. One then writes out the equations satisfied by the four components and solves, approximately, two of the equations for the small components. By substituting these solutions in the remaining two equations, one obtains a pair of equations for the large components which are essentially the Pauli spin equations. See (Bjorken and Drell 1964, Chapter 4)., upon the Dirac equation (16) rewritten as follows (18) $i\hbar\frac{\partial\psi}{\partial t}=\vec{H}\psi,\ \ \ \ \ \vec{H}=c\vec{\alpha}\big{(}\vec{p}-\frac{Q}{c}\vec{A}\big{)}+\beta mc^{2}+Q\Phi,$ with $\vec{\alpha}$ and $\beta$ given by (17) (see (Bjorken and Drell 1964, Chapter 1, Section 4, Formula (1.26)). Then, following (Bjorken and Drell 1964, Chapter 1, Section 4) and (Jegerlehner 2008, Part I, Chapter 3), in order to obtain the non-relativistic representation for small velocities, we should split off the phase of the Dirac field $\psi$, which is due to the rest energy of the lepton (19) $\psi=\tilde{\psi}\exp\big{(}-i\frac{mc^{2}}{\hbar}t\big{)},\ \ \ \ \ \tilde{\psi}=\left(\begin{array}[]{c}\tilde{\varphi}\\\ \tilde{\chi}\end{array}\right)$ so that the Dirac equation takes the form (20) $i\hbar\frac{\partial\tilde{\psi}}{\partial t}=(\vec{H}-mc^{2})\tilde{\psi}$ and describes the following coupled system of equations (21) $\big{(}i\hbar\frac{\partial}{\partial t}-Q\Phi\big{)}\tilde{\varphi}=c\vec{\sigma}\big{(}\vec{p}-\frac{Q}{c}\vec{A}\big{)}\tilde{\chi},$ (22) $\big{(}i\hbar\frac{\partial}{\partial t}-Q\Phi+2mc^{2}\big{)}\tilde{\chi}=c\vec{\sigma}\big{(}\vec{p}-\frac{Q}{c}\vec{A}\big{)}\tilde{\varphi}$ which, respectively, provide the Pauli description in the non-relativistic limit and the one of the negative-energy states. As $c\rightarrow\infty$, it is possible to prove that (23) $\tilde{\chi}\cong\frac{1}{2mc}\vec{\sigma}\big{(}\vec{p}-\frac{Q}{c}\vec{A}\big{)}\tilde{\varphi}+O(1/c^{2}),$ by which we have (24) $\big{(}i\hbar\frac{\partial}{\partial t}-Q\Phi\big{)}\tilde{\varphi}\cong\frac{1}{2m}\big{(}\vec{\sigma}(\vec{p}-\frac{Q}{c}\vec{A})\big{)}^{2}\tilde{\varphi}$ and since $\vec{p}$ does not commute with $\vec{A}$, we may use the relation (25) $(\vec{\sigma}\vec{a})(\vec{\sigma}\vec{b})=\vec{a}\vec{b}+i\vec{\sigma}(\vec{a}\wedge\vec{b})$ to obtain (26) $\big{(}\vec{\sigma}(\vec{p}-\frac{Q}{c}\vec{A})\big{)}^{2}=\big{(}\vec{p}-\frac{Q}{c}\vec{A}\big{)}^{2}-\frac{Q\hbar}{c}\vec{\sigma}\cdot\vec{B}$ where $\vec{B}=rot\ \vec{A}$, so finally reaching to the following 1927 Pauli equation (27) $i\hbar\frac{\partial\tilde{\varphi}}{\partial t}=\tilde{H}\tilde{\varphi}=\Big{(}\frac{1}{2m}\big{(}\vec{p}-\frac{Q}{c}\vec{A}\big{)}^{2}+Q\Phi-\frac{Q\hbar}{2mc}\vec{\sigma}\cdot\vec{B}\Big{)}$ which, up to the spin term, is nothing but the non-relativistic Schrödinger equation. Following too (Muirhead 1965, Chapter 3, Section 3.3(f)), the last term of (27) has the form of an additional potential energy. Now, by (4), since the potential energy of a magnet of moment $\vec{\mu}_{m}$, in a field of strength $B$, is $-\vec{\mu}_{m}\cdot\vec{B}$, equation (27) shows that a Dirac particle with electric charge $Q$ should possess a magnetic moment equal to $(Q\hbar/2mc)\vec{\sigma}=2Q\mu_{0}\vec{\sigma}/2$ that, compared with $(6)_{1}$, would imply $g_{s}=2$. This is what Dirac theory historically provided for an electron. Later, Pauli showed as the Dirac equation could be little modified to account for leptons of arbitrary magnetic moment by adding a suitable term. Indeed, in222222See also (Pauli 1973, Chapter 6, Section 29). (Pauli 1941, Section 5)), the author concludes his report with some simple applications of the theories discussed in (Pauli 1941, Part II, Sections 1, 2(d) and 3(a)), concerning the interaction of particles of spin 0, 1, and 1/2 with the electromagnetic field. In the last two cases we denote the value $e\hbar/2mc$ of the magnetic moment as the normal one, where $m$ is the rest mass of the particle. The assumption of a more general value $g_{s}(e\hbar/2mc)$ for the magnetic moment demands the introduction of additional terms, proportional to $g_{s}-1$, into the Lagrangian or Hamiltonian. Pauli concludes his report with some simple applications of the theories discussed in (Pauli 1941, Part II, Sections 1, 2(d) and 3(a)) concerning the interaction of particles of spin 0, 1, and 1/2 with the electromagnetic field. In the last two cases, Pauli denotes the value $e\hbar/2mc$ of the magnetic moment as the normal one, where $m$ is the rest mass of the particle. The assumption of a more general value $g(e\hbar/2mc)$ for the magnetic moment demands the introduction of additional terms, proportional to $g-1$, in the Lagrangian or Hamiltonian. To be precise, following (Dirac 1958, Chapter 11, Section 70), (Corinaldesi and Strocchi 1963, Chapter VII, Section 4), (Muirhead 1965, Chapter 3, Section 3.3(f)) and (Levich et al. 1973, Chapter 8, Section 63 and Chapter 13, Section 118), Pauli modified the basic Dirac equation, written in scalar form as follows (28) $i\hbar\gamma_{\mu}\frac{\partial}{\partial x_{\mu}}\psi+mc^{2}\psi-i\hbar\frac{Q}{c}\gamma_{\mu}A_{\mu}\psi=0,$ to get the following Lorentz invariant Dirac-Pauli equation $\displaystyle i\hbar\gamma_{\mu}\frac{\partial}{\partial x_{\mu}}\psi+mc^{2}\psi-i\hbar\frac{Q}{c}\gamma_{\mu}A_{\mu}\psi-i\hbar a_{\mu}\gamma_{\mu}\gamma_{\nu}(A_{\mu,\nu}-A_{\nu,\mu})$ (29) $\displaystyle=i\hbar\gamma_{\mu}\frac{\partial}{\partial x_{\mu}}\psi+mc^{2}\psi-i\hbar\frac{Q}{c}\gamma_{\mu}A_{\mu}\psi-i\hbar a_{\mu}\sigma_{\mu\nu}q_{\nu}A_{\mu}=0$ replacing the gauge invariant interaction term $-i\hbar\sigma_{\mu\nu}q_{\nu}A_{\mu}$ with the following phenomenological term (see also (Sakurai 1967, Chapter 3, Section 3-5) $-i\hbar a_{\mu}\sigma_{\mu\nu}q_{\nu}A_{\mu}$ called an anomalous moment interaction (or Pauli moment), where $a_{\mu}$ represents the anomalous part of the magnetic moment of the particle, $q$ is the momentum transfer and $\hat{\sigma}=-(i/2)[\vec{\gamma},\vec{\gamma}]$ is the spin $1/2$ momentum tensor. In the non-relativistic limit, this last expression reduces to the following equation (compare with (27)) (30) $i\hbar\frac{\partial\psi}{\partial t}=\Big{(}\frac{1}{2m}\big{(}\vec{p}-\frac{Q}{c}\vec{A}\big{)}^{2}+Q\psi-\big{(}a_{\mu}+\frac{Q\hbar}{2mc}\big{)}\vec{\sigma}\cdot\vec{B}\Big{)}$ so justifying the use of the term ’anomalous’ to denote a deviation from the classical results. Thus, the transition from the non-relativistic approximation of the Dirac equation goes over into the Pauli equation; furthermore, from this reduction there results not only the existence of the spin of particles but also the existence of the intrinsic magnetic moment of particle and its anomalous part. Namely, we should have $g_{s}=2(1+a_{\mu})$, where its higher order part $a_{\mu}=(g_{s}-2)/2\geq 0$ just measures the deviation’s degree respect to the value $g_{s}=2$ (Dirac moment) as predicted by the 1928 Dirac theory for electron232323Following (Roberts and Marciano 2010) and (Miller et al. 2007, Section 1), the non-relativistic reduction of the Dirac equation for an electron in a weak magnetic field $\vec{B}$, is as follows $i\hbar(\partial\psi/\partial t)=[(p^{2}/2m)-(e/2m)(\vec{L}+2\vec{S})\cdot\vec{B}]\psi$, by which it follows that $g_{s}=2$. as well as by H.A. Kramers in 1934 (see (Farley and Semertzidis 2004, Section 1)) developing Lorentz covariant equations for spin motion in a moving system. Later, this Pauli ansatz was formally improved and generalized by L.L. Foldy and S.A. Wouthuysen in the forties to obtain a generalized Pauli equation which will be the theoretical underpinning of further experiments. Indeed, at the first order in $1/c$, the lepton behaves as a particle which has, other than a charge, also a magnetic moment given by $\mu_{m}=(Q\hbar/2mc)\vec{\sigma}=(Q/mc)\vec{S}$, as said above. Following (Corinaldesi and Strocchi 1963, Chapter VII, Section 5), (Bjorken and Drell 1964, Chapter 4, Section 3) and (Jegerlehner 2008, Part I, Chapter 3), from an expansion in $1/c$ of the Dirac Hamiltonian given by $(18)_{2}$, we have the following effective third order Hamiltonian obtained applying a third canonical Foldy-Wouthuysen transformation to $(18)_{2}$ (31) $\displaystyle\vec{H}^{\prime\prime\prime}_{FW}$ $\displaystyle=$ $\displaystyle\beta\Big{(}mc^{2}+\frac{\big{(}\vec{p}-(Q/c)\vec{A}\big{)}^{2}}{2m}-\frac{\vec{p}^{4}}{8m^{3}c^{2}}\Big{)}+Q\Phi-\beta\frac{Q\hbar}{2mc}\vec{\sigma}\cdot\vec{B}+$ $\displaystyle-\frac{Q\hbar^{2}}{8m^{2}c^{2}}div\vec{E}-\frac{Q\hbar}{4m^{2}c^{2}}\vec{\sigma}\cdot\big{[}(\vec{E}\wedge\vec{p}+\frac{i}{2}rot\vec{E})\big{]}+O(1/c^{3})$ where each term of it, has a direct physical meaning: see (Bjorken and Drell 1964, Chapter 4, Section 3) for more details. In particular, the last term takes into account the spin-orbit coupling interaction energy and will play a fundamental role in setting up the experimental apparatus of many $g-2$ later experiments. The last Hamiltonian, to the third order, gives rise to the following generalized Pauli equation $i\hbar(\partial\tilde{\varphi}/\partial t)=\vec{H}^{\prime\prime\prime}_{FW}\tilde{\varphi}$, which is a generalized version, including high relativistic terms via the application of a Foldy- Wouthuysen transformation, of the first form proposed by Pauli in 1941 (see (Pauli 1941)) and that leads to the second approximation Schrödinger-Pauli equation as a non-relativistic limit of the Dirac equation (see (Corinaldesi and Strocchi 1963, Chapter VIII, Section 1)). Our particular interest is the motion of a lepton in an external field under consideration of the full relativistic quantum behavior which is ruled by the QED equations of motions (14) and (15) that, in turn, under the action of an external field, reduce to (16). For slowly varying field, the motion is essentially determined by the generalized Pauli equation which besides also serves as a basis for understanding the role of the magnetic moment of a lepton at the classical level. The anomalous magnetic moment roughly estimates the deviations from the exact value $g_{s}=2$, because of certain relativistic quantum fluctuations in the electromagnetic field (initially called Zitterbewegung) around the leptons and mainly due, besides weak and strong interaction effects, to QED higher order effects as a consequence of the interaction of the lepton with the external (electromagnetic) field and which are usually eliminated through the so-called radiative corrections. At present, we are interested to QED contributions only. Following (Muirhead 1965, Chapter 11, Section 11.4), (Jegerlehner 2008, Part I, Chapter 3) and (Melnikov and Vainshtein 2006, Chapter 2), the QED Lagrangian of interaction of leptons and photons is (see also (Muirhead 1965, Chapter 8, Section 8.3(a))) (32) $\mathcal{L}^{QED}_{int}=-\frac{1}{4}F_{\mu\nu}F^{\mu\nu}+\bar{\psi}(i{\gamma_{\mu}\partial_{\mu}}-m)\psi- QJ^{\mu}A_{\mu}$ where $\psi$ is the lepton field, $A^{\mu}=(\Phi,\vec{A})$ is the vector potential of the electromagnetic field, $F^{\mu\nu}=\partial^{\mu}A^{\nu}-\partial^{\nu}A^{\mu}$ is the field-strength tensor of the electromagnetic field, $J^{\mu}(x)=\bar{\psi}(x)\gamma^{\mu}\psi(x)$ is the electric current and $Q$ is the lepton charge. Let us consider an incoming lepton $l(p_{1}^{\mu},r_{1})$, with 4-momentum $p_{1}^{\mu}$, rest mass $m$, charge $Q$ and $r_{1}$ as third component of spin, which scatters off the external electromagnetic potential $A_{\mu}$ towards a lepton $l(p_{2}^{\mu},r_{2})$ of 4-momentum $p_{2}^{\mu}$ and third component of spin $r_{2}$. To the first order in the external field and in the classical limit of $q^{2}=p_{2}^{2}-p_{1}^{2}\rightarrow 0$, the interaction is described by the following scattering amplitude (33) $\mathcal{M}(x;p)=\langle l(p_{2}^{\mu},r_{2})|J^{\mu}(x)|l(p_{1}^{\mu},r_{1})\rangle$ where $\vec{q}=\vec{p}_{2}-\vec{p}_{1}$ is the momentum transfer. In practice, it will be more convenient to work, through Fourier transforms, with invariant momentum transfers rather than spatial functions. So, in momentum space, due to space-time translation invariance for which $J^{\mu}(x)=\exp(iPx)J^{\mu}(0)\exp(-iPx)$, and to the fact that the lepton states are eigenstates of 4-momentum, that is to say $\exp(-iPx)|l(p_{i},r_{i})\rangle=\exp(-ip_{i}x)|l(p_{i};r_{i})\rangle,i=1,2$, we find the following Fourier transform of the scattering matrix (34) $\displaystyle\tilde{\mathcal{M}}(q;p)$ $\displaystyle=$ $\displaystyle\int\exp(iqx)\langle l(p_{2},r_{2})|J^{\mu}(x)|l(p_{1},r_{1})\rangle d^{4}x=$ $\displaystyle=$ $\displaystyle\int\exp[i(p_{2}-p_{1}-q)x]\langle l(p_{2},r_{2})|J^{\mu}(0)|l(p_{1},r_{1})\rangle d^{4}x=$ $\displaystyle=$ $\displaystyle(2\pi)^{4}\delta^{(4)}(q-p_{2}+p_{1})\langle l(p_{2},r_{2})|J^{\mu}(0)|l(p_{1},r_{1})\rangle$ which is proportional to the Dirac $\delta$-function of 4-momentum conservation. Therefore, the $T$-matrix element is given by (35) $\langle l(p_{2},r_{2})|J^{\mu}(0)|l(p_{1},r_{1})\rangle.$ Via the current conservation law $\partial_{\mu}J^{\mu}(\vec{x})=0$ and the parity conservation in QED, the most general parametrization of the $T$-matrix element has the following QED relativistically covariant decomposition (36) $\langle l(p_{2})|J^{\mu}(0)|l(p_{1})\rangle=\bar{u}(p_{2})\Gamma^{\mu}(p_{2},p_{1})u(p_{1})$ where $\Gamma^{\mu}$, called lepton-photon vertex function, is any expression (or group of expression) which has the transformation properties of a 4-vector and is also a $4\times 4$ matrix in the spin space of the lepton. Following (Muirhead 1965, Chapter 11, Section 11.4(c)) and (Roberts and Marciano 2010, Chapter 2, Section 2.2; Chapter 3, Section 3.2.2), we shall have the following Lorentz structure for the scattering amplitude (37) $\bar{u}(p_{2})\Gamma^{\mu}(p_{2},p_{1})u(p_{1})=-iQ\bar{u}(p_{2})\Big{(}F_{D}(q^{2})\gamma^{\mu}+F_{P}(q^{2})\frac{i\sigma^{\mu\nu}q_{\nu}}{2m}\Big{)}u(p_{1})$ where $u(p)$ denotes the Dirac spinors, while $\sigma^{\mu\nu}=(i/2)(\gamma^{\mu}\gamma^{\nu}-\gamma^{\nu}\gamma^{\mu})=(i/2)[\gamma^{\mu},\gamma^{\nu}]$ are the components of the Dirac spin operator $\hat{\sigma}=-(i/2)\vec{\gamma}\wedge\vec{\gamma}$ or else the spin $1/2$ angular momentum tensor. $F_{D}(q^{2})$ (or $F_{E}(q^{2})$) is the Dirac (or electric charge) form factor, while $F_{P}(q^{2})$ (or $F_{M}(q^{2})$) is the Pauli (or magnetic) form factor, which roughly are connected respectively with the distribution of charge over the lepton and with the anomalous magnetic moment to the interaction lepton-electromagnetic field. We now need to know the relationships between these form factors and the anomalous part of the lepton magnetic moment. In the non-relativistic quantum mechanics, a lepton interacting with an electromagnetic field is described by the Hamiltonian (38) $H=\frac{(\vec{p}-Q\vec{A})^{2}}{2m}-\vec{\mu}_{s}\cdot\vec{B}+Q\Phi,\ \ \ \ \ \ \vec{B}=rot\vec{A}$ which is nothing that $\tilde{H}$ of (27). To find the relations between the lepton magnetic moment $\mu_{s}$ and the Dirac and Pauli form factors, we consider the scattering of the lepton off the external vector potential $A_{\mu}$ in the non-relativistic approximation, using the Hamiltonian (38) and comparing the results with (33). Following (Melnikov and Vainshtein 2006, Chapter 2), the non-relativistic scattering amplitude in the first order Born approximation is given by (39) $\Omega=-\frac{m}{2\pi}\int{\bar{\psi}}(\vec{p}_{2})V\psi(\vec{p}_{1})d^{3}\vec{r}$ where $\psi(\vec{p}_{1})=\tilde{\varphi}\exp(i\vec{p}_{1}\cdot\vec{r})$ and $\psi(\vec{p}_{2})=\tilde{\chi}\exp(i\vec{p}_{2}\cdot\vec{r})$ are the wave functions of the lepton described by the two components of Pauli spinors (see (19)) $\tilde{\varphi}$ and $\tilde{\chi}$, and (40) $V=-\frac{Q}{2m}(\vec{p}\cdot\vec{A}+\vec{A}\cdot\vec{p})-\mu_{s}\vec{\sigma}\cdot\vec{B}+Q\Phi.$ By a Fourier transform, we have (41) $\Omega=-\frac{m}{2\pi}\tilde{\chi}\Big{(}-\frac{Q}{2m}\vec{A}_{q}\cdot(\vec{p}_{2}+\vec{p}_{1})+Q\Phi_{q}-i\mu_{s}\vec{\sigma}\cdot(\vec{q}\wedge\vec{A}_{q})\Big{)}\tilde{\varphi}$ where $\Phi_{q}$ and $\vec{A}_{q}$ stands for the Fourier transforms of the electric potential $\Phi$ and of the vector potential $\vec{A}$. Therefore, we will derive (41) starting from the relativistic expression for the scattering amplitude (33) and taking then the non-relativistic limit. If the Dirac spinors are normalized to $2m$, the relation between the two oscillating amplitudes in the non-relativistic limit, is given by (42) $-i\lim_{|\vec{p}|\ll m}\mathcal{M}(x;p)=4\pi\Omega.$ To derive the non-relativistic limit of the scattering amplitude $\mathcal{M}$, we use the explicit representation of the Dirac matrices, given by (43) $\gamma^{0}=\left(\begin{array}[]{cc}I&0\\\ 0&-I\\\ \end{array}\right),\ \ \ \ \ \gamma^{i}=\left(\begin{array}[]{cc}0&{{\sigma}_{i}}\\\ -{\sigma}_{i}&0\\\ \end{array}\right)\ \ \ i=1,2,3,$ and the Dirac spinors $u(p)$. Using these expressions in $\mathcal{M}$ and working at first order in $|\vec{p}_{i}|/m\ i=1,2$, we obtain (44) $\displaystyle\mathcal{M}$ $\displaystyle=$ $\displaystyle-2iem\tilde{\chi}\Big{[}F_{D}(0)\Big{(}\Phi_{q}-\frac{\vec{A}_{q}\cdot(\vec{p}_{1}+\vec{p}_{2})}{2m}\Big{)}+$ $\displaystyle-i\frac{F_{D}(0)+F_{P}(0)}{2m}\vec{\sigma}\cdot(\vec{q}\wedge\vec{A}_{q})\Big{]}\tilde{\varphi}.$ Using (41), (42) and (44), we find (45) $F_{D}(0)=1,\ \ \ \ \ \ \ \ \ \ \mu_{s}=\frac{Q}{2m}\big{(}F_{D}(0)+F_{P}(0)\big{)}$ which compared with (5) and (6), give (46) $g_{s}=2(1+F_{P}(0))$ so that, if the Pauli form factor $F_{P}(q^{2})$ does not vanish for $q=0$, then $g_{s}$ is different from 2, the value predicted by Dirac theory of electron. It is conventional to call this difference the muon anomalous magnetic moment and write it as (47) $a_{\mu}=F_{P}(0)=\frac{g_{s}-2}{2}$ so that, in the static (classical) limit we have too (48) $F_{D}(0)=1,\ \ \ \ \ \ \ \ \ \ F_{P}(0)=a_{\mu}$ where the first relation is the so-called charge renormalization condition (in units of $Q$), while the second relation is the finite prediction for $a_{\mu}$ in terms of the pauli form factor. In QED, $a_{\mu}$ may be computed in the perturbative expansion in the fine structure constant242424Following (Muirhead 1965, Chapter 1, Section 1.3(b)), the interaction of the elementary particles with each other can be separated into three main classes, each with its own coupling strength. To be precise, the common parameter appearing in the electromagnetic processes is the fine structure constant $\alpha=e^{2}/4\pi\hbar c$; the strength of strong interactions is characterized by the dimensionless coupling term $g^{2}/4\pi\hbar c$, while the weak interactions are ruled by the Fermi coupling constant $G_{F}$. $\alpha=Q^{2}/4\pi$ as follows (49) $a_{\mu}^{QED}=\sum_{i=1}^{\infty}a_{\mu}^{(i)}=\sum_{i=1}^{\infty}c_{i}\Big{(}\frac{\alpha}{\pi}\Big{)}^{i}.$ The first term in the series is $O(\alpha)$ since, when radiative corrections are neglected, the Pauli form factor vanishes. This is easily seen from the QED Lagrangian $\mathcal{L}_{int}^{QED}$ given by (32), which implies that, through leading order in $\alpha$, the interaction between the external electromagnetic field and the lepton, is given by $-iQ\bar{u}(p_{2})\gamma^{\mu}u(p_{1})A_{\mu}$. A consequence of the current conservation, is the fact that the Dirac form factor satisfies the condition $F_{D}(0)=1$ to all orders in the perturbation expansion. The renormalization constants influence the Pauli form factor only indirectly, through the mass, the charge and the fermion wave function renormalization, because there is no corresponding tree-level operator in QED Lagrangian. Therefore, the anomalous magnetic moment is the unique prediction of QED; moreover, the $O(\alpha)$ contribution to $a_{\mu}$ has to be finite without any renormalization. The QED radiative corrections provide the largest contribution to the lepton anomalous magnetic moment. The one-loop result was computed by J. Schwinger in 1948 (see (Schwinger 1948)), who found the following lowest-order radiative (or one-loop) correction to the electron anomaly (see (Rich and Wesley 1972) and (Roberts and Marciano 2010, Chapter 3, Section 3.2.2.1)) (50) $a_{e}^{(2)}=F_{P}(0)=\alpha/2\pi\cong 0.00116.$ In 1949, F.J. Dyson showed that Schwinger’s theory could be extended to allow calculation of higher-order corrections to the properties of quantum systems. Since Dyson showed too that the one-loop QED contribution to the anomalous magnetic moment did not depend on the mass of the fermion, the Schwinger’s result turned out to be valid for all leptons, so that we have $a_{i}^{(2)}=F_{P}(0)=\alpha/2\pi,\ i=e,\mu,\tau$. Currently, QED calculations have been extended to the four-loop order and even some estimates of the five- loop contribution exist. It is interesting however to remark that Schwinger’s calculation was performed before the renormalizability of QED were understood in details; historically, this provided a first interesting example of a fundamental physics result derived from a theory that was considered to be quite ambiguous at that time. Therefore, the anomalous magnetic moment of a lepton is a dimensionless quantity which may be computed order by order as a perturbative expansion in the fine structure constant $\alpha$ in QED and beyond this, in the Standard Model (SM) of elementary particles or extensions of it. As an effective interaction term, the anomalous magnetic moment is mainly induced by the interaction of the lepton with photons or other particles, so that it has a pure QED origin. It corresponds to a dimension 5 operator (see (51)) and since any renormalizable theory is constrained to exhibit terms of dimension 4 or less only, it follows that such a term must be absent for any fermion in any renormalizable theory at tree (or zero-loop) level. It is the absence of such a Pauli term that leads to the prediction $g_{s}=2+O(\alpha)$. Therefore, at that time, it was necessary looking for other theoretical tools and techniques to experimentally approach the determination of the anomalous magnetic moment of leptons. Following (Jegerlehner 2008, Part I, Chapter 3), in higher orders the form factors for the muon in general acquires an imaginary part. Indeed, if one considers the following effective dipole moment Lagrangian with complex coupling (51) $\mathcal{L}_{eff}^{DM}=-\frac{1}{2}\Big{[}\bar{\psi}\sigma^{\mu\nu}\Big{(}D_{\mu}\frac{1+\gamma_{5}}{2}+\bar{D}_{\mu}\frac{1-\gamma_{5}}{2}\Big{)}\psi\Big{]}F_{\mu\nu}$ with $\psi$ the muon field, we have (52) $\Re D_{\mu}=a_{\mu}\frac{Q}{2m_{\mu}},\ \ \ \ \ \Im D_{\mu}=d_{\mu}=\frac{\eta}{2}\frac{Q}{2m_{\mu}},$ so that the imaginary part of $F_{P}(0)$ corresponds to an electric dipole moment (EDM) which is non-vanishing only if we have $T$ violation. The equation (51) provides as well the connection between the magnetic and electric dipole moments through the dipole operator $D$. As we will see later, the incoming new ideas on symmetry in QFT will turn out to be of extreme usefulness to approach and to analyze the problem of determination of the anomalous magnetic moment of the leptons, the equation (51) being just one of these important results. ### 3.3 Experimental determinations of the lepton AMM: a brief historical sketch #### 3.3.1 On the early 1940s experiences Following (Kusch 1956), (Rich and Wesley 1972), (Farley and Picasso 1979), (Hughes 2003) and (Jegerlehner 2008, Part I, Chapter 1), in the same period in which appeared the famous 1948 Schwinger seminal research note, thanks to the new molecular-beams magnetic resonance spectroscopy methods mainly worked out by the research group leaded by I.I. Rabi in the late of 1930s, P. Kusch and H.M. Foley detected, in 1947, a small anomalous $g_{L}$-value for the electron within a 4% accuracy (see also (Weisskopf 1949)), analyzing the ${}^{2}P_{3/2}$ and ${}^{2}P_{1/2}$ state transition of Gallium: to be precise they found the values $g_{s}=2.00229\pm 0.00008$ and $g_{l}=0.99886\pm 0.00004$; later, J.E. Nafe, E.B. Nelson and Rabi himself were able, in May 1947, to detect a discrepancy between theoretical and predicted values of about 0.26% by the measurements of the hyperfine structure level splitting of hydrogen and deuterium in the ground state on the accepted Dirac $g$-factor of 2, which was quickly confirmed in the same year by D.E. Nagle, R.S. Julian and J.R. Zacharias (see also (Schweber 1961, Chapter 15, Section d)). In this regards, in September 1947, G. Breit (1947a,b) suggested that such discordances between theoretical expectations and experimental evidences could be overcome if one had supposed $g\neq 2$. Independently by Breit, also J.M. Luttinger (1948) (as well as T.A. Welton and Z. Koba - see (Rich and Wesley 1972) and references therein - between 1948 and 1949) stated that some experiments of then, seemed to require a modification in the $g$-factor of the electron. In this regards, Schwinger suggested that the coupling between the electron and the radiation field could be the responsible of this, calculating the effect on the basis of a general subtraction formalism for the infinities of quantum electrodynamics. Luttinger, instead, shown that the possible change in the electron magnetic moment could be derived very simply without any reference to an elaborate subtraction formalism. Soon after, P. Kusch, E.B. Nelson and H.M. Foley presented, in 1948, another precision measurement of the magnetic moment of the electron, just before Schwinger’s theoretical result whose 1948 paper besides quotes them, which together the discovery of the fine structure of hydrogen spectrum (Lamb shift) by W.E. Lamb Jr. and R.C. Retherford in 1947, as well as the corresponding calculations by H.A. Bethe, N.M. Kroll, V. Weisskopf, J.B. French and W.E. Lamb Jr. in the same period, were the main triumphs of testing the new level of QED theoretical understanding with precision experiments. All that was therefore a stimulus for the development of modern QED. These successes had a strong impact in establishing the QFT as a general formal framework for the theory of elementary particles and for our understanding of fundamental interactions. The late 1940s were characterized by a close intertwinement between theory and experiment which greatly stimulated the rise of the new QED. On the theoretical side, a prominent role was gradually undertaken by the new non- Abelian gauge theory proposed by C.N. Yang and R.L. Mills in 1954 as well as by the various relativistic local QFT symmetries amongst which the discrete ones of charge conjugation $(C)$, parity $(P)$ and time-reversal $(T)$ reflection which are related amongst them by the well-known $CPT$ theorem, according to which the product of the these three discrete transformations, taken in any order, is a symmetry of any relativistic QFT (see (Streater and Wightman 1964)). Actually, in contrast to the single transformations $C$, $P$ and $T$, which are symmetries of the electromagnetic and strong interactions only (d’après T.D. Lee and C.N. Yang celebrated work), $CPT$ is a universal symmetry and it is this symmetry which warrants that particles and antiparticles have identical masses as well as equal lifetimes; but also the dipole moments are very interesting quantities for the study of the discrete symmetries mentioned above. #### 3.3.2 Some previous theoretical issues The celebrated 1956 paper of T.D. Lee and C.N. Yang (see (Lee and Yang 1956)) on parity violation, has been an invaluable source of theoretical insights. The paper discusses the question of the possible failure of parity conservation in weak interactions taking into account what experimental evidences existed then as well as possible proposal of experiments for testing this hypothesis. Amongst these last, they discuss, since the beginning, on some experiments concerning polarized proton beams which would have led to an electric dipole moment if the parity violation were occurred. The related important consequences were too discussed, like the proton and neutron EDM, taking into consideration the previous early 1950s experiences made by E.M. Purcell, N.F. Ramsey and J.H. Smith for the proton who made an experimental measurement of the electric dipole moment of the neutron by a neutron-beam magnetic resonance method, finding a value less than $10^{-20}$ $e$-cm ca. in agreement with parity conservation for strong and electromagnetic interactions. Nevertheless, Lee and Yang argued that yet lacked valid experimental confirmations of parity conservation for weak interactions suggesting, to this end, to consider the measure of the angular distribution of the electrons coming from $\beta$ decays of oriented nuclei like those of $Co^{60}$, thing that will be immediately done, with success, by C.S. Wu and co-workers, furnishing a first experimental evidence for a lack of parity conservation in $\beta$ decays. Subsequently, Lee and Yang also argue on the question of parity conservation in meson and hyperon decays, as well as in those strange particle decays having the following features: 1) the strange particle involved has a non-vanishing spin and (2) it decays into two particles at least one of which has a non-vanishing spin or rather it decays into three or more particles. Thus, what conjectured by Lee and Yang could be also applied to the decay processes a) $\pi\rightarrow\mu+\nu$ and b) $\mu\rightarrow e+2\nu$. So, in the sequential decay $\pi\rightarrow\mu\rightarrow e$, starting from a $\pi$ meson at rest, one might study the distribution of the angle $\theta$ between the $\mu$-meson momentum and the electron momentum, the latter being in the center-of-mass system of the $\mu$ meson. The decay b) is then a pure leptonic one, so no hadronic phenomenon is involved, this making easier the related calculations (see (Okun 1986, Chapter 3)). Lee and Yang then argue that, if parity is conserved in neither a) nor b), then the distribution will not in general be identical for $\theta$ and $\pi-\theta$ directions. To understand this, one may consider first the orientation of the muon spin. If a) violates parity conservation, then the muon would be in general polarized along its direction of motion. In the subsequent decay b), the angular distribution problem with respect to $\theta$ is therefore closely similar to the angular distribution problem of $\beta$ rays from oriented nuclei, as discussed before, so that, in this way, it will be also possible to detect possible parity violations in this type of decays. These last remarks on $\pi\mu e$ sequence will be immediately put in practice in the celebrated 1956 experiences pursued by R.L. Garwin, L.M. Lederman with M. Weinrich and by J.L. Friedman with V.L. Telegdi, which will further confirm Lee and Yang hypothesis of parity violation in weak interactions. Following (Sakurai 1964, Chapter 7, Section 2) and (Schwartz 1972, Chapter 4, Section 11), polarized muons slow down and stop before they decay, but depending on the material (graphite, aluminium, etc.) the muon spin direction is still preserved, so we have a source of polarized muons. Negative muons are emitted with their angular momenta pointing along their directions of motion, whereas positive muons are emitted with their angular momenta pointing opposite to their directions of motion. Furthermore, if these positive muons were stopped in matter and allowed to decay, then the direction of this angular momentum (or spin) at the moment of decay could be determined by the distribution in directions of the emitted decay electron which follow the former. If parity is not conserved in muon decay either, then there will be a forward-backward asymmetry in the positron distribution with respect to the original $\mu^{+}$ direction. The just above mentioned experiences showed more positrons emitted backward with respect to the $\mu^{+}$ direction, showing that parity is not conserved in both $\pi$ and $\mu$ decays. As it has said above, Lee and Yang already argued on electric dipole moments in relation to parity conservation law for fundamental interactions, in some respects enlarging the discussion to the general framework of discrete symmetry transformations. To understand about the properties of the dipole moments under the action of such transformations, in particular the behavior under parity and time-reversal, we have to look at the interaction Hamiltonian (4) and, above all, at the equations (6) which both depend on the axial vector $\vec{\sigma}$, so that also $\vec{\mu}_{m}$ and $\vec{d}_{e}$ will be also axial vectors. On the other hand, the electric field $\vec{E}$ and the magnetic one $\vec{B}$ transform respectively as a (polar) vector and as an axial vector. Then, an axial vector changes sign under $T$ but not under $P$, while a (polar) vector changes sign under $P$ but not under $T$. Furthermore, since electromagnetic and strong interactions are the two dominant contributions to the dipole moments, and since both preserve $P$ and $T$, it follows that the corresponding contributions to (4) must conserve these symmetries as well. Indeed, following (Muirhead 1965, Chapter 9, Section 9.2(d)), we have (53) $\displaystyle P\vec{\sigma}P^{-1}=\sigma,\ \ \ \ \ T\vec{\sigma}T^{-1}=-\vec{\sigma},\ \ \ \ \ P\vec{H}P^{-1}=\vec{H},$ $\displaystyle T\vec{H}T^{-1}=-\vec{H},\ \ \ \ \ P\vec{E}P^{-1}=-\vec{E},\ \ \ \ \ T\vec{E}T^{-1}=\vec{E},$ whence it follows that (54) $\displaystyle P(\vec{\sigma}\cdot\vec{H})P^{-1}=\vec{\sigma}\cdot\vec{H},\ \ \ \ \ \ \ \ \ \ T(\vec{\sigma}\cdot\vec{H})T^{-1}=\vec{\sigma}\cdot\vec{H},$ $\displaystyle P(\vec{\sigma}\cdot\vec{E})P^{-1}=-\vec{\sigma}\cdot\vec{E},\ \ \ \ \ \ \ \ \ \ T(\vec{\sigma}\cdot\vec{E})T^{-1}=-\vec{\sigma}\cdot\vec{E}.$ Therefore, as L.D. Landau and Ya.B. Zel’dovich pointed out (see (Landau 1957) and (Zel’dovich 1961)), due to these symmetry rules on $P$ and $T$, the magnetic term $-\vec{\mu}_{m}\cdot\vec{B}$ is allowed, while an electric dipole term $-\vec{d}_{e}\cdot\vec{E}$ is forbidden so that we should have $\eta=0$ in $(6)_{2}$. Now, $T$ invariance (that, by $CPT$ theorem, is equivalent to $CP$ invariance) is also violated by weak interactions, which however are very small for light leptons. Nevertheless, for non-negligible second order weak interactions (as for heavier leptons \- see (Chanowitz et al. 1978) and (Tsai 1981)), an approximate $T$ invariance will require the suppression of electric dipole moments, i.e. $d_{e}\rightarrow 0$. Thus, electric dipole interaction cannot occur unless both $P$ and $T$ invariance breaks down in electrodynamics. Following (Roberts and Marciano 2010, Chapter 1, Section 1.3), P.A.M. Dirac discovered, in 1928, an electric dipole moment term in the relativistic equations involved in his electron theory. Like the magnetic dipole moment, the electric dipole moment had to be aligned with spin, so that we have an expression of the type $\vec{d}=\eta(Q\hbar/2mc)\vec{s}$ (see $(6)_{2}$) where, as already said, $\eta$ is a dimensionless constant which is the analogous to $g_{s}$. Whilst the magnetic dipole moment is a natural property of charged particles with spin, electric dipole moment are forbidden both by parity and time reversal symmetries as said above. Nevertheless, from a historical viewpoint, the search for an EDM dates back to suggestions due to E.M. Purcell and N.F. Ramsey since 1950 who however pointed out that the usual parity arguments for the non-existence of electric dipole moments for nuclei and elementary particles, albeit appealing from the standpoint of symmetry, weren’t necessarily valid. They questioned about these arguments based on parity and tried, in 1957, to experimentally measure the EDM of the neutron through a neutron-beam magnetic resonance method, finding a value for $d$ of about $(-0.1\pm 2.4)\cdot 10^{-20}$ $e$-cm. This result was published only after the discovery of parity violation although their arguments were provided in advance of the celebrated 1956 T.D. Lee and C.N. Yang paper on parity violation for weak interactions. Once parity violation received experimental evidence, other than L.D. Landau, soon after also N.F. Ramsey, in 1958, pointed out that an EDM would violate both $P$ and $T$ symmetries. #### 3.3.3 Further experimental determinations of the lepton AMM A) Some introductory theoretical topics i) On resonance spectroscopy methods. Amongst special devices and techniques of experimental physics, a fundamental role is played by magnetic resonance spectroscopic techniques through which Zeeman level transitions are induced by magnetic dipole radiations by means of the application of an external static magnetic field $\vec{B}$. The spontaneous transitions with $\Delta l=\pm 1$ (electric dipole) are more probable than those with $\Delta l=0$ and $\Delta m=\pm 1$ (magnetic dipole). Nevertheless, the presence of a resonant electromagnetic field increases the latter. With the action of this perturbing field the probability of induced transitions is proportional to the square of the intensity of the electromagnetic field, so that magnetic dipole transitions may be easily induced through suitable radio-frequency (RF) values provided by a RF oscillator with an imposed constant magnetic field which has the main role to select the desired RF frequencies to be put in resonance with the precession ones. As an extension of the original method of the famous Stern-Gerlach experiment, the above mentioned technique was first proposed by I.I. Rabi, together his research group at Chicago around the late 1930s, who made important experiments on atomic beams that, amongst other things, led to the precise determination of the atomic hyperfine structure; in particular, the Lamb shift between hydrogen $2S_{1/2}$ and $2P_{1/2}$ gave an accurate measurement of the electron anomalous magnetic moment. Independently by Rabi’s research group works, also L.W. Alvarez and F. Bloch set up, in 1940, a similar technique. The nuclear magnetic moments have been measured through nuclear magnetic resonance (NMR) techniques that, thanks to relaxation mechanisms which release thermal energy in such a manner to warrant a weak thermal contact between nuclear spins and liquid or solid systems to which they belong, allow to determine fundamental physical properties of the latter. The electron paramagnetic resonance (EPR) or electron spin resonance (ESR) refers to induced transitions between Zeeman levels of almost free electrons in liquids and solids. It has been first observed by E.K. Zavoiskij in 1945 and usually runs into the microwaves frequencies and it has been applied to determine anomalous magnetic moment values. Both in NMR and EPR, in which an external inhomogeneous magnetic field $\vec{B}_{0}$ is acting, the transitions between Zeeman levels are induced by an additional homogeneous alternating weak magnetic field $\vec{B}_{1}$ (for instance, acting upon a $x$-$y$ plane), oscillating transversally to $\vec{B}_{0}$ (for instance, directed along the $z$ axis) with an angular frequency $\omega_{1}$ which may be, or not, in phase with Larmor precession frequency; for instance, if $\vec{B}_{1}$ acts along the $x$ axis, then an induced e.m.f. will be detectable along the $y$ axis. Thanks to the 1949 N.F. Ramsey works, it is also possible to apply a second alternating static magnetic field $\vec{B}_{2}$, even perpendicularly to $\vec{B}_{0}$ (double resonance techniques), and so on (multiple resonance techniques); the possible reciprocal geometrical dispositions of the various involved magnetic fields $\vec{B}_{0},\vec{B}_{1},\vec{B}_{2}$ and so on, give rise to different resonance experimental methods also in dependence on the adopted relaxation methods and related detected times: amongst them, the Bloch decay and the spin echoes. In single resonance techniques, the perturbing alternating field $\vec{B}_{1}$ must be in resonance with the separation between two adjacent Zeeman levels (i.e. with $\Delta m=\pm 1$). The resulting statistical coherence will imply a macroscopic value (roughly $N\mu_{ct}$) quite high to may be detected by a coil, with the symmetry axis belonging in the equatorial plane and, for instance, oriented along the $y$ axis, also thanks to electronic devices which will amplify the initial value. Following (Dekker 1958, Chapter 20), (Kittel 1966, Chapter 16), (Kastler 1976, Part III, Chapter V), (Cohen-Tannoudij et al. 1977, Volume I, Complement $F_{IV}$), (Bauer et al. 1978, Chapters 12 and 13), (Pedulli et al. 1996, Chapters 7, 8 and 9), (Humphreis 1999, Chapter 14), (Bertolotti 2005, Chapter 9) and (Haken and Wolf 2005, Chapter 12), for particles having a non-zero spin, the application of the field $\vec{B}_{0}$ only, implies a torque acting upon the cyclotron (or orbital) magnetic moment $\vec{\mu}_{L}$ so giving rise to two non-zero components, namely a longitudinal component $\vec{\mu}_{cl}$ (directed along $\vec{B}_{0}$) and a transversal one $\vec{\mu}_{ct}$ (belonging to the plane having $\vec{B}_{0}$ as normal vector). This torque will imply too a Larmor precession, with angular frequency given by $\omega_{0}=g(eB_{0}/2mc)$ (for elementary particles with rest mass $m$), that causes a rotation of $\vec{\mu}_{ct}$ in the equatorial plane around the $z$ axis. Nevertheless, in general there is no statistical coherence amongst these transversal components, also due to the thermal excitation. But, as showed by F. Bloch, W.W. Hansen and M. Packard as well as by E.M. Purcell, H.C. Torrey, N. Bloembergen and R.V. Pound in the years 1945-46, the application of a perturbing (alternating) magnetic field $\vec{B}_{1}$, transversally arranged respect to $\vec{B}_{0}$ and usually induced by the passage, along a transmissive spire, of a direct current (DC) into a variable RF oscillator, gives rise to a coherent and ordered precession of the transversal components of magnetic moment when the frequency of the perturbing field, say $\omega_{1}$, is equal to $\omega_{0}$ (magnetic resonance condition or resonance equation); this, in turn, will imply either spin-orbit decouplings as well as resonating Zeeman magnetic level transitions, in agreement with the well-known Bohr’s correspondence principle according to which the concept of quantum level transition should correspond, in the classical electrodynamics, to the periodic variation either of an atomic electric or magnetic moment (in our case, the rotation of $\vec{\mu}_{ct}$ in the equatorial plane). The weak perturbing magnetic field $\vec{B}_{1}$ is usually applied, above all in NMR techniques, in such a manner that its values verify $B_{1}\ll B_{0}$ which nevertheless imply long storage times; often, as in the original (Chicago) I.I. Rabi research group experiences, a second opposed (to $\vec{B}_{0}$) inhomogeneous magnetic field is also applied next to the RF oscillator group, to refocalize the particle beam until the receiver device. In such a manner, a very weak rotating magnetic field is able to reverse the spin direction of the beam particles, whilst $\vec{\mu}_{L}$ precesses (Rabi’s precession), in the rotating frame, about a well-precise ’effective’ magnetic field $\vec{B}_{eff}$, given by the superposition of the various applied magnetic fields, according to particular equations of motion called Bloch’s equations. In dependence on the RF oscillator chosen as an energy source, we have either continuous wave (CW) or pulsed wave (PW) resonance techniques: the intensity of the resulting signal is measured in function of the magnetic field or frequency values for the former and in function of the time for the latter. As we shall see later, the resonance spectroscopy methods have played a fundamental role in determining magnetic ed electric properties of atomic and nuclear systems (see, for instance, (Bloch 1946)): for instance, through a suitable formulation of a resonance condition, it will be possible to experimentally determine the anomalous magnetic moment of elementary constituents as electrons, neutrons, protons and muons. ii) On spin precession motion. Following (Schwartz 1972, Chapter 4, Section 10), (Rich and Wesley 1972, Section 3.1.1), (Cohen-Tannoudij et al. 1977, Volume I, Complement $F_{IV}$), (Ohanian 1988, Chapter 11, Section 11.1), (Kinoshita 1990, Chapter 11, Sections 1-4), (Picasso 1996, Section 2), (Farley and Semertzidis 2004, Section 3) and (Barone 2004, Chapter 6, Section 6.10), a general precession problem is identified by a kinematical equation of the form $d\vec{\Phi}/dt=\vec{\Omega}(t)\wedge\vec{\Phi}$, where $\vec{\Phi}$ is the vectorial quantity that precesses around the given vector $\vec{\Omega}$; for instance, $\vec{\Phi}$ may be a magnetic moment, an angular momentum or the spin, which precesses around the direction given by the force lines of the perturbing field $\vec{\Omega}$ (as, for example, a magnetic field), with angular velocity $\Omega(t)$. The related experienced torque $\vec{\tau}$, is given by $\vec{\Omega}(t)\wedge\vec{\Phi}$. In case of an elementary spinning particle having charge $Q$ and mass $m$, in a (uniform) magnetic field $\vec{B}$, we may put $\vec{\Phi}=\vec{\mu}_{s}$, where $\vec{\mu}_{s}$ is the spin magnetic moment given by $g_{s}Q\mu_{0}\vec{\sigma}/2$ the $(6)_{1}$. In this case, $\vec{\Omega}=k\vec{\mu}_{s}=(gQ/2mc)\vec{\mu}_{s}$, so that we have, in the particle rest frame, the following Larmor precession equation $d\vec{\mu}_{s}/dt=k\vec{\mu}_{s}\wedge\vec{B}$ (see (Cohen-Tannoudij et al. 1977, Volume I, Complement $F_{IV}$), (Bloch 1946, Equation (11)) and (Bargman et al. 1959, Equation (3))) related to the precession of $\vec{\mu}_{s}(t)$ around $\vec{B}$; $\vec{\sigma}$ is said to be the polarization vector. The relativistic generalization of the last precession equation will lead to the so-called Bargman-Michel-Telegdi equation (see (Bargman et al. 1959)). Following (Gottfried 1966, Chapter VI, Section 49), for beams of elementary particles, said $\vec{\sigma}$ the Pauli operator whose components are the Pauli matrices, the beam polarization is defined to be $\langle\vec{\sigma}\rangle$ and shall often be written as $\vec{P}$; it is zero for an incoherent and equal mixture of $|1/2\rangle$ and $|-1/2\rangle$, whereas $|\vec{P}|=1$ for pure spin states. B) The first experimental determinations of the electron AMM Following (Kusch 1956), (Rich and Wesley 1972), (Crane 1976), (Farley and Picasso 1979), (Combley et al. 1981), (Kinoshita 1990, Chapters 8 and 11) and (Jegerlehner 2008, Part I, Chapter 1) and as it has already said above, P. Kusch and H.M. Foley, in November 1947, measured $a_{e}$ for the electron with a precision of about 5%, obtaining the value $a_{e}=0.00119(5)=0.00119\pm 0.00005$ at one standard deviation. The establishment of the reality of the anomalous magnetic moment of the electron and the precision determination of its magnitude, was part of an intensive programme of postwar research with atomic and molecular beams which seen actively involved P. Kusch at Columbia, together to I.I. Rabi research group. All that was crowned by success with the assignment of Nobel Prize for Physics in 1955, shared with W.E. Lamb, whose related Nobel lecture is reprinted in (Kusch 1956). Other attempts to estimate the anomalous magnetic moment either of the electron and of the proton were carried out by J.H. Gardner and E.M Purcell in 1949 and 1951, by R. Karplus and N.M. Kroll in 1950, by S.H. Koenig, A.G. Prodell with P. Kusch in 1952, by R. Beringer with M.A. Heald and by J.B. Wittke and R.H. Dicke in 1954, by P.A. Franken and S. Liebes Jr. in 1956 as well as by W.A. Hardy and E.M. Purcell in 1958, in any case reaching to an accuracy of about 1% for the various anomalous moment values. The Gardner and Purcell experiments (see (Gardner and Purcell 1949) and (Gardner 1951)) introduced, for the first time, a new experimental method to determine $a_{e}$, based on a comparison of the cyclotron frequency of free electrons with the nuclear magnetic resonance (NMR) frequency of protons, so opening the way to the application of resonance techniques to measure the lepton anomalous moments on the wake of the pioneering Rabi’s molecular beam resonance method for measuring nuclear magnetic moments (see (Rabi et al. 1938, 1939)) recalled above. To be precise, an experimental determination of the ratio of the precession frequency of the proton, $\omega_{p}=\mu_{p}H_{0}$, to the cyclotron frequency, $\omega_{e}=eH_{0}/mc$, of a free electron in the same magnetic field, was carried out. The result, $\omega_{p}/\omega_{e}$, is the magnitude of the proton magnetic moment, $\mu_{p}$, in Bohr magnetons $\mu_{0}$. Finally, by the comparison between $\mu_{p}/\mu_{0}$ and $\mu_{e}/\mu_{p}$, it was possible to determine $\mu_{e}/\mu_{0}$. Possible sources of systematic error were carefully investigated and in view of the results of this investigation and the high internal consistency of the data, it was felt that the true ratio, uncorrected for diamagnetism, lie within the range $\omega_{e}/\omega_{p}=657.475\pm 0.008$. If the diamagnetic correction to the field at the proton for the hydrogen molecule was applied, the proton moment in Bohr magnetons became $\mu_{p}=(1.52101\pm 0.00002)\times 10^{-3}(e\hbar/2mc)$. In (Koenig et al. 1952), the ratio of the electron spin $g_{e}$ value and the proton $g_{p}$ value was measured with high precision. It was found that $g_{e}/g_{p}=658.2288\pm 0.0006$, where $g_{p}$ is the $g$ value of the proton measured in a spherical sample of mineral oil. This result, when combined with the previous measurement by Gardner and Purcell of the ratio of the electron orbital $g_{e}$ value and the proton $g_{p}$ value, yielded for the experimental value of the magnetic moment of the electron $\mu_{s}=(1.001146\pm 0.000012)\mu_{0}$. The result was in excellent agreement with the theoretical value calculated by Karplus and Kroll, namely $\mu_{s}=(1.0011454)\mu_{0}$. However, all these methods were related to electrons bound in atoms, this implying, amongst other things, a lower accuracy level due to the corrections necessary to account for atomic binding effects. Thus, anomalous moment experimental determinations on free electrons were more suitable. Following (Rich and Wesley 1972), (Kinoshita 1990, Chapter 8), in the years 1953-54, H.R. Crane, W.H. Louisell and R.W. Pidd at Michigan, for the first time, determined $a_{e}$ for free electrons from measurements of $g-2$ (not $g$ itself) by means of the precession of the electron spin in a uniform magnetic field, obtaining the result $g=2.00\pm 0.01$, that is to say, $g$ must be within 10% of 2.00. They introduced, on the basis of the previous basic work made by N.F. Mott in 1930s, a new pioneering technique which will be later called the $(g-2)$ precession method, so opening the way to the precession methods for determining lepton g factors. Following (Louisell et al. 1954), (Hughes and Schultz 1967, Chapter 3), (Rich and Wesley 1972), (Combley and Picasso 1974) and (Crane 1976), we briefly recall the main stages which led to the experimental methods for measuring the magnetic moment of the free electron according to this $(g-2)$ precession method. A first attempt was based, after a N.H. Bohr argument252525Arguing upon the unobservability of the magnetic moment of a single electron on the basis of the well-known Heisenberg indetermination principle. Therefore, we must consider a statistical approach in such a manner that the average behavior of the spins of a large ensemble of particles can be treated, to a large extent, as a classical collection of spinning bar magnets., on a statistical fashion of the well-known 1924 Stern- Gerlach experiment on the atomic magnetic moments, applied to free electrons and consisting in sending a large number of electrons through a magnetic field and by attempting to use the detailed line shape to reveal the effects of the magnetic moment. Nevertheless, such a method appeared particularly unpromising in connection to a precise solution to the electron moment problem. A second attempt, instead, was based on the previous 1929 N.F. Mott double-scattering method for studying the polarization of particles beams. The Louisell, Pidd and Crane principle of the method employed a Mott double-scattering method roughly consisting in producing polarized electrons by shooting high-energy electrons upon a gold foil; hence, the part of the electron bunch which is scattered at right angles, is then partially polarized and trapped in a constant magnetic field where spin precession takes place for some time. The bunch is afterwards released from the trap and allowed to strike a second gold foil, which allows to analyze the relative polarization. To be precise, this method depend on the fact that a beam of electrons is partially polarized along a direction normal to the plane defined by the incident beam and the emerging scattering direction. Furthermore, a second scattering process exhibited an azimuthal asymmetry in scattering intensity, if measured in the same plane, mainly due to polarization perpendicular to the plane of the incident and scattered beams. Mott defined the amplitude of this asymmetry as $\delta$ and provided some its estimates. To explain this effect, both on the basis of the above Bohr’ argument and in taking into account the Stern-Gerlach results, Mott put forward the hypothesis that electron spins had to be thought of as precessing around the direction of a magnetic field rather than as aligned parallel or anti-parallel to this, like in the Stern-Gerlach experiment262626Following (Miller et al. 2007) and (Roberts and Marciano 2010, Chapter 1), the study of atomic and subatomic magnetic moments began in 1921 first with a paper by O. Stern then with the famous 1924 O. Stern and W. Gerlach experiment in which a beam of silver atoms was done pass through a gradient magnetic field to separate the different magnetic quantum states. From this separation, the magnetic moment of the silver atom was determined to be one Bohr magneton $\mu_{0}$ within 10%. This experiment was carried out to test the Bohr-Sommerfeld quantum theory. In 1927, T.E. Phipps and J.B. Taylor repeated the experiment with a hydrogen beam and they also observed two bands from whose splitting they concluded that, like silver, the magnetic moment of the hydrogen atom was too one $\mu_{0}$. Subsequently, in 1933, R.O. Frisch and O. Stern determined the anomalous magnetic moment of the proton, while in 1940, L.W. Alvarez and F. Bloch determined the anomalous magnetic moment of the neutron, and both turned out to be quite different from the value 2, because of their internal structure.. Therefore, the asymmetry observed along the second scattering should be due to this precession because, if the spin were aligned parallel and anti-parallel to the direction of a magnetic field parallel to the beam incident on the scatterer of the experimental apparatus, then it would be enough to apply a weak magnetic field to remove such an asymmetry effect. In this sense, the spin had to be meant as a physical observable rather than a mathematical device (d’après Pauli). Furthermore, since this 1954 Louisell-Pidd-Crane method essentially requires a simultaneous measurement of the electron position and of a single spin component, it follows that the uncertainty principle is not violated. Crane says that Mott’s way out of his dilemma was, perhaps, the first break toward thinking of electrons as precessing magnets. Nevertheless, this far seeing Mott’s hint didn’t took by nobody at that time until the 1953-54 pioneering works of Louisell, Pidd and Crane. They extended this Mott double-scattering method inserting, between the first and second scatterers, a constant magnetic field, parallel to the path to the path between the scatterers, in the form of a magnetic mirror trap which permitted the electrons to undergo several hundred $(g-2)$ precessions between scatterings. This causes the electron to precess and rotates the polarization plane of maximum asymmetry after the second scattering no longer coincides with the plane of the first scattering. By measuring the angle of rotation and knowing the magnetic field, the electron energy and the distance, the gyromagnetic ratio for the electron may be found. A fact which had a dominating influence was that the orbital, or cyclotron, angular frequency of the electron in the magnetic field differs from the angular frequency of precession of the spin direction although in higher-order correction terms, these respectively being given by $\omega_{o}=eB/(2mc)$ and $\omega_{s}=g(eB/(2mc))$ with $g=2(1+\alpha/2\pi+...)$ (d’après Schwinger). This fact turns out to be useful to determine $g$ whose value may be therefore determined from a direct comparison of the rotation of the plane of polarization and the cyclotron rotation. Moreover, all observed asymmetries in the beam, whether they are associated with the spin or not, rotate around together, so that it was needed for discriminating amongst them. Certain sources of asymmetry have nothing to do with the polarization effect notwithstanding they follow the polarization asymmetry itself as it rotates around. However, Louisell, Pidd and Crane were able to determine and isolate the non-spin asymmetry, mainly due to scattering nonlinearities, from spin asymmetry that was experimentally detected with very small measurement errors. Due to the action of the Lorentz force, if $\phi_{c}$ (or $\phi_{o}$) is the cyclotron (or orbital) rotation angle between scatterers, $\phi_{d}$ is the sum of deflection angles at entry and exit to the solenoid field, and $\phi_{s}$ is the angle through which the spin asymmetry was rotated relative to the direction of the beam before entry into the solenoid field, then an estimate to $g$ is given by $2(\phi_{s}-\phi_{d})/\phi_{c}$, whose experimentally detected values were reported in Table I of (Louisell et al. 1954), computed at different values of $B$. Nevertheless, Louisell, Pidd and Crane concluded that the precision of which their method is capable (they obtained an accuracy of 1%) was not enough to reveal the correction to the $g$ factor at about one part in a thousand, so that their result wasn’t sufficiently precise to be useful in comparison with the theoretical prediction. Meanwhile, or in parallel, the results so found have been ascertained to be coherent with Dirac theory of electron by H. Mendlowitz with K.M. Case, who also calculated the possible effects of a uniform magnetic field on a Mott double-scattering experiment showing that they can be used to measure $a_{e}$ as in the Louisell-Pidd-Crane experience. Coherence with Dirac theory also came from a previous 1951 work of H.A. Tolhoek and S.R. De Groot which concerned another parallel research area on hyperfine structures oriented towards precision measurements on $g$ of the free electron; the latter proposed, in 1951, a scheme in which a magnetic field and a RF field were interposed between the first and second Mott scatterers, and in which destruction of the asymmetry indicated resonance. A notable research group based at the University of Columbia and directed by I.I. Rabi since 1940s, followed another line of attack to measure the gyromagnetic ratio for the free electron, based upon the magnetic resonance method, proposing new experiments in two somewhat different forms respect to the previous research line based on Mott scattering method. In both these forms, polarized electrons are trapped in stable orbits into a magnetic field. A radio-frequency (RF) perturbing field is then applied and the frequency which destroys the polarization is determined. From the frequency which destroys the polarization and the strength of the magnetic field, the value of the gyromagnetic ratio is obtained. Since 1956, H.G. Dehmelt group at Washington demonstrated that spin- exchange collisions between oriented sodium atoms and free, thermal energy electrons could be used to measure $a_{e}$ via a direct RF resonance technique, so contributing to the first determinations of the free electron anomalous magnetic moment. The two above mentioned methods mainly differ in the way in which the electrons are polarized, giving priority to trapping, and in the way in which the presence or absence of polarization is determined after the application of the magnetic or RF perturbing field and the subsequent escaping from the trapping phase carried out by the latter. The essence of the method consists essentially in finding the frequency of the feeble beat between the rotation of the spin direction (in the trap or well) and the orbital, or cyclotron, rotation when the particles are trapped in a well-determined magnetic well. Afterwards, a careful determination of electron energies as well as a precise control of fields and potentials are also demanded. Forerunners of resonance methods, other than the above mentioned one, may be also retraced in some previous experiences made by R.H. Dicke and F. Bloch in the early 1940s. In any case, following (Louisell et al. 1954), in both methods in which resonance is involved, the strong coupling to the cyclotron motion due to the fact that the required perturbing frequency is almost identical to the cyclotron one with consequent transfer of energy from the perturbing field to the cyclotron motion, might introduce serious difficulties in order to achieve the right accuracy with the increasing of the cyclotron revolutions. Furthermore, it is very difficult to control the particle while it is into the trap inside which it oscillates (along the $Z$ direction, parallel to the perturbing field). Nevertheless, Louisell, Pidd and Crane state that the magnetic resonance methods, together their experimental extension to the Mott double-scattering method, seem to be the only ones272727Besides some other experimental attempts to get polarized beams of electrons, by F.E. Myers and R.T. Cox as well as by E. Fues and H. Hellman, at the end of 1930s. able to give really quantitative results of sufficient accuracy to reveal the correction to the electron moment. Some problems occur when we consider electrons and positrons which both require to be previously polarized: for the former, the above mentioned Mott scattering method is used, while for the latter, a suitable radioactive source is used for their initial polarization whereas the final one is found through a clever scheme first proposed by V.L. Telegdi (see …. (Grodzins 1959) and references therein). As regards muons, instead, this last problem does not subsist since them born already polarized and reveal their final polarization through the direction of the related decay products. Following (Crane 1976) and (Hughes and Schultz 1967, Chapter 3, Section 3.5.3.1), in 1958, P.S. Farago proposed a method282828Besides also quoted by (Bargmann et al. 1959, Case (E))). for comparing the orbital and the spin precession of electrons moving in a magnetic field, which will turn out to be useful to directly measure radiative corrections to the free-electron magnetic moment. Indeed, the Farago’s principle of the method consisted in considering initially polarized electrons, emitted by a $\beta$ active source and moving perpendicular to a strong uniform magnetic field $\vec{B}$, hence using a Mott scattering for analysis. A uniform weak vector field $\vec{E}$ is also applied perpendicularly to $\vec{B}$ in such a manner that the beam walks enough to miss the back of the source of the first turn. The beam continues walking towards right for a distance almost equal to the orbital diameter. After the order of about some hundreds of revolutions, it then encounters a Mott scattering foil at which the final direction of polarization perpendicular is determined from the intensity asymmetry in the direction perpendicular to the orbit plane. If the final polarization direction is measured as a function of the transit time between source and target (consisting of about 250 orbital revolutions or turns), then a sine curve is obtained whose frequency is equal to the difference between the spin precession frequency and the orbital frequency of the circulating electrons. To the extent that $E/B\ll 1$ (electron trochoidal motion), this difference frequency is proportional to $(\mu_{e}/\mu_{0}-1)=g/2-1=a_{e}$, so that the Farago’s method measures directly the radiative correction to the free electron magnetic moment $\mu_{e}$, hence $a_{e}$ (see (Farago 1958)). The Farago’s method was later improved and experimentally realized by his research group at the University of Edinburgh (see (Farago et al. 1963)); it constituted, at that time, the first method that allowed a continuous measurement rather than by pulses. Nevertheless, the Farago’s method couldn’t compete in accuracy with experiments in which the particles are trapped and allowed to make a far larger number of revolutions. In any case, its principle of the method, in some respects, has preempted certain basic methods underpinning some later storage techniques (amongst which the one based on polynomial magnetic fields). Other determinations of $a_{e}$ were later realized, in the early 1960s, by D.T. Wilkinson, D.F. Nelson, A.A. Schupp, R.W. Pidd and H.R. Crane (Michigan group) even improving their principle of the method of 1954 and mainly based upon the remark that, if polarized electrons were caused to move with their velocities perpendicular to a uniform magnetic field, then, at a fixed azimuth on the cyclotron orbits, one would observe the polarization precessing at a rate equal to the difference between the spin precession rate ($\omega_{s}$) and the orbital cyclotron rate ($\omega_{c}$), just this difference precession rate (anomalous or spin-cyclotron-beat frequency $\omega_{a}=\omega_{s}-\omega_{c}$) being directly proportional to $a_{e}$. This method will be generically called the (Michigan) principle of $(g-2)$ spin motion, or simply spin precession method (or also free-precession method), and will lead to the next basic equation (59). Following (Rich and Wesley 1972) and (Crane 1976), meanwhile the spin precession methods were further pursued as a result of the pioneering works made by the above Michigan group, other techniques were employed to approach $g-2$, above all for electrons. As it has already said above, H.A. Tolhoek and S.R. De Groot proposed, since 1951, a scheme in which a magnetic field, coupled with a RF field, would be interposed between the first and the second Mott scatterers, even if themselves were aware that such an apparatus wasn’t able to provide enough cycles of the spin precession to give a well defined frequency, mainly because of the absence of a trap. In 1953, F. Bloch proposed a novel resonance-type experiment to measure $a_{e}$ using electrons occupying the lowest Landau level in a magnetic field. In the years 1956-58, H.G. Dehmelt performed an experiment in which free thermal electrons in argon buffer gas, at the mean temperature of 400${}^{o}K$, become polarized in detectable numbers by undergoing exchange collisions with oriented sodium atoms during which the atom orientation is transferred to the electrons. Such collisions establish interrelated equilibrium values among the atom and the electron polarizations which depend on the balance between the polarizing agency acting upon the atoms (optical pumping) and the disorienting relaxation effects acting both on atoms and electrons. When the electrons were furthermore artificially disoriented by gyromagnetic spin resonance, an additional reduction of the atom polarization ensued, which was detected by an optical monitoring technique (with an optical pumping cell rather than a quadrupole trap), so allowing to the determination of the free-electron spin $g$ factor and opening the way to experimentally use the so-called Penning trap consisting of a uniform axial magnetic field $\vec{B}=B_{0z}\hat{z}$ and a superimposed electric quadrupole field generated by a pair of hyperbolic electrodes surrounding the storage region. The magnetic field confines the electrons radially, while the electric field confines them axially. The essential novel feature of the this Dehmelt’s techniques consisted, following an idea of V.L. Telegdi and co-workers (see (Ford et al. 1972)), in the fact that a RF induced pulse (or beat) frequency, rather than a spin precession frequency, was the main responsible to rotate the polarization. The principle of the method is quite similar to the known spin echoes of E.L. Hahn (1950) in which an intense RF power in the form of pulses is applied to an ensemble of spins in a large static magnetic field. The frequency of the pulsed RF power is applied through a RF current circulating in a wire stretched along the center axis of the trapping chamber, producing lines of force that are circles concentric with the orbits. If the RF is held on for the right length of time, then the polarization is turned from the plane perpendicular to the applied magnetic field towards the direction parallel to it. Afterwards, it comes back again if the RF pulse is held on twice as long, just like spin echoes. Following (Gräff 1971), (Rich and Wesley 1972) and (Holzscheiter 1995), the precision measurements of lepton $g$-factor anomalies can be classified as being either precession experiments and resonance experiments in dependence on the technique employed, in both of which the main involved problem being that concerning the trapping of polarized charged particles. The main dynamical features of the problem are as follows: the momentum $\vec{p}$ of the particle, which is exactly perpendicular to $\vec{B}$, revolves with the cyclotron (or orbital) angular frequency $\omega_{c}=QB/mc$, the spin precesses about $\vec{B}$ with Larmor angular frequency $\omega_{s}=(1+a_{l})\omega_{c}$ with $a_{l}=(g-2)/2$, while the difference between these angular frequencies is the one at which the spin rotates about the momentum, that is to say $\omega_{a_{l}}=\omega_{s}-\omega_{c}=a_{l}QB/mc=\theta/T$ where $\theta$ is the angle between spin and momentum and $T$ the time. Consequently, to get the lepton anomaly $a_{l}$, it is thus necessary to measure the quantities $\omega_{a_{l}}$ and $B$, assuming $Q/mc$ to be known. Thus, we have $a_{l}=\omega_{a_{l}}/\omega_{c}$ (see also (Kinoshita 1990, Chapter 11, Section 4.1, Equation (4.8)). If the particle velocity has a small angle relative to the orbital plane $x$-$y$ of motion particle, then the particle will follow a spiral path, along the axial direction given by the $z$-axis, with pitch angle $\psi$, spiralling in the main (not necessarily constant) magnetic field $B_{z}$; the $(g-2)$ frequency is consequently altered. In any real storage system, the pitch angle is corrected by suitable vertical focusing forces which prevent the particles to be lost. Furthermore, the pitch angle changes periodically between positive and negative values, so that the correction to the $(g-2)$ frequency become more complex. All the $(g-2)$ experiments for electrons and muons are in principle subject to a pitch correction and, as we will see later, this problem will be successfully overcome, for the first time, with the introduction of the so-called polynomial magnetic fields. An arbitrary experiment which attempts to measure the anomalous magnetic moment of a free lepton necessarily encounters the following problems: a) trapping of the particle; b) measurement of the trapping field either by nuclear magnetic resonance (NMR) or by measuring $\omega_{s}$ or $\omega_{c}$; c) polarization of the spin of the particle; d) determination of the anomaly frequency either i) by detection of the spin polarization vector relative to the momentum vector of the particle as a function of the time in a magnetic field, calling this type of experiment a geometrical experiment292929Roughly corresponding to the above precession experiment type., or, alternatively, ii) by induction and detection of the relevant RF transition $\omega_{s}$ and $\omega_{c}$ or, if possible, $\omega_{s}$ or $\omega_{c}$ and the difference angular frequency $\omega_{a}$ directly, calling this type of experiment a RF spectroscopic experiment303030Roughly corresponding to the above resonance experiment type.. To trap particles, it has been used: 1) the magnetic bottle method consisting in imposing a homogeneous magnetic field with a superimposed relatively weak inhomogeneous magnetic field as first used by the above mentioned Michigan group; 2) a RF quadrupole trap starting from the first studies on electric quadrupole mass separator made by F. v. Bush, W. Paul, H.P. Reinhard with U. v. Zahn and by E. Fisher, in the 1950s, for separating isotopes. To detect the ions, a resonance detection technique is used, taking advantage of the fact that for given parameters of the trap each charge-to-mass ratio exhibits a certain unique ”eigenfrequency”. In addition to the radio-frequency quadruple field, a RF dipole field at the frequency $\omega_{res}$ is applied as well to the end caps. If through proper choice of the parameters $a$ and $q$, respectively representing the amplitudes of the RF component and the direct current (DC) component of the quadruple field, the ions are brought to resonance with this dipole field, then the amplitude of the ion motion is increased, absorbing energy from the drive field, and can be detected. The important fact is that different ions will have different frequencies for a given set of $a$ and $q$, or, that at a fixed frequency, one can bring all different ion species to resonance subsequently by slowly varying the DC potential at a constant RF amplitude. This made the quadruple trap an ideal tool for precision mass spectrometry or residual gas analysis, areas in which RF traps have gained high respect over the last decades. At first glance, the RF drive field seems to be a disturbance to the system, and in effect it is. Due to the continuously applied drive force stored particles are heated permanently, leading to 2nd order doppler broadening of spectral lines. This effect can be counteracted by cooling mechanisms, either collisions with residual gas molecules, or far more powerful and selective than this, by laser cooling. Nevertheless, due to this ”micromotion”, the Paul’s research group trap has always been a second choice respect to the so-called Penning trap if one desired an ultrahigh precision work. Based on this last new device, dating back to the late 1930s F.M. Penning works, D.H. Dehmelt group at Seattle (Washington), P.S. Farago group at Edinburgh and G. Gräff group at Bonn/Mainz have performed various electron $g-2$ experiments. As concerns, instead, the polarization problem, in experiments of geometrical type, polarized muons are produced by the forward decay of pions, polarized electrons by Mott double- scattering and polarized positrons by beta decays, while, as regards experiments of RF spectroscopic type, electrons are polarized by means of spin exchange with a polarized atomic beam as well as electrons of low energy are created in pulses in a high magnetic field. Finally, as regards the determination of the lepton anomaly, in the geometrical experiments the angle $\theta$ between the spin vector and momentum of the particle is measured at a fixed orbital point as a function of time. The polarization of electrons is detected by Mott double-scattering, the polarization of positrons by exploiting the spin dependence by ortho- and para-positronium formation, whilst the muon polarization is measured using the fact that in the rest frame, the decay electrons are preferentially emitted along the spin direction. As the momentum of a particle in a magnetic bottle is no longer perpendicular to the magnetic field, the Bargmann-Michel-Telegdi (BMT) formula for $\omega_{a}$ (see (Bargmann et al. 1959, Equation (9))) has to be used. Instead, in the RF spectroscopic measurements, the transition at frequency $\omega_{a}$ has to be induced and observed. Nevertheless, this level transition corresponds to a combination of a magnetic and electric dipole transition with $\Delta n=\pm 1$ and $\Delta m_{s}=\pm 1$ at the same time313131For instance, a quantum state transition from $|n,m_{s}=-1/2\rangle$ to $|n-1,m_{s}=+1/2\rangle$ is forbidden being a second order (two-photon) transition because it involves a simultaneous change of the spin quantum number ($m_{s}$) and of the orbital (or cyclotron) quantum number ($n$). But, with a proper choice of the electromagnetic configuration by means of the application of a suitable perturbing field, this transition can be driven.; such a transition if forbidden to first order, but it can be enforced by an inhomogeneous magnetic RF field which, in turn, necessarily must be accompanied by a homogeneous magnetic RF field. This last field, nevertheless, may produce line shifts and line asymmetries. Furthermore, the transition at frequency $\omega_{a}$ involves a jump from one cyclotron orbit to another with a spin flip at the same time; likewise for the induction of the Larmor frequency. The main limitations of RF spectroscopic experiments lie just in this transition prohibition and in the presence of unwanted homogeneous magnetic RF fields; another limitation is also provided by the limited energy of the trapped particles. In conclusion, the principle of the method of almost all $g-2$ experiments roughly consists in measuring the interaction between the magnetic moment of the particle and a homogeneous magnetic field superimposed by an inhomogeneous magnetic or electric trapping field. The latter, nevertheless reduces the accuracy of the experiments which may be improved decreasing the relative inhomogeneity even if, for technical reasons, this is not possible in the $g-2$ experiments of the muons through further substantial increase of the homogeneous magnetic field. Therefore, to sum up (following (Rich and Wesley 1972)), the precession experiments include measurements of the electron, positron and muon anomalies, the distinguishing feature of these experiments (as those made at Michigan for electrons and at CERN for muons) being a direct observation of the spin precession motion of polarized leptons in region of static magnetic field. The resonance technique instead has mainly been used to measure lepton anomaly (prior to electrons), its characteristic feature being the presence of an oscillating electromagnetic field used to induce transitions between the energy eigenstates of a lepton interacting with a static magnetic field by applying a microwave field at the spin precession frequency $\omega_{c}$ and subsequently a RF field at the spin-cyclotron difference frequency $\omega_{a}$. c) Towards the first experimental determinations of muon AMM In the same period in which the above mentioned electron AMM determinations were achieved, many further experimental evidences were also accumulated in confirming that the muon behaved as a heavy electron of spin $1/2$, so that the former were taken as models to set up possible experiences for the latter. But, before to outline these, what were the theoretical motivations underlying the researches towards muon? In 1956, V.B. Berestetskii, O.N. Krokhin and A.X. Klebnikov, in providing, through processes involving photons and leptons, a sensitive test of the limit for the (R.P. Feynman) UV cut-off (or QED- breaking) $\Lambda_{l}$, which represents a measure for the distance at which QED breaks down, pointed out that the measurement of the muon anomalous magnetic moment could accomplish this in a more sensitive manner than that of the electron. Indeed, if one supposes that the muon is not completely point- like in its behavior, but has a form factor323232The dependence on $q^{2}$ of the form factors, experimentally enables us to get information about charge radial distributions and magnetic moments of charged leptons (see (Povh et al. 1995, Part I, Chapter 6, Section 6.1)). For instance, for a generic Dirac particle, we have $F(q^{2})=1$. $F_{\mu}(q^{2})=\Lambda_{\mu}^{2}/(q^{2}+\Lambda_{\mu}^{2})$, then it can be show that an expression for the sensitivity of $a_{\mu}$ is given by (55) $\frac{\delta a_{\mu}}{a_{\mu}}=-\frac{4m_{\mu}^{2}}{3\Lambda_{\mu}^{2}}$ which may be generalized for leptons as follows (56) $\frac{\delta a_{l}}{a_{l}}\sim\frac{m_{l}^{2}}{\Lambda_{l}^{2}},\ \ \ \ \ \ l=e,\mu,\tau.$ Berestetskii, Krokhin and Klebnikov emphasized that the high muon mass could imply a significant correction to $a_{\mu}$ even when $\Lambda_{\mu}$ is large. Therefore, due to its high mass, the muon allows to explore very small distances (of the order of $10^{-15}$ cm) because of the simple fact that $q^{2}\sim m$ and the higher it is the momentum $q^{2}$, the higher it is the energy involved and, therefore, the shorter it is the involved distance scale due to uncertainty principle. Furthermore, mainly because of the vastly different behavior of the three charged leptons mainly due to the very different masses $m_{l}$ implying completely different lifetimes $\tau_{e}\simeq\infty$ and $\tau_{l}=1/\Gamma_{l}\varpropto 1/(G_{F}^{2}m_{l}^{5})\ l=\mu,\tau$, as well as vastly different decay patterns, it was clear that the anomalous magnetic moment of the muon would be a much better probe for possible deviations from QED. In 1957, J. Schwinger thought that the muon could have an extra interaction which distinguished it from the electron and gave it its higher mass. This could be a coupling with a new massive field or some specially mediated coupling to the nucleon. Whatever the source be, the new field would have had its own quantum fluctuations, and therefore gives rise to an extra contribution to the anomalous moment of the muon. Thus, the principle of $(g-2)$ spin motion was also recognized as a very sensitive test of the existence of such fields and potentially a crucial signpost to the so-called $\mu-e$ puzzle (see later). But, at that time, there wasn’t any possibility to descry some useful principle of the method for pursuing this333333For instance, the parity violation of weak interactions was not yet known at that time., so that nobody had an idea how to measure $a_{\mu}$. Albeit the $(g-2)$ spin motion principle will turn out to be, a priori, very similar to those later developed to measure $a_{\mu}$, nevertheless it was immediately realized that handling the muons in a similar way was impossible, and this raised the difficult task of how to may polarize such short lived particles like muons, in comparison with the long lifetimes of electrons which allowed to measure $a_{e}$ directly by atomic spectroscopy in magnetic fields. As we shall see later, this was pursued, for the first time, by the pioneering works of the first CERN research groups on $g-2$ since the late 1950s, above all thanks to new magnetic storage techniques set up just to this end. Nevertheless, behind this last pioneering research work, there was a great and considerable previous work of which a brief outline we are however historically obliged to remember. The principle of the method of the Michigan group experiments has been applied to determine the muon $g$-factor in some experiments performed, since the middle 1950s, by a notable research group of the Columbia University headed by L.M. Lederman in the wake of the previous work of his maestro I.I. Rabi (see (Lederman 1992)). In 1958, T. Coffin, R.L. Garwin, S. Penman, L.M. Lederman and A.M. Sachs (see (Coffin et al. 1958)) made a RF spectroscopic experiment with stopped muons in which the magnetic moment of the positive $\mu$ meson was measured in several target materials by means of a solid-state nuclear magnetic resonance technique with perturbing RF pulses. Muons were brought to rest with their spins parallel to a magnetic field. A radio-frequency (RF) pulse was applied to produce a spin reorientation which was detected by counting the decay electrons emerging after the pulse in a fixed direction. The experimental results were expressed in terms of a $g$-factor which for a spin 1/2 particle is the ratio of the actual moment to $e\hbar/2m\mu c$. The most accurate result obtained in a $CHBr_{3}$ target, was $g=2(1.0026\pm 0.0009)$ compared to the theoretical prediction of $g=2(1.0012)$, while less accurate measurements yielded $g=2.005\pm 0.005$ in a copper target and $g=2.00\pm 0.01$ in a lead target. After the well-known above mentioned 1956 proposal of parity violation in weak transitions by T.D. Lee and C.N. Yang, it was immediately realized that muons produced in weak decays of the pion $\pi^{+}\rightarrow\mu^{+}+\nu_{\mu}$ (see Section 1) could be longitudinally polarized, while the decay positron of the muon $\mu^{+}\rightarrow e^{+}+2\nu_{\mu}$343434Only after 1960, it was ascertained that $\nu_{\mu}\neq\bar{\nu}_{\mu}$, whereupon we might more correctly write $\mu^{+}\rightarrow e^{+}+\nu_{\mu}+\bar{\nu}_{\mu}$ (see Section 1). could indicate the muon spin direction. This was confirmed by R.L. Garwin, L.M. Lederman and M. Weinrich (see (Garwin et al. 1957)), as well as by J.I. Friedman and V.L. Telegdi (see (Friedman and Telegdi 1957)), in the same year of353535For technical reasons, the paper of Friedman and Telegdi was delayed to the Physical Review Letters issue next to the one in which was published the paper of Garwin, Lederman and Weinrich, notwithstanding both papers were received almost contemporaneously, the former on January 17, 1957 and the latter on January 15, 1957. Nevertheless, following (Cahn and Goldhaber 2009, Chapter 6), the Friedman and Telegdi emulsion experiment at Chicago was started before others but has employed more time to be completed because of the laborious scanning procedure. 1957\. The first researchers, who achieved an accuracy of 5%, started from certain suggestions, made in the remarkable works of T.D. Lee, R. Oehme and C.N. Yang, according to which their hypotheses on violation of $C$, $P$ and $T$ symmetries had to be sought in the study of the successive reactions $1)\ \pi^{+}\rightarrow\mu^{+}+\nu_{\mu}$ and $2)\ \mu^{+}\rightarrow e^{+}+\nu_{\mu}+\bar{\nu}_{\mu}$. To be precise, they pointed out that the parity violation would have implied a polarization of the spin of the muon emitted from stopped pions in the first decay reaction along the direction of the motion; furthermore, the angular distribution of electrons in the second decay reaction could serve as an analyzer for the muon polarization. Moreover, in a private communication, Lee and Yang also suggested to Garwin, Lederman and Weinrich that the longitudinal polarization of the muons could offer a natural way of determining their magnetic moment, partial confirmations of the validity of this idea having already been provided by the preliminary results of the celebrated C.S. Wu and co-workers experiments on $Co^{60}$ nuclei. By stopping, in a carbon target puts inside a magnetic shield, the polarized $\mu^{+}$ beam formed by forward decay in flight of $\pi^{+}$ mesons inside the cyclotron, Garwin and co-workers established the following facts: i) a large asymmetry was found for electrons in 2), establishing that the $\mu^{+}$ beam was strongly polarized; ii) the angular distribution of the electrons was given by $1+a\cos\theta$ where $\theta$ was measured from the velocity vector of the incident muons, founding $\theta=100^{o}$ $a=-1/3$ with an estimated error of 10%; iii) in both reactions, parity was violated; iv) by a theorem of Lee, Oheme and Yang (see (Lee et al. 1957)), the observed asymmetry proves that invariance under charge conjugation is not conserved; v) the $g$ value for free $\mu^{+}$ particles was found to be $+2.00\pm 0.10$; and vi) the measured $g$ value and the angular distribution in 2), led to the very strong probability that the $\mu^{+}$ spin was 1/2. The magnetizing current, induced by applying a uniform small vertical field in the magnetic shielded enclosure about the target, produced as a main effect the precession of muon spins, so that a road based on muon spin precession principle to seriously think about the experimental investigation of $a_{\mu}$, was finally descried. Amongst other things, the work of Garwin, Lederman and Weinrich opened the way to the so-called muon spin resonance ($\mu$SR), a widespread tool in solid state physics and chemical physics. In 1957, their result was improved to an accuracy of about 4% by J.M. Cassels, T.W. O’Keele, M. Rigby, A.M. Wetherall and J.R. Wormald. Likewise, following the celebrated suggestion of Lee and Yang on non- conservation of parity in weak interactions, Friedman and Telegdi (1957) investigated the correlation between the initial direction of motion of the muon and the direction of emission of the positron in the main decay chain $\pi^{+}\rightarrow\mu^{+}\rightarrow e^{+}$ produced in nuclear emulsions just to detect a possible parity non-conservation in the latter decay interactions. Following Lee and Yang arguments, violation of parity conservation may be inferred essentially by the measurement of the probability distribution of some pseudoscalar quantity, like the projection of a polar vector along an axial vector. For instance, Lee and Yang themselves suggested several experiments in which a spin direction is available as a suitable axial vector; in particular, they pointed out that the initial direction of motion of the muon in the decay process $\pi^{+}\rightarrow\mu^{+}+\nu_{\mu}$ can serve for this purpose, as the muon will be produced with its spin axis along its initial line of motion if the Hamiltonian responsible for this process does not have the customary invariance properties. If parity is further not conserved in the decay process $\mu^{+}\rightarrow e^{+}+2\nu_{\mu}$, then a forward-backward asymmetry in the distribution of angles, say $W(\theta)$, between this initial direction of motion and the moment of the decay electron, is predicted. To this end, positive pions from the University of Chicago synchrocyclotron were brought to rest in emulsion carefully shielded from magnetic fields, as well as over 1300 complete decay events were measured. A correlation $W(\theta)=1+a\cos\theta$ was found, with $a=-0.174\pm 0.038$, clearly indicating a backward-forward asymmetry, that is to say a violation of parity conservation in both decay processes. Following an argument of T.D. Lee, R. Oehme363636Reinhard Oehme (1928-2010) was an influential theoretical physicist who gave notable contributions mainly in mathematical and theoretical physics. Amongst these, Oehme was the first to realize that every time the $CPT$ symmetry must be obeyed, then if $P$ was violated, $C$ and/or $T$ had to be violated as well. He proved that if the various experiments suggested by Lee and Yang showed a $P$ violation, then $C$ had to be violated too. In this regards, Oehme sent a letter to Yang and Lee explaining this insight, and they immediately suggested that all three together would have written a paper (Lee et al. 1957)). See above all (Yang 2005) where this historical event, often misunderstood, has definitively been clarified. and C.N. Yang, this asymmetry would have implied a non-invariance of either decay reactions with respect to both space inversion $P$ and charge conjugation $C$, taken separately. Furthermore, Friedman and Telegdi given a detailed discussion of a depolarization process specific to $\mu^{+}$ mesons, i.e. the possible formation of muonium $(\mu^{+}e^{-})$. The results of this and similar experiments were also compared with those obtained with muons originating from $p^{+}$ decays in flight and the implications of such a comparison were discussed too. Therefore, the Friedman and Telegdi work, for the first time, pointed out, also thanks to a private communication with R. Oehme, that $P$ and $C$ were violated simultaneously, or rather, to be precise, $P$ was normally violated while $CP$ was to very good approximation conserved, in the decay processes analyzed by them. Following (Farley and Picasso 1979) and (Jegerlehner 2008, Part I, Chapter 1), it should be mentioned that until the end of 1950s, the nature of the muon was quite a mystery. In that period, the possible deviations from the Dirac moment $g=2$ were ascribed to the interaction of leptonic particle with its own electromagnetic field. Any other field coupled to the particle would produce a similar effect and, in this regards, the calculations have been made for scalar, pseudoscalar, vector and axial-vector fields, using an assumed small coupling constant $f$ to a certain boson of mass $M$. For example, for the case of a vector field, the above mentioned work of Berestetskii, Krokhin and Klebnikov as well as the 1958 work of W.S. Cowland, provided the estimate $\delta a_{\mu}^{Vec}=(1/3\pi)(f^{2}/M^{2})m^{2}_{\mu}$ so that a precise measurement of $a_{\mu}$ could therefore reveal the presence of a new field, but, before this, it had to be discovered all the known fields, comprising the weak and strong interactions, and hereupon taken into account. Following (Picasso 1996) and references quoted therein, the theoretical value for $a_{\mu}$ can be expressed as follows $a_{\mu}^{(th)}=a_{\mu}^{QED(th)}+a_{\mu}^{QCD(th)}+a_{\mu}^{Weak(th)}$. In the 1950s, the only contribution which could be measured with a certain precision was the QED one, while both the strong and weak interaction contributions will be determined only later373737The first ones who pointed out on the importance of hadronic vacuum-polarization contributions to $a_{\mu}$ were C. Bouchiat and L. Michel in 1961 as well as L. Durand in 1962 (see (Roberts and Marciano 2010, Chapter 3, Section 3.2.2.2)).. In any case, the QED contribution turns out to be the dominant one for $a_{e}$ while as of today, good estimates have been achieved for weak interaction contributions to $a_{\mu}$ but not for the hadronic ones. While today it is well-known that there exist three lepton-quark families with identical basic properties except for differences in their masses, decay times and patterns, at that time it was very hard to believe that the muon is just a heavier version of the electron, so giving rise to the so-called $\mu-e$ puzzle, paraphrasing the previous well-known $\theta-\tau$ puzzle which was brilliantly solved by the celebrated work of T.D. Lee and C.N. Yang on the parity violation for weak interactions. For instance, it was expected that the muon exhibited some unknown kind of interaction, not shared by electron and that would have due to explain the much higher mass. All this motivated and stimulated the experimental research to explore $a_{\mu}$. As it has already been said above, the big interest in the muon anomalous magnetic moment was motivated by the above mentioned Berestetskii, Krokhin and Klebnikov argument in relation to the main fact according to which the anomalous magnetic moment of leptons mediates spin-flip transitions whose amplitudes are proportional to the masses of particles, so that they are particularly appreciable for heavier ones via a generalization of (55) given by (57) $\frac{\delta a_{l}}{a_{l}}\varpropto\frac{m_{l}^{2}}{M_{l}^{2}}\ \ \ \ \ (M_{l}\gg m_{l})$ where $M_{l}$ is a parameter which may be either an energy scale or an ultraviolet cut-off where QED ceases to be valid (QED-breaking) or as well the mass of a hypothetical heavy state or of a new heavier particle. The relation (57) also allows us to ascertain whether an elementary particle has an internal structure: indeed, if the lepton $l$ is made by hypothetical components of mass $M_{l}$, then the anomaly $a_{l}$ would be modified by a quantity $\delta a_{l}$ given by the relation $\delta a_{l}=O(m_{l}^{2}/M_{l}^{2})$ so that the measurements of $a_{l}$ might provide a lower limit for $M_{l}$ which, at the current state of research, has a magnitude of about 1 TeV, which imply strong limitations to the possible hypotheses on the internal structure of a lepton (see (Picasso 1985)). On the other hand, the relation (57) also implies that the heavier the new state or scale, the harder it is to see. Therefore, from (57), it follows that the sensitivity to high-energy physics grows quadratically with the mass of the lepton, which means that the interesting effects are magnified in $a_{\mu}$ compared to $a_{e}$ by a factor of about $(m_{\mu}/m_{e})^{2}\sim 4\cdot 10^{4}$, and this is just what has made and still makes $a_{\mu}$ the elected monitoring fundamental parameter for the new physics also because of the fact that the measurements of $a_{\tau}$ go out of the present experimental possibilities due to the very short lifetime of $\tau$. As also reported in (Garwin et al. 1957), if $g=2$ then the direction of muon polarization would remain fixed relatively to the direction of motion throughout the trajectory, while if $g\neq 2$ then a phase angle $\delta$ opens up between these two directions. Following (Muirhead 1965, Chapter 2, Section 2.5(a,e)), (Farley and Picasso 1979) and (Picasso 1996), to estimate $\delta$, let us assume that we have longitudinally polarized charged leptons slowly moving in a magnetic field and we know their direction of polarization. If they are allowed to pass into a system with a magnetic field of strength $B$, they experience a torque given by $\vec{\tau}=\vec{\mu}_{s}\wedge\vec{B}$ which, in turn, implies the execution of helical orbits about the direction of $\vec{B}$ which lead to a Larmor precession about the direction of $\vec{B}$ with the following angular velocity (in natural units) calculated in the particle rest frame (58) $\omega_{s}=g\frac{Q}{2mc}B=\Gamma B$ where $\Gamma=g(Q/2mc)$ is the gyromagnetic ratio. If the charged particle is also in motion, then it will execute spiral orbits about $\vec{B}$ which possess the characteristic cyclotron frequency $\nu_{c}$ given by $\omega_{c}=2\pi\nu_{c}=(Q/mc)B$. In one defines the laboratory rotation frequency of the spin relative to the momentum vector as $\omega_{a_{i}}\doteq\omega_{s}-\omega_{c}$, then the phase angle $\delta$, after a time $t$, is given by (59) $\delta=\omega_{a_{i}}t=(\omega_{s}-\omega_{c})t=\frac{g-2}{2}\frac{Q}{mc}Bt=a_{i}\frac{Q}{mc}Bt$ where $g=2(1+a_{i})\ i=e,\mu,\tau$. Hence, if $g=2$, then $\omega_{s}=\omega_{c}$ and the charged leptons will always remain longitudinally polarized. But if $g>2$ as predicted, then the spin starts to precess and turns faster than the momentum vector. Therefore, it is immediately realized that a measurement of the phase angle $\delta$ after a time $t$, may estimate the magnitude of the deviation of the $g$-value from 2. Equation (59) will be the basic formal tool for the so-called $(g-2)$ experiments and that will be carried out later: if the charged lepton is kept turning in a known magnetic field $\vec{B}$ and the angle between the spin and the direction of motion is measured as a function of time $t$, then $a_{i}$ may be estimated. The value of $Q/mc$ is obtained from the precession frequency of the charged leptons at rest, via equation (58). Furthermore, the fundamental equation (59) has been derived only in the limit of low velocities but it has been proved to be exactly true as well at any speed as, for example, made in (Bargmann et al. 1959) using a covariant classical formulation of spin-motion. It has also been proved that the $(g-2)$ precession is not slowed down by time dilation even for high-velocity muons. Following (Farley and Picasso 1979) and (Brown and Hoddeson 1983, Part III, Chapter 8), after the celebrated experience made by Garwin, Lederman and Weinrich in 1957, the possibility of a $(g-2)$ experiment for muon was finally envisaged. In 1959, as recalled by (Jegerlehner 2008, Part I, Chapter 1), the Columbia research group made by L.M. Lederman, R.L. Garwin, D.P. Hutchinson, S. Penman and G. Shapiro, performed a measurement of $a_{\mu}$ with a precision of about 5%, even using a precession technique applied to a polarized muon beam whose directions are determined by means of their asymmetric decay modes. In the same years, many other research groups at Berkeley, Chicago, Liverpool and Dubna started as well to study the problem. If the muon had a structure giving a form factor less than one for photon interactions, then the value of $a_{\mu}$ should be less than predicted. Nevertheless, compared with the measurement on the electron, the muon $(g-2)$ experiment was much more difficult because of the low intensity, diffusive nature and high momentum of available muon sources. All this, together the possibility to get a reasonable number of precession cycles, entailed, amongst other things, the need to have large volumes of magnetic field. One solution, adopted by A.A. Schupp, R.W. Pidd and H.R. Crane in 1961, was to scale up the original Michigan $(g-2)$ method for electrons whose spin directions was established with the aid of a double scattering experiment in which the first and second scatterings were performed respectively before and after the passage of the electrons through a solenoid. However, out of the many attempts to approach such a problem (see also (Garwin 2003)), the first valuable results were achieved by the first CERN $(g-2)$ team composed in alphabetic order by G. Charpak, F.J.M. Farley, T. Muller, J.C. Sens and A. Zichichi (credit by CERN-BUL-PHO-2009-017), formalized the 1st of January 1959 but already operative since 1958\. As recall (Combley and Picasso 1974), (Farley and Picasso 1979), (Combley et al. 1981) and (Jegerlehner 2008, Part I, Chapter 1), the breakthrough experiment which made the direct attack on the magnetic moment anomaly of muons was performed at CERN synchrocyclotron (SC) by the first $(g-2)$ team mentioned above. As a result of this measurement, the experimental accuracy in the value of the muon anomalous magnetic moment was reduced to 0.4% from the level of 15% at which it had previously stood. Following (Brown and Hoddeson 1983, Part III, Chapter 8), the CERN experiments performed from 1961 to 1965, have been based on the main idea according to which, roughly speaking, the muons produced by a beam of pions decaying in flight are longitudinally polarized; furthermore, in the subsequent decays, the electrons reveal the direction of the muon spins because they are preferentially emitted along the spin direction at the momentum of decay. Hence, a $(g-2)$ experiment may be performed trapping the longitudinally polarized muons in a uniform magnetic field and then measuring the precession frequency of the spins. It has only to be added that, due to the very short muon lifetime, it was necessary to use high-energy muons in order to lengthen their decay times using the relativistic time dilation effect. The results reduced the error in the measure of $(g-2)$ from the previous 15% to 0.4%. Following (Jegerlehner 2008, Part I, Chapter 1), surprisingly nothing of special was observed even within 0.4% level of accuracy of the experiment; it was the first real evidence that the muon was just a heavy electron, so reaching to another celebrated experimental evidence of the validity of QED. In particular, this meant that the muon was point-like and no extra short distance effects could be seen. This latter point was however a matter of accuracy and therefore the challenge to go further was quite evident; in this regards, see the reviews (Farley and Semertzidis 2004) and (Garwin 2003). As recalled in (Cabibbo 1994, Part I), G. Bernardini, then research director responsible for the SC at CERN, remembers as, around the end of 1950s, there were many ideas for the high precision measurements of the anomalous magnetic moment of the muon, two of them having been that of the screw magnet and that of the flat magnet. Gilberto Bernardini consulted the greatest magnet specialist, Dr. Bent Hedin, who said that would have been necessary some years to fully carried out one of this project, the flat magnet one, so that it was initially chosen the screw magnet project. In the meanwhile, A. Zichichi had the ingenious idea to trying a new very simple technique consisting in shaping a flat pole with very thin iron sheets, glued together by means of the simplest possible method, the scotch tape. In this way, instead of six years, a few months of hard work allowed Zichichi to built up particular high accuracy magnetic fields, based on the theoretical notion of Garwin-Panofsky- Zichichi polynomial magnetic fields, which constitute just those experimental tools that needed for attaining high measurements of $a_{\mu}$. The so-called six-meters long flat magnet providing an injection field, followed by two transitions, hence a storage, then another transition and finally an ejection field, became the core of the first high precision measurement of the muon $(g-2)$. Likewise, R.L. Garwin, in (Cabibbo 1994, Part I), remembers that, in achieving this, it was determinant the special responsibility of Zichichi profused by him in producing the bizarre magnetic field in their storage magnetic system, accomplished with imagination, energy and efficiency. Again, in (Garwin 1986, 1991, 2001) and (Garwin 2003), the author recalls that the 80-ton magnet six-meters long was shimmed in a wondrous fashion under the responsibility of Nino Zichichi who did a wonderful job in doing this, while the polarization was measured as the muons emerged from the static magnetic field thanks a system perfected by G. Charpak; F.J.M. Farley was instead in charge to develop the computer program which would take the individual counts from the polarization analyzer done by Charpak, while T. Muller played the electronic work with the help of C. York. Following (Jones 2005), the six- meters magnet came to CERN as the heart of the first $g-2$ experiment, the aim of which was to measure accurately the anomalous magnetic moment, or $g$-factor, of the muon. This experiment was one of CERN outstanding contributions to fundamental physics and for many years was unique to the laboratory. To this point, it is need to retake the equations of motion of a charged particle in a magnetic field $\vec{B}$ from a relativistic viewpoint. Following (Combley et al. 1981), (Picasso 1996) and (Jegerlehner 2008, Part II, Chapter 6), the cyclotron (or orbital) frequency is given by (60) $\vec{\omega}_{c}=\frac{Q}{\gamma mc}\vec{B}$ where $\gamma=1/\sqrt{1-\beta^{2}}$ and $\vec{\beta}=\vec{v}/c$. When a relativistic particle is subject to a circular motion, then it is also need to take into account the so-called Thomas precession, which may be computed as follows. The particle rest frame of muon rotates around the laboratory frame with angular velocity $\vec{\omega}_{T}$ given by (61) $\vec{\omega}_{T}=\Big{(}1-\frac{1}{\gamma}\Big{)}\frac{Q\vec{B}}{mc}$ and it is different from the direction of the angular velocity with which the muon’s spin rotates in the rest frame, so that the angular velocity of spin rotation in the laboratory frame is given by (62) $\vec{\omega}_{s}\doteq\vec{\omega}_{L}-\vec{\omega}_{T}=\Big{(}a_{\mu}+\frac{1}{\gamma}\Big{)}\frac{Q\vec{B}}{mc}$ which shows that the angular frequency of anomalous magnetic moment is, in relativistic regime, equal to the angular frequency at very low energies, that is to say (63) $\vec{\omega}_{a_{\mu}}=\vec{\omega}_{s}-\vec{\omega}_{c}=a_{\mu}\frac{Q\vec{B}}{mc}.$ To argue upon the electric dipole moment of the muon, we should consider the relativistic equations of the muon in the laboratory system in presence of an electric field $\vec{E}$ and of a magnetic field $\vec{B}$. In this case, under the conditions of purely transversal fields $\vec{\beta}\cdot\vec{E}=\vec{\beta}\cdot\vec{B}=0$, following (Bargmann et al. 1959), the cyclotron angular velocity is given by (64) $\vec{\omega}_{c}=\frac{Q}{mc}\Big{(}\frac{\vec{B}}{\gamma}-\frac{\gamma}{\gamma^{2}-1}\vec{\beta}\wedge\vec{E}\Big{)}$ while the spin angular velocity is given by (65) $\vec{\omega}_{s}=\frac{Q}{mc}\Big{(}\frac{\vec{B}}{\gamma}-\frac{1}{1+\gamma}\vec{\beta}\wedge\vec{E}+(\vec{B}-\vec{\beta}\wedge\vec{E})\Big{)}$ so that the angular frequency of the muon anomalous magnetic moment, related to the spin precession, is given by (66) $\vec{\omega}_{a_{\mu}}=\vec{\omega}_{s}-\vec{\omega}_{c}=\frac{Q}{mc}\Bigg{(}a_{\mu}\vec{B}+\Big{(}\frac{1}{\gamma^{2}-1}-a_{\mu}\Big{)}\vec{\beta}\wedge\vec{E}\Bigg{)}$ which is the key formula for measuring $a_{\mu}$; $\omega_{a}=|\vec{\omega}_{a}|=\omega_{s}-\omega_{c}$ is the anomalous frequency difference or spin-flip transition. If a large enough electric dipole moment given by $(6)_{2}$ there exists, then either the applied field $\vec{E}$ (which is zero at the equilibrium beam position) and the motional electric field induced in the muon rest frame, say $\vec{E}^{*}=\gamma\vec{\beta}\wedge\vec{B}$, will add an extra precession of the spin with a component along $\vec{E}$ and one around an axis perpendicular to $\vec{B}$, that is to say (67) $\vec{\omega}=\vec{\omega}_{a_{\mu}}+\vec{\omega}_{EDM}=\vec{\omega}_{a_{\mu}}+\frac{\eta Q}{2mc}\Big{(}{\vec{E}}+\vec{\beta}\wedge\vec{B}\Big{)}$ or else (68) $\Delta\omega_{a_{\mu}}\cong d_{e}(\vec{E}+\vec{\beta}\wedge\vec{B})$ which, for $\beta\sim 1$ and $d_{e}\vec{E}\sim 0$, yields (69) $\omega_{a_{\mu}}\cong B\sqrt{\Big{(}\frac{Q}{mc}a_{\mu}\Big{)}^{2}+(d_{e})^{2}}.$ The result is that the plane of precession is no longer horizontal but tilted at an angle (70) $\theta\equiv\arctan\frac{\omega_{EDM}}{\omega_{a_{\mu}}}=\arctan\frac{\eta\beta}{2a_{\mu}}\cong\frac{\eta}{2a_{\mu}}$ and the precession frequency is increased by a factor (71) $\omega^{\prime}_{a_{\mu}}=\omega_{a_{\mu}}\sqrt{1+\delta^{2}}.$ The angle $\theta$ produces a phase difference in the $(g-2)$ oscillation. It is therefore important to determine whether there is a vertical component to the precession in order to separate out the effect of an electric dipole moment from the determination of $\omega_{a_{\mu}}$. The angle of tilt $\theta$ given, in the small angle approximation, by (70), may be detected by looking for the time variation of the vertical component of the muon polarization with the same frequency as the $(g-2)$ precession of the horizontal polarization. Therefore, in order to eliminate the electric dipole moment as a source of any discrepancy which might appear in $(g-2)$ direct measurements of higher precision is preliminarily required. In any case, the main determination in the electric dipole moment of the muon is not merely this last clarification of the $(g-2)$ measurements. Indeed, it is also of fundamental importance in itself since the existence of such a static property for any particle would imply the lack of invariance for the electromagnetic interaction under both $P$ and $T$, as recalled above. Some of the theories unifying the weak and electromagnetic interactions predict a small electric dipole moment for some particles including the muon and a precise measurement of this property would tighten the constrains within which such theories might operate, so that precise measurements of the electric dipole moment of the muon as of other particles were and still are highly desirable. ## 4\. Towards the first exact measurements of the anomalous magnetic moment of the muon In Section 2, we have outlined the first works of A. Zichichi and co-workers on cosmic rays carried out until the end of 1950s. From this period onwards, A. Zichichi was involved, as briefly said above, in some crucial experiments concerning the muon $(g-2)$ measurements and carried out at CERN of Geneva. The first work on muon anomalous magnetic moment in which he was involved is 9. where a precise measurement of the electric dipole moment of the muon was obtained within the QED context only. The work starts from the above mentioned Michigan spin precession method used to measure $a_{e}$ which exploits the possibility to have beams of polarized leptons underwent to asymmetric decay. With this method, i.e. the spin precession methods (see previous Section), one can measure $(g-2)$ by storing the particles for some time in a magnetic field and then measuring the relative precession angle between the spin and the angular momentum which serves as a reference vector. As in the electron experiments, the primary requirement was in being able in injecting the muons into a magnetic field so that they could circulate on essentially periodic orbits, hence to trap them in this field for a large number of orbit periods as possible. Nevertheless, at that time, the available muon beams exhibited, in comparison with the electron case, very low fluxes, high momenta and large extensions in position and momentum space (hence, low density in phase space) which implied many other new difficulties besides the above mentioned primary requirement. On the other hand, the muons did not require the analysis of the spin polarization by scattering since the asymmetric electron decay reveals the spin deviation; indeed, as said above, the electrons were emitted along the spin direction at the moment of decay. Starting from the principle of the method of the experimental apparatus used in (Garwin et al. 1957), the essence of this idea had already been established in (Berley et al. 1958) where the existence of longitudinally polarized beams of $\mu$ mesons and the availability of muon decay electron asymmetry as a polarization analyzer suggested this method by means of which one may search for a muon electric dipole moment. A discussion of the results achieved in (Berley et al. 1958) was then made in (Garwin and Lederman 1959) from which turns out that several practical methods for overcoming these difficulties were either experimentally and theoretically undertaken before this work of Charpak, Lederman, Sens and Zichichi, but without succeed in the enterprize. Instead, this research group was able, for the first time, to trap 85 MeV/c momentum muons for 28 turns, i.e. orbit periods, with no pulse magnets. Their results clearly suggested too that minor modifications in their method were enough to enable one in achieving storage for several hundreds of turns. Well, all this was made possible, as also recalled in the previous section, just thanks to the ingenious technical and experimental ability of A. Zichichi in building up suitable polynomial magnetic fields of high precision and thanks to which it was possible to obtain thousand muon turns (see also (Farley 2005)); in turn, all this was carried out on the basis of the theoretical framework mainly worked out on previous remarkable studies made by R. Garwin and W.K.H. Panofsky, upon which we shall in-depth return later. The extreme importance and innovativeness of this experimental technique was successfully carried out later, at a technical level, in producing the so-called six-meters long flat magnet which, in turn, was mainly built up by A. Zichichi starting from a suitable modification of a previous magnet provided by the University of Liverpool (see (Zichichi 2010) and (CERN 1960)). Seen the fundamental importance of this event, it is necessary to outline the early works and ideas which came before the dawning of this experimental apparatus, and mainly worked out, for the first time, in the paper 9. on whose content we now will briefly argue. The principle of the method consists in injecting, say along the $Y$ axis, a muon beam into a median $(X,Y)$ plane of a flat magnet gap. A moderator (or absorber) $M$, centered on the origin of the $(X,Y)$ plane, will contain such a beam through a suitable reduction of the momentum beam $p$ and of the mean vertical (i.e. along $Z$ direction) field value $B_{z0}$. So, the muons lost energy and consequently follow small and more sharply orbits which will be contained within the magnetic field region, and to prevent a reabsorption by moderator after one turn, a small transverse linear gradient of the magnetic field is inserted, causing an orbit drift along the $X$ axis in the direction opposed to $sign\ a$. The magnetic field configuration is therefore planned to produce such a drift of the muon orbits along the $X$ axis away from the moderator $M$, focusing the muon beam in the median $(X,Y)$ plane. The magnetic field therein used has the following polynomial form (72) $B_{z}=B_{z0}(1+aY+bY^{2})$ along the median plane, where $a,b\in\mathbb{R}$ have to be small (Garwin- Panofsky). If $r$ is the distance from the origin and $ar\ll 1$ and $br^{2}\ll 1$, then the muons emerging from $M$ will move on nearly circular orbits of radius $r$. A linear gradient alone leads to a step-size drift of these orbits along the $X$-direction by an amount equal to (73) $s=\pi r^{2}\langle grad_{Y}\frac{B_{z}}{B_{z0}}\rangle=\pi r^{2}a\ \ \mbox{\rm per\ turn}$ where $\langle\ ,\ \rangle$ denotes average over one orbit loop. This drift will enable some muons to get over $M$ after their first turn, whereupon they go on along a trochoidal orbit. Moreover, following previous basic and notable studies made by R.L. Garwin and W.K.H. Panofsky383838See R.L. Garwin, Numerical calculations of the stability bands and solutions of a Hill differential equation, CERN Internal Report (October 1959) and W.K.H. Panofsky, Orbits in the linear magnet, CERN Internal Report (October 1959)., the linear gradient also produces a weak vertical focusing with wavelength given by (74) $\frac{\lambda_{\nu}}{2\pi}\cong\frac{0.76}{a}.$ Taking into account equation (73), because we want to be $r/s\gg 1$ in order to store as large as possible a number of turns in a magnet of given finite size, it follows that this focusing is very weak either because of sensitive variations of the field index $n$ and since $(r/s\gg 1)\Rightarrow(\lambda_{\nu}/2\pi r\gg 1)$ which implies low frequencies and consequently a weak focusing, hence a poor storage. Nevertheless, as was pointed out by R.L. Garwin (see his 1959 CERN Internal Report), one can improve the vertical focusing while maintaining a given large value of $r/s$ by the addition of a quadratic term of the type $by^{2}$ and indeed, for a polynomial magnetic field of the type (72) with $a$ and $b$ small, one has (75) $\frac{\lambda_{\nu}}{2\pi}\cong\frac{1}{\sqrt{b+1.74a^{2}}}\sim\frac{1}{\sqrt{b}}$ while the drift step-size is still given by (73), so that we can handle $a$ and $b$ in such a manner to have high values of the former and low values of the latter. For example, by taking $b=50a^{2}$, one can, while maintaining the same $r/s$ of above (for such orbits), improve the focusing to 1 oscillation per 7 turns. Therefore, the intensity of stored muons is increased by a factor $38/7\sim 5$ by the addition of the quadratic term to the magnetic field. Thus, to sum up, the term $ay$ produces the $X$ axis drift of an orbit of radius $r$ in step-sizes of magnitude $a\pi r^{2}$ per turn393939According to a principle of the method almost similar to the one proposed by P.S. Farago in (Farago 1958) for the free electron case.. The next $by^{2}$ term adds vertical focusing in such a manner that the wavelength of the vertical oscillations are about $2\pi/\sqrt{b}$; it has as well the useful function to fix more firmly the magnetic median plane around the center of the magnet gap because just the median plane begins to touch the poles, then all the particles will go lost. In any case, it is not allowed to choose $b$ arbitrarily large for vertical defocusings minimizing $\lambda_{\nu}$ because this would lead to a spread in the drift step-size and hence in storage times. Indeed, orbits emerging at an angle $\phi$ with respect to the $Y$ axis would have a step-size given by (76) $s(\phi)=\pi r^{2}(a-2br\phi)$ so that the magnitude of $b$ may be chosen in order to maximize the number of particle stored for a given number of turns. Once having established these fundamental theoretical points, mainly due, as recalled above, to previous works of R.L. Garwin and W.K.H. Panofsky, the next step was to practically realize such polynomial magnetic fields, far from being an easy task. This primary work was masterfully and cleverly accomplished by A. Zichichi starting from a previous magnet provided by the University of Liverpool for whose technical details we refer to the Section 2 - Injection and Trapping, of the original work 9. He was very able to set up a complex but efficient experimental framework that provided suitable polynomial magnetic fields for the magnetic storage of muon beams. The experimental results are of historical importance and were represented in the Figures 2. and 3.a)-b) of 9. whose characteristics were adequately theoretically explained in the above mentioned Section 2 of 9. These results were the first valuable experimental evidence of the fact that particles turning several times inside a small magnetic arrangement was pursuable, so endorsing that presentiment according to which longer magnetic systems of this type could give further and more precise measurements. All this was in fact done in the subsequent experiments made by A. Zichichi and co-workers and that will be described later. The final section of the work 9. deals then with attempts to measure the electric dipole moment of the muon starting from the experimental results achieved by the previous works (Berley et al. 1959) and (Garwin and Lederman 1959) and whose principle of the method was mainly based on the determination of the phase angle given by (59) through the so-called up-down asymmetry parameter404040It is given by $\alpha=(N_{up}-N_{down})/(N_{up}+N_{down})$ respect to the median plane. $\alpha$, taking into account the original theoretical treatment given by (Bargmann et al. 1959) and briefly recalled in the previous Section 3. To this end, Charpak, Lederman, Sens and Zichichi used their innovative experimental arrangement to storage polarized muon beams, just to determine this EDM of the muon. The related value so found was consistent with time reversal invariance and could be considered equal to zero within the experimental errors which have been considerably reduced respect to those of the above mentioned previous works on muon EDM determination. To be precise, their formal treatment is that of (Bargmann et al. 1959) in which are considered the covariant classical equations of motion of a particle of arbitrary spin moving in a homogeneous electromagnetic field. As it has already been said, the theoretical considerations made in (Bargmann et al. 1959) include too the relativistic case because of a remark due to F. Bloch. We consider longitudinally polarized muons possessing an EDM given by $(6)_{2}$, which move in a magnetic field $\vec{B}$ in a plane perpendicular to the latter. In their instantaneous rest frame, they experience an electric field given by $\vec{E}^{*}=\gamma\vec{\beta}\wedge\vec{B}$ which causes a precession of the EDM. In the laboratory frame, the spin precesses around $\vec{v}\wedge\vec{B}$ (hence, out of the orbit plane in which relies $\vec{v}\wedge\vec{B}$) by an angle $\Theta_{s}=\omega_{s}t$ when the orbit has gone through an angle $\Theta_{o}=\omega_{c}t$ (or $\Theta_{c}$) on its orbital plane (see Equation (59)). The polarization (perpendicular to the orbit) thus produced, is detected by stopping the muons after a known $\Theta_{o}$ and measuring the up-down asymmetry of the electrons emerging from the muon decay with respect to the orbit plane (placed in the median plane of the storage magnet set up in 9. and detected by the scintillator No. 4 of their apparatus). This determination, successfully achieved by Charpak, Lederman, Sens and Zichichi, was different from the previous ones only in the magnitude of $\Theta_{o}$, in which it was assumed to be $\Theta_{o}\in]0,2\pi[$, whereas they used the new storage device based on polynomial magnetic fields to get $\Theta_{o}=2n\pi$ with $n\geq 28$, just thanks to the multiple turns that their arrangement was able to provide. The principle of the method consisted in analyzing two range of flight times of particles, a group A of early particles having made few turns in the storage magnet and which are used for calibration, and a group B of late particles which have made many revolutions. In turn, the measurements were divided into three groups in dependence on the mean turn index $\langle n\rangle$ of late particles, this being fixed for the early ones and equal to $\langle n\rangle\approx 1$. The Group $I$ concerns late muons with $\langle n\rangle\approx 11.5$; the Group $II$ concerns late muons with $\langle n\rangle\approx 16.5$, while Group $III$ concerns muons with $\langle n\rangle\approx 19.5$. For each of these groups, the difference in up-down asymmetry, say $\Delta^{(i)}=a_{early}^{(i)}-a_{late}^{(i)}\ \ i=I,II,III$, between the early and late ones, is evaluated. The values so found are reported in the Table I of 9. and from these it is then possible to estimate the angle $\Theta_{s}^{(i)}$, through which the spin has rotated out of the median plane, as $\Delta^{(i)}/a_{max}^{(i)}$ where $a_{max}^{(i)}$ is the maximal obtainable value of asymmetry in the given $i$th group. Then $\Theta_{o}^{(i)}\approx\omega_{c}\langle t^{(i)}\rangle$ where $t^{(i)}$ is the beam flight time detected by the final median plane scintillator. Furthermore, to improve distribution calculations and to reduce systematic errors, the EDM telescope was also symmetrically displaced at different heights with respect to the magnet median plane. Finally, combining the three values of $\Theta_{s}^{(i)}/\Theta_{o}^{(i)}\ \ i=I,II,III$ (listed in the above mentioned Table I), it was possible to estimate $\eta$ of $(6)_{2}$, whence to deduce the upper limit for the EDM of the muon. Following (Lee 2004, Chapter 2), the accelerator physics principles involved in the work 9. mainly concern with transverse particle motion in the sense as first outlined in the 1941 seminal paper (Kerst and Serber 1941) for the betatron case. In Frenet-Serret coordinates $(x,s,z)$ ($s$ is oriented as the tangent, $x$ as the normal and $z$ as the binormal respect to the orbit plane) and in zero electric potential, we have a two-dimensional magnetic field given by $\vec{B}=B_{x}(x,z)\hat{x}+B_{z}(x,z)\hat{z}$ where $\hat{z}=\hat{x}\wedge\hat{z}$. In straight geometries, we have a magnetic flux density given by (77) $B_{z}+iB_{x}=B_{0}\sum_{n\in\mathbb{N}_{0}}(b_{n}+ia_{n})(x+iz)^{n}$ where $a_{n},b_{n}$ are called $2(n+1)$th multipole coefficients and are given by (Lee 2004, Chapter 2, Section I.3, Equations (2.26)). The expression (77) is said to be the Beth representation (see (Beth 1966, 1967)). For example, in discussing the focusing of atomic beams, the sextupole terms are show to be able to make high spin focusings (see (Lee 2004, Chapter 2, Exercise 2.2.18)). In such a case, some historical predecessors of these techniques to obtain polarized ions may be found in (Haeberli 1967) where, among other things, are discussed too some previous experiences with separate magnets operating at the quadrupolar or sextupole order, due to H. Friedburg, W. Paul and H.G. Bennewitz in the early 1950s. In certain sense, looking at the (77), the Garwin-Panofsky-Zichichi polynomial magnetic fields might be considered as special cases forerunner of such Beth representations. One of the main aims of this historical paper has just been that pointing out the following remarkable fact: the first exact measurements of muon AMM will be possible thanks to the use of these Garwin-Panofsky-Zichichi polynomial magnetic fields which were masterfully used, for the first time, in 9. to measure the muon EDM; then, the principle of the method there worked out will be gradually improved both theoretically and experimentally through further pioneering works until the seminal paper 10. in which the first exact measurement of the muon AMM was finally achieved with success. This marked a milestone of fundamental physics of the second half of 20th-century, achieved at CERN of Geneva, upon which we shall return later in a deeper manner. Nevertheless, we must point out as nobody, including the authors themselves of these pioneering researches, have recognized the right primary role played by polynomial magnetic fields in achieving these, whose history is utterly neglected. In this regards, the unpublished theoretical work made by Richard L. Garwin (together to the one made by W.K.H. Panofsky) has been of fundamental importance in setting up the theoretical bases for these polynomial magnetic fields; later, the genial technical ability of Antonino Zichichi will be determinant in providing an experimental version of these fields which were very basilar to get the first exact measurement of the muon AMM. In another place, however, we will deal with this last historical question, also thanks to precious unpublished bibliographical material which has been kindly provided to me by Professor Richard L. Garwin to whom I bear my thankful acknowledgements, and that will be historically in-depth analyzed in another forthcoming paper. ## List of some publications of A. Zichichi 1\. G. Alexander, J.P. Astbury, G. Ballario, R. Bizzarri, B. Brunelli, A. De Marco, A. Michelini, G.C. Moneti, E. Zavattini and A. Zichichi, A Cloud Chamber Observation of a Singly Charged Unstable Fragment, Il Nuovo Cimento, Serie X, Vol. 2 (1955) pp. 365-369 [Received on 18 July 1955 and Published in August 1955 - Registered Preprint No.]. 2\. W.A. Cooper, H. Filthuth, J.A. Newth, G. Petrucci, R.A. Salmeron and A. Zichichi, A Probable Example of the Production and Decay of a Neutral Tau- Meson, Il Nuovo Cimento, Serie X, Vol. 4 (1956) pp. 1433-1444 [Received on 09 September 1956 and Published in December 1956 - Registered Preprint No.]. 3\. W.A. Cooper, H. Filthuth, J.A. Newth, G. Petrucci, R.A. Salmeron and A. Zichichi, Example of the Production of $(K^{0},\bar{K}^{0})$ and $(K^{+},\bar{K}^{0})$ Pairs of Heavy Mesons, Il Nuovo Cimento, Serie X, Vol. 5 (1957) pp. 1388-1397 [Received on 14 January 1957 and Published in June 1957 - Registered Preprint No.]. 4\. C. Ballario, R. Bizzarri, B. Brunelli, A. De Marco, E. Di Capua, A. Michelini, G.C. Moneti, E. Zavattini and A. Zichichi, Life Time Estimate of $\Lambda^{0}$ and $\theta^{0}$ Particles, Il Nuovo Cimento, Serie X, Vol. 6 (1957) pp. 994-996 [Received on 01 August 1957 and Published in October 1957 - Registered Preprint No.]. 5\. H. Filthuth, J.A. Newth, G. Petrucci, R.A. Salmeron and A. Zichichi, Cosmic Ray Research: Proposal for a New High Energy Experiment, CERN Scientific Policy Committee, Seventh Meeting, Document No. CERN/SPC/52(A)-3784/e, Geneva, 21-29 October 1957. 6\. W.A. Cooper, H. Filthuth, L. Montanet, J.A. Newth, G. Petrucci, R.A. Salmeron and A. Zichichi, Neutral $V$-Particle from Copper and Carbon, Il Nuovo Cimento, Serie X, Vol. 8 (1958) pp. 471-481 [Received on 11 February 1958 and Published on May 1958 - Registered Preprint No.]. 7\. G. Alexander, C. Ballario, R. Bizzarri, B. Brunelli, E. Di Capua, A. Michelini, G.C. Moneti and A. Zichichi, $\Lambda^{0}$\- and $\theta^{0}$\- Particles Produced in Iron, Il Nuovo Cimento, Serie X, Vol. 9 (1958) pp. 624-646 [Received on 23 April 1958 and Published in August 1958 - Registered Preprint No.]. 8\. L. Montanet, J.A. Newth, G. Petrucci, R.A. Salmeron and A. Zichichi, A Cloud Chamber Study of Nuclear Interactions with Energies of about 100 GeV, Il Nuovo Cimento, Serie X, Vol. 17 (1960) pp. 166-188 [Received on 18 March 1960 and Published on 18 July 1960 - Registered Preprint No.]. 9\. G. Charpak, L.M. Lederman, J.C. Sens and A. Zichichi, A Method for Trapping Muons in Magnetic Fields, and Its Application to a Redetermination of the EDM of the Muon, Il Nuovo Cimento, Serie X, Vol. 17 (1960) pp. 288-303 [Received on 04 April 1960 and Published on 01 August 1960 - Registered Preprint No. CERN-SC/8431/nc]. 10\. G. Charpak, F.J.M.Farley, R.L. Garwin, T. Muller, J.C. Sens and A. Zichichi, The Anomalous Magnetic Moment of the Muon, Il Nuovo Cimento, Serie X, Vol. 37 (1965) pp. 1241-1363. ## List of some publications of R.L. Garwin 1’. R.L. Garwin, L.M. Lederman and M. Weinrich, Observations of the Failure of Conservation of Parity and Charge Conjugation in Meson Decays: the Magnetic Moment of the Free Muon, Physical Review, 105, No. 4, pp. 1415-1417, February 15, 1957. 2’. Columbia University Physics Department announcement of parity experiments by C.S. Wu, E. Ambler, R.L. Garwin, L.M. Lederman, et al., January 15, 1957. 3’. D. Berley, T. Coffin, R.L. Garwin, L. Lederman, and M. Weinrich, Depolarization of Positive Muons in Matter, Bulletin of the American Physical Society, Series II, 2, No. 4, p. 204, April 25, 1957. 4’. Berley, T. Coffin, R.L. Garwin, L. Lederman, and M. Weinrich, Energy Dependence of the Asymmetry in Polarized Muon Decay, Bulletin of the American Physical Society, Series II, 2, No. 4, p. 204, April 25, 1957. 5’. T. Coffin, R.L. Garwin, L.M. Lederman, S. Penman, and A.M. Sachs, Magnetic Resonance Determination of the Magnetic Moment of the Mu Meson, Physical Review, 106, pp. 1108-1110, May 1957. 6’. D. Berley, T. Coffin, R.L. Garwin, L.M. Lederman and M. Weinrich, Energy Dependence of the Asymmetry in the Beta Decay of Polarized Muons, Physical Review, 106, pp. 835-837, May 1957. 7’. R.L. Garwin, S. Penman, L.M. Lederman, and A.M. Sachs, Magnetic Moment of the Free Muon, Physical Review, 109, No. 3, pp. 973-979, February 1, 1958. 8’. T. Coffin, R.L. Garwin, S. Penman, L.M. Lederman, and A.M. Sachs, Magnetic Moment of the Free Muon, Bulletin of the American Physical Society, Series II, 3, No. 1, p. 34, January 29, 1958. 9’. D. Berley, R.L. Garwin, G. Gidal and L.M. Lederman, Electric Dipole Moment of the Muon, Physical Review Letters, 1, No. 4, pp. 144-146, August 15, 1958. 10’. R.L. Garwin and L.M. Lederman, The Electric Dipole Moment of Elementary Particles, ll Nuovo Cimento, Serie X, 11, pp. 776-780, 1959. 11’. D. Berley, R.L. Garwin, G. Gidal, and L.M. Lederman, Electric Dipole Moment of the Muon, Bulletin of the American Physical Society, Series II, 4, No. 1, Part 1, p. 81, January 28, 1959. 12’. D. Berley, R.L. Garwin, G. Gidal, and L.M. Lederman, Electric Dipole Moment of the Muon, Bulletin of the American Physical Society, Series II, 5, No. 1 Part 2, p. 81, January 27, 1960. 13’. Garwin, R.L. (1986, 1991, 2001), Interviews of Richard L. Garwin by Finn Aaserud and W. Patrick McCray, made on October 23, 1986 in Yorktown Heights, NY (in three sessions), on June 24, 1991 at the IBM Research Laboratory, Croton-Harmon, NY, and on June 7, 2001 in New York City, Oral History Transcripts, Center for History of Physics of the American Institute of Physics, Niels Bohr Library & Archives, American Institute of Physics (AIP), College Park (MD), USA. ## Bibliography Alberico, W.M. (1992), Introduzione alla Fisica Nucleare, Torino: La Scientifica Editrice.. Araki, H. (1999), Mathematical Theory of Quantum Fields, New York: Oxford University Press, Inc. Archibald, R. C. (1950), Book Reviews: Luigi Berzolari, Enciclopedia delle matematiche elementari e complementi con estensione alle principali teorie analitiche, geometriche e fisiche, loro applicazione e notizie storico- bibliografiche, Vol. 3, Bulletin of the American Mathematical Society (N.S.), 56 (6): 517-518. Bacry, H. 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arxiv-papers
2014-02-01T11:58:37
2024-09-04T02:49:58.561487
{ "license": "Public Domain", "authors": "Giuseppe Iurato", "submitter": "Giuseppe Iurato", "url": "https://arxiv.org/abs/1402.5382" }
1402.5406
MENU 2013 11institutetext: Theory Center, Thomas Jefferson National Accelerator Facility, 12000 Jefferson Avenue, Newport News, VA 23606, U.S.A. # SPQR — Spectroscopy: Prospects, Questions & Results M. R. Pennington 11 [email protected] ###### Abstract Tremendous progress has been made in mapping out the spectrum of hadrons over the past decade with plans to make further advances in the decade ahead. Baryons and mesons, both expected and unexpected, have been found, the results of precision experiments often with polarized beams, polarized targets and sometimes polarization of the final states. All these hadrons generate poles in the complex energy plane that are consequences of the strong coupling regime of QCD. They reveal how this works. ## 1 Why Spectroscopy? The spectrum of states of any system is fundamental: reflecting the constituents that make up that system and the interactions between them. The rich spectrum of hadrons reveals the workings of QCD in the strong coupling regime. There are two ways to study this. One is wholly theoretical. Knowing the QCD Lagrangian as we do, one can, in principle, compute its consequences. This turns out to be only just within our capabilities, and only in simpler cases can definitive results be obtained. The alternative is to use experiment as our guide, and learn from there. In experiment quarks know how to solve the field equations of QCD in the strong coupling regime even without the help of a BlueGene computer. Nevertheless, extracting the spectrum from complex data is often far from straightforward, requiring close interaction between theory and experiment. Substantial progress has been made in both the baryon and meson sectors during the past ten years with increasingly precise experiments, measuring not just differential cross-sections, but all manner of polarization observables too. Even more results are to come from BESIII, COMPASS, LHCb, MAMI, ELSA, and Jefferson Lab experiments, with PANDA to follow. ## 2 The Hadron Spectrum: Baryons and Mesons Figure 1: $N^{*}$ and $\Delta^{*}$ spectra, labeled by their spin and parity as $J^{P}$ along the abscissa, and the real part of the resonance pole positions along the ordinate, from the Bonn-Gatchina bn-ga and ANL-Osaka ebac2 analyses of experimental data. For the ANL-Osaka (aka EBAC) analysis all the states have $3^{*}-4^{*}$ provenance, while Bonn-Gatchina also include those with $1^{*}-2^{*}$ ratings, according to the legend shown. Note the tendency of some $N^{*}$’s and $\Delta^{*}$’s to appear in parity pairs as their mass increases above 1800 MeV bn-ga-doublet . Baryons have a special place in the firmament of quark bound states. First it was their multiplet structure that led to the proposal of the quark model, and the discovery of the triply strange $\Omega^{-}$ that confirmed this was on the right lines. The inclusion of quarks in the dynamics of QCD made baryons special too. They most obviously reflect the non-Abelian nature of the theory, since a minimum of three quarks each with different colour charges is required to build a colour neutral hadron with half-integer spin. To learn about the spectrum of excited baryons we first fired pion beams at proton targets and measured the cross-section and polarization for the production of $\pi N$ and $\pi\pi N$ final states. Since states in the spectrum of hadrons have definite quantum numbers, to find these the $\pi N$ cross-sections and asymmetries are decomposed into underlying amplitudes with definite spin. However, these only provided a glimpse of a limited part of the spectrum. A more complete picture is provided by detecting strange, as well as non-strange, final states (like $K\Lambda$, $K\Sigma$, etc) sarantsev ; bn-ga2 ; menu and by more recent studies with photon beams, in different polarization states scattering on polarized targets bn-ga2 . This has been enabled by a wonderful set of experiments at ELSA@Bonn, MAMI@Mainz and CLAS6@JLab. The outcome of two Amplitude Analyses of all these data is shown in Fig. 1. One is a sophisticated, but traditional Amplitude Analysis, by the Bonn-Gatchina team bn-ga , and the other which attempts to learn about the underlying dynamics directly is that by the ANL-Osaka group ebac2 . This uses the Sato-Lee effective Lagrangian sato-lee as its basis, and relies on computing the contribution of many Feynman diagrams as the energy increases. While these approaches satisfy unitarity for two-body channels, three- and higher-body interactions are more complicated. Consequently, it is the more flexible Bonn- Gatchina analysis that can fit the $\pi\pi N$ final states and determine the spectrum to higher masses. The results in Fig. 1 show that the $N^{*}$’s and $\Delta^{*}$’s from these two analyses have much in common, but there are some key differences that need to be resolved. The measurement of double polarization asymmetries, like the so called $G$-function with linearly polarized photons on a longitudinally polarized target open a unique window on to the higher partial waves krusche ; bn-ga3 . They show that the need for important spin-3 components above 1.55 GeV, seen in the top right corner of Fig. 1. Many of these new results from Bonn and Mainz are being presented at this conference krusche ; thiel . More data are to come. Beam and target technology are providing detailed access to this spectrum up to 2.2 GeV. The aim is not just to assemble hadron states like a stamp collection, but to determine their masses and widths (given by their poles in the complex energy plane), and their couplings to all the channels in which they appear (given by the appropriate residues of these poles), and from these to learn about the composition of these states. By virtue of the uncertainty principle, the proton and neutron inevitably have a meson cloud, which has detectable effects — much like the Lamb shift in QED. However, for excited states this cloud is even more tangible. It is real. $\pi N$ and $\pi\pi N$ configurations are an essential part of the Fock space of the $N^{*}(1440)$ and all the many excited states shown in Fig. 1. It is through these components that each decays. The degrees of freedom are not just three quarks, but all the decay channels too. They are not just objects with a $qqq$-core of the constituent quark model capstick , but they must have additional ${\overline{q}}q$, or even ${\overline{q}}gq$ components. The aim is to determine this structure for each of the lower lying excited states, and then to understand from this the detailed workings of strong coupling QCD. Studying in electroproduction experiments how these compositions change as the virtuality of the probing photon increases, may yet confirm these insights mokeev . In the constituent quark model, decays were often treated as some “perturbative” addition, as in the ${}^{3}P_{0}$ scheme barnes . However, more recently, it has been appreciated that decays actually change the dynamics of the spectrum pennington-wilson ; santopinto . This complexity can bring new states into view, for which the opening of decay channels are essential, while making others merge into the continuum as they no longer bind but just fall apart. Such hadronic components are there in modern lattice calculations too edwards1 . However at present with $up$ and $down$ quarks having 10 times their physical mass, and so pions of $400$ MeV, only to a limited extent. As computations advance towards pions of 140 MeV, these hadronic components are likely to shift the masses of the resulting baryons and change their couplings mrp-LEAP , hopefully, approaching those that appear in experiment. That decay channels are essential to hadron states has long been suspected for mesons: the enigmatic scalars mrp-FSU $f_{0}(980)$ and $a_{0}(980)$ clearly have ${\overline{K}}K$ channels at the heart of their existence. The discovery of the new $X,\,Y,\,Z$ states in the heavy quark sectors have highlighted this too. The $X(3872)$ is closely associated to the $D{\overline{D}}^{*}$ channel. The charged $Z_{c}(4430)$ clearly must be more complex than simply ${\overline{c}}c$. New states with hidden strangeness have been found too, like the $Y(2175)$ in the $\phi f_{0}(980)$ channel. These all have the feature that $S$-wave coupling to nearby hadron channels brings binding. Indeed, it is in the meson sector where some of the previously unconfirmed QCD configurations of colour singlets are to be found: glueballs and hybrids. A world of pure glue, while theoretically most interesting, doesn’t exist in the real world. Light glueball configurations inevitably mix with channels in which ${\overline{q}}q$ states appear through their common $\pi\pi$, ${\overline{K}}K$, $\eta\eta$, etc., decay channels. However, hybrids, states in which glue contributes not just binding but to their quantum numbers, can arise with $J^{PC}$’s not possible for simpler ${\overline{q}}q$ systems. Such states like $1^{-+}$ are called “exotic”, but they are only exotic in the quark model, not in QCD, where their appearance is to be expected. Figure 2: Lattice QCD results for the meson spectrum labeled by their spin and parity as $J^{PC}$ along the abscissa, and their masses along the ordinate, from the Hadron Spectrum Collaboration dudek with a pion mass of 400 MeV, showing their flavour structure. The calculations are for states constructed from operators with $q$, $\overline{q}$ and $g$ configurations. The results are grouped into those with natural and unnatural parity allowed by simple ${\overline{q}}q$ states. Those labeled exotic do not appear in the quark model, and in the lattice calculation are dominated by ${\overline{q}}gq$ components. The latest lattice calculations dudek , shown in Fig. 2, predict multiplets of such states around 2 GeV. Since these computations are in a world with 400 MeV pions, they are expected to be shifted in the real world, just as we discussed for baryons. Nevertheless, the calculations are robust enough for a whole new program of exploration to be the focus of the Hall D program at Jefferson Lab whitepaper . There polarized photons scattering on a nucleon target will be studied in many final states: $\pi\pi N$, $3\pi N$, $\eta N$, $4\pi N$, $5\pi N$, $\eta^{\prime}N$, etc, with a detector designed to have a close to perfect acceptance. To this will be added kaon identification. With millions of events, the aim is to perform precision partial wave analyses. Hybrids, and other new states involving light flavours of quark, are unlikely to be narrow, and appear as simple “bumps”, but only by performing Amplitude Analyses of many channels simultaneously will poles in the complex energy plane be definitively revealed. This requires close cooperation between theorists and experimentalists. To facilitate this, the JLab Physics Analysis Center has been set up, led by Adam Szczepaniak. ## 3 JLab Physics Analysis Center The states that first populated the Particle Data Tables were those that naturally were those that lived longest and so appearing as narrow(ish) peaks in the appropriate integrated cross-section: the $\rho$, $\omega$, $\phi$, $N^{*}(1520)$, $\cdots$. This gave the impression that determining the hadron spectrum was just a matter of bump-hunting. However, it soon became clear that many states were highly inelastic, appearing in several channels, often not creating more than a wiggle in any one cross-section. Nevertheless, these correspond to poles in the complex energy plane, which is the true signature of a state in the spectrum of states. Others, like the $f_{0}(980)$, couple strongly to a threshold that is just about to open above their notional mass. Such a state appears as a peak in some reactions and as a dip in others. Nevertheless, these too are described by a pole in the complex energy plane, regardless of the way they appear in experiment on the real energy axis. All this makes it clear that one must have the right framework in which to describe the amplitudes in which resonances appear and the right tools to continue the amplitudes into the complex energy plane. This framework is provided by Reaction Theory. This requires that the Scattering (or $S$-) matrix that describes each reaction satisfies the consequences of causality, relativity and the conservation of probability. These are the basics of no particular theory, but every theory. These require that the $S$-matrix elements possess the correct analyticity, crossing and unitarity properties. Amplitudes are complex functions. Experiment can sometimes determine both their modulus and phase, or at least their relative phase. To connect these from one energy to another demands the use of dispersion relations, or other analytic mapping techniques. Our experimental colleagues, who conceive and build the detectors and understand their acceptances, write the data acquisition software, connect up the electronics and a thousand myriad things to turn pulses into cross-sections, need the help of theorists to provide the translation of these results into the physics of hadrons. Theorists are an integral part of the analysis team, increasingly embedded within the collaborations. The aim here is not to prove some particular favourite model, whether based on constituent quarks, or some modelling of interactions in the bound state equations, or even to validate a lattice calculation, but rather to input essential truths of scattering theory. Testing models has a role, but that comes later, once definitive results have been obtained from experiment. Figure 3: Two of the reaction mechanisms at work in $\gamma N\to 3\pi N$. (a) represents Regge exchange (R) creating intermediate states that decay to $\,\rho\pi$ or $\sigma\pi$, that might include $1^{-+}$ quantum numbers. (b) Deck production of the same final state. These mechanisms interfere. The consequences of this have to be understood across the kinematic range of the reaction to determine the production mode of any partial wave. The mission of the JLab Physics Analysis Center is to network with appropriate theorists and experimentalists in different collaborations to achieve this goal, whether with CLAS12 or GlueX@JLab, COMPASS@CERN, BESIII@BEPC or PANDA@Fair. The purpose of this networking for spectroscopy is to share the $S$-matrix technology that is required and to make this a practical tool. To this end, various working groups have been set up for the first year to study reaction mechanisms and final state interactions, in particular. As prompted by the discussions of the $a_{1}$ years ago, multi-hadron production is far from simple. To establish that the $a_{1}$ was indeed a state in the spectrum required a detailed understanding of how the different mechanisms for three pion production contributed, Fig. 3; whether the behaviour of the relevant $J^{PC}\,=\,1^{++}$ $3\pi$ partial wave requires a resonance like that generated by the graph in Fig. 3a, or can it be wholly understood in terms of the Deck effect of Fig. 3b. Multi-body final state interactions play a key role in searching for new states that may point to glue as an essential contributor to their $J^{PC}$ quantum numbers. Heavy flavour factories, like BaBar and Belle are rich sources of information about such decays. This has to be combined with practical methods for implementing two and three-body unitarity to be used in Amplitude Analyses of the precision data to come. COMPASS is confronting all these issues compass1 and is a key experiment from which we hope to learn. To meet these demands the JLab Physics Analysis Center is not just working with experimentalists but establishing close connections with other theory consortia like the NABIS group nabis and the Haspect project haspect . To make the most of the precision data that modern experiments deliver, with much more to come, we must have tools of comparable precision to extract the detailed physics required to understand how the dynamics of QCD, with its properties of colour confinement and chiral symmetry breaking, really works. That is the challenge. It is a pleasure to thank the organisers, especially Annalisa D’Angelo, for the invitation to give this talk in such an auspicious venue. Discussions with Reinhard Beck on the latest experimental results were much appreciated. This paper has been authored by Jefferson Science Associates, LLC under U.S. DOE Contract No. DE-AC05-06OR23177. ## References * (1) A. V. Anisovich, R. Beck, E. Klempt, V. A. Nikonov, A. V. Sarantsev and U. Thoma, Eur. Phys. J. A 48, 15 (2012). * (2) H. Kamano, S. X. Nakamura, T. -S. H. Lee and T. Sato, Phys. Rev. C 88, 035209 (2013). * (3) A. V. Anisovich, E. Klempt, V. A. Nikonov, A. V. Sarantsev, H. Schmieden and U. Thoma, Phys. Lett. B 711, 162 (2012). * (4) A. V. Sarantsev, Acta Phys. Polon. Supp. 3, 891 (2010); V. D. Burkert, EPJ Web Conf. 37 (2012) 01017. * (5) A. V. Anisovich, R. Beck, E. Klempt, V. A. Nikonov, A. V. Sarantsev and U. Thoma, Eur. Phys. J. A 48, 88 (2012). * (6) R. Schumacher, Strange Photoproduction (Excited States), these Proceedings. * (7) A. Matsuyama, T. Sato and T. S. Lee, Phys. Rept. 439, 193 (2007). * (8) B. Krusche, Latest results from meson photoproduction off neutrons, these proceedings. * (9) A. Thiel, A. V. Anisovich, D. Bayadilov, B. Bantes, R. Beck, Y. Beloglazov, M. Bichow and S. Bose et al., Phys. Rev. Lett. 109, 102001 (2012). * (10) e.g., A. Thiel, The Double Polarization Program of Crystal Barrel at ELSA, these Proceedings. * (11) S. Capstick and N. Isgur, Phys. Rev. D 34, 2809 (1986); S. Capstick and W. Roberts, Phys. Rev. D 49, 4570 (1994). * (12) I. G. Aznauryan and V. D. Burkert, Prog. Part. Nucl. Phys. 67, 1 (2012); P. L. Cole, V. D. Burkert, R. W. Gothe, V. I. Mokeev and CLAS Collaboration, Nucl. Phys. Proc. Suppl. 233, 247 (2012); V. I. Mokeev and I. G. Aznauryan, arXiv:1310.1101 [nucl-ex]. * (13) E. S. Ackleh, T. Barnes and E. S. Swanson, Phys. Rev D 54, 6811 (1996). * (14) M. R. Pennington and D. J. Wilson, Phys. Rev. D 76, 077502 (2007). * (15) J. Ferretti, G. Galata and E. Santopinto, arXiV:1302.6857 [hep-ph]. * (16) R. G. Edwards, J. J. Dudek, D. G. Richards and S. J. Wallace, Phys. Rev. D 84, 074508 (2011). * (17) M. R. Pennington, Proceedings of LEAP 2013, Uppsala, Sweden, June 2013. * (18) M. R. Pennington, AIP Conf. Proc. 1257, 27 (2010) [arXiv:1003.2549 [hep-ph]]. * (19) J. J. Dudek, R. G. Edwards, M. J. Peardon, D. G. Richards and C. E. Thomas, Phys. Rev. D 82, 034508 (2010); J. J. Dudek, R. G. Edwards, B. Joo, M. J. Peardon, D. G. Richards and C. E. Thomas, Phys. Rev. D 83, 111502 (2011). * (20) J. J. Dudek, R. Ent, R. Essig, K. S. Kumar, C. Meyer, R. D. McKeown, Z. E. Meziani and G. A. Miller, M. R. Pennington, D. G. Richards, L. Weinstein, G. Young and S. Brown, Eur. Phys. J. A 48, 187 (2012). * (21) F. Haas [COMPASS], AIP Conf. Proc. 1257, 293 (2010); F. Nerling [COMPASS], EPJ Web Conf. 37, 01016 and 09025 (2012); T. Schlüter et al. [COMPASS], PoS QNP2012, 074 (2012); S. Paul, Meson Spectroscopy in the $3\pi$ Final States using COMPASS Data, these Proceedings. * (22) I. Bigi, I. Bediaga, et al, [Les NABIS Collab.]; B. Kubis, F. Niecknig and S. P. Schneider, Nucl. Phys. Proc. Suppl. 225-227, 75 (2012). * (23) M. Battaglieri, [HaSpect] https:agenda.infn.it/getFile.py/access?contribid=&&resid=0&materialId=6561
arxiv-papers
2014-02-21T20:50:31
2024-09-04T02:49:58.595654
{ "license": "Public Domain", "authors": "M.R. Pennington", "submitter": "Michael R. Pennington", "url": "https://arxiv.org/abs/1402.5406" }
1402.5435
# Understanding the baryon and meson spectra M.R. Pennington ###### Abstract A brief overview is given of what we know of the baryon and meson spectra, with a focus on what are the key internal degrees of freedom and how these relate to strong coupling QCD. The challenges, experimental, theoretical and phenomenological, for the future are outlined, with particular reference to a program at Jefferson Lab to extract hadronic states in which glue unambiguously contributes to their quantum numbers. ###### Keywords: Baryons, mesons, spectrum, decays, coupled channels, QCD ###### : 14.20.Gk, 13.30.Eg, 14.40.Be, 14.40.Df, 12.38.-t, 11.55.-m, 11.80.Et ## 1 Revealing the workings of strong QCD With eyes fixed on the wonders of the LHC at the TeV scale, one may question why is the physics of the strong interaction at 1 GeV of interest any longer. Is this not all ancient history? However, it is at the GeV scale that we already know the scalar sector that gives mass to most of the visible universe. A GeV is the energy scale at which we have discovered half the particles of a possible supersymmetric world. New strong interactions may await discovery, but QCD is the only strong interaction we already know. We should study it in as much detail as we can. After all it determines the properties of the nuclear matter of which we are made. It is the strength of this interaction that brings a complexity of phenomena that outshines those of perturbative electroweak physics. The richness of the tapestry of strong QCD is to be seen in the hadrons, their properties and structure, that it creates. The paradigm for what can be learnt from spectroscopy is provided by atoms. Even if we did not have enough energy to separate electrons from the nucleus, we would know by studying the spectrum that though atoms are electrically neutral, they behave as though they are made of electrically charged objects held together by an electromagnetic force governed by the rules of Quantum Electrodynamics. In a similar way color neutral hadrons are built of constituents carrying color charge, bound by the rules of QCD. But what are these rules? While asymptotic freedom provides a well exploited simplification for hard scattering processes, it is the fact that over a distance of a fermi the interaction is strong that makes QCD so challenging and why we look to experiment for guidance on how it really works. Strong coupling confines quarks and breaks chiral symmetry, and so defines the world of light hadrons. Quark confinement is reflected in the spectrum and properties of hadrons, and we can learn from what experiment teaches about these. We ask: what are the internal degrees of freedom of hadron states? The quark model, that was of course the seed from which the idea of QCD first germinated, suggests these are constituent quarks (and anti-quarks). But is that all there are? What is the role of glue? Do gluons just stick the quarks together, and nothing more? It is in the spectrum of charmonium that we have a working template from which to judge complexity most readily. Below ${\overline{D}}D$ threshold it all appears simple. We have the tightly bound systems of $J/\psi$, $\psi^{\prime}$, $\eta_{c}\,\cdots$, as given by non-relativistic potential models. Above the open charm threshold, we once thought the (almost) stable charmonia are replaced by states with 1-50 MeV widths decaying to ${\overline{D}}D$, ${\overline{D}}D^{*}$, ${\overline{D}^{*}}D^{*}$, ${\overline{D}_{s}}D_{s}^{*},\cdots$, as their mass increases. What we find is that the states predicted by potential models are shifted by tens of MeV themselves: the decays affect their dynamics barnes-swanson ; wilson . Hadronic decay channels are an essential degree of freedom. These not only shift predominantly ${\overline{c}}c$ states, but generate states that would not have existed without these hadron channels. The first discovery of a state of this type is the $X(3872)$, whose very existence is tied to the dynamics of the ${\overline{D}}^{0}D^{*0}$ channel tornqvist . More new states, a string of $X,\,Y$ and $Z$ states perhaps only exist because of their hadronic decays, sometimes these channels binding in molecular (or multiquark) configurations. As dynamically coupled channel models have long suggested vanbev-lutz , hadrons and their decays are intimately related. Only for ground states may one think of them as having minimal quark configurations. ## 2 What are the degrees of freedom in each hadron? Baryons have a special place in the study of hadrons, as their structure is most obviously related to the color degree of freedom. While a color singlet quark-antiquark system is basically the same however many colors there are, the minimum number of quarks in a baryon is intimately tied to the number of colors. If $N_{c}$ were some other number than 3, the world would be quite different. Recognizing the flavor pattern of the ground state baryons was the key step in the development of the quark model. Consequently, this model with three independent quark degrees of freedom isgur ; capstick has naturally served as the paradigm for what we expect the spectrum of excited baryons, both nucleons and $\Delta$’s, to look like too. While experiment has long confirmed the lower lying states, many of the heavier ones seemed to be missing above 1.6 GeV. If baryons were diquark–quark systems, as noted more than 40 years ago lichtenberg , the number of states would be restricted and in fact be very like that observed uptil a year or so ago. However most of the early evidence on the baryon spectrum was accumulated from $\pi N$ scattering, and decays into the same channel. Perhaps the missing states are just dark in these channels, and “shine” most in $\pi\pi N$ and $KY$. Consequently, the experimental program has concentrated more recently on these channels, which are an increasing part of the $\pi N$ total cross-section as the energy goes up. Figure 1: The imaginary parts of the $I=1/2$ $\pi N\to\pi N$ partial wave amplitudes, labeled by the quantum numbers $L_{2I\,2J}\,=\,D_{13}$ and $P_{11}$ from the SAID analysis said as functions of the $\pi N$ c.m. energy, $E$. The arrows mark the real part of the resonance pole positions. But first how do we identify states in the spectrum of hadrons? Since states have definite quantum numbers, spin, parity, isospin etc, we have to decompose the observed data, integrated and differential cross-sections, into partial waves that specify these quantum numbers. To do this completely for processes with spin requires measurements with polarized beams and polarized targets. Having separated the partial waves, one finds it is only for the lowest mass state with a given quantum numbers that the partial wave looks anything like a simple Breit-Wigner resonance, see, as an example, the $D_{13}$ wave in Fig. 1 said . Higher mass states are much less obvious. For instance in the $P_{11}$ wave of Fig. 1, while the $N^{*}(1440)$ (the Roper) appears as a bump in the imaginary part (and modulus), the higher mass $N^{*}(1710)$ can barely be seen in the same $\pi N\to\pi N$ amplitude. It is highly inelastic. A state in the spectrum is then only identifiable by its pole in the complex energy plane on some nearby unphysical sheet. It is the poles that are the universal outcome of any modern amplitude analysis, as recognized by the PDG pdg2012 . By now a vast amount of data has been accumulated, and is being accumulated, on a wide range of baryonic processes, most recently initiated by real and virtual photon beams. The presence of many decay channels and the large widths to each of these demands coupled-channel amplitude analyses be performed. This requires a rich supply of input data if the richness of the spectrum is to be exposed. Thus from JLab jlab-photo ; jlab-data and from ELSA elsa-photo , we have thousands of data on $\gamma p\to\pi^{0}p$ and $KY$, differential cross- sections and polarizations. These feature prominently in the latest analyses. The most ambitious analysis is that by the Excited Baryon Analysis Center (EBAC) team led by Harry Lee ebac . Not only does this fit a very wide range of data on baryonic channels, but it does this in terms of an effective field theory of hadronic interactions developed by Sato and Lee ebac . Their calculational procedure ensures unitarity is fulfilled, and their Lagrangian provides a framework in which to consider the nature and structure of each resonant state, and its “core” revealed. “Bare” or “core” states are those with no decays ebacpoles . While for heavy quark systems one might reasonably define such bare states as those that arise in a potential model for charmonium or bottomonium, for light quark systems the model template is not so obvious. Here it is the Sato-Lee Lagrangian. How are such “bare” states connected to QCD? In fact are these connected to QCD at all? Perhaps there is no limit of QCD in which the hadronic decays of bound states can be turned off. Notwithstanding such interpretations, the results for the $N^{*}$ and $\Delta^{*}$ spectra of EBAC up to 1800 MeV have now been finalized ebac2 , and are shown in Fig. 2. Their analysis of the detailed nature of these states is to come. Figure 2: $N^{*}$ and $\Delta^{*}$ spectra, labeled by their spin and parity as $J^{P}$ along the abscissa, and the real part of the resonance pole positions along the ordinate, from the EBAC ebac2 and Bonn-Gatchina bn-ga analyses. For the EBAC analysis all the states have $3^{*}-4^{*}$ provenance, while Bonn-Gatchina also include those with $1^{*}-2^{*}$ ratings, according to the legend shown. A more computationally flexible amplitude analysis program has been carried out by the Bonn-Gatchina team sarantsev . They fit an even more extensive range of multi-hadron final states and so are able to present results up to a higher energy bn-ga . Their states up to 2.1 GeV are shown in Fig. 2 too, with their assignment of their 1-4 star confidence pdg2012 . The EBAC and Bonn- Gatchina spectra and couplings are very similar, but not identical. The larger mass range fitted includes the JLab data on channels such as $\gamma p\to KY$ jlab-data and this has enabled a number of the “dark” or “missing” baryons at last to be revealed, like the $1/2^{+}$ $N^{*}(1880)$ and the $3/2^{+}$ $N^{*}(1900)$ bn-ga . Experiments on $\gamma p\to K^{+}\Lambda$ with polarized beam and polarized target, together with the spin information from the weak decay $\Lambda\to\pi N$, allow more observables to be measured than the minimum needed to determine all the independent amplitudes (up to an overall phase) tiator ; sandorfi . These over-complete experiments hold out the prospect of checking that the partial wave solution that results in the spectrum shown in Fig. 2 is indeed the correct one. The development of polarized targets, such as FROST and HDice at JLab jlab-targets , have allowed neutron scattering data to be determined too. These results are eagerly awaited as they are an essential component in securing the partial wave solution and its isospin decomposition. Fig. 2 only shows the spectrum with zero strangeness. Within a simple quark model picture (which we have stressed may not be a realistic guide for highly excited states with their complex multi-hadron decays), baryons form flavor multiplets. Consequently, searching for baryons in the $\Sigma^{*},\,\Lambda^{*},\,\Xi^{*}$ families is a key part of the future experimental program. Such states have fewer (or better separated) hadronic decay channels and so may be narrower and more easily identifiable. Figure 3: Cartoon of the possible Fock components (a-d) of some excited baryon, for instance the $N^{*}(1440)$. It almost certainly has components (a) and (b), but the relative amounts of (a-d) awaits to be determined for the Roper, or any other excited, baryon. Such results will teach us the Fock space decomposition of each resonant state. All but the ground states are inevitably complicated. As an example, the Roper, the $N^{*}(1440)$, cannot just be a three quark state, as depicted in Fig. 3a. It must have an explicit $\pi N$ component in its Fock space, Fig. 3b, since it is through this component (amongst others) that it decays. Its Fock space might then be thought to include a nucleon and a pion (or even a multi-pion) cloud (Fig. 3c), but might also contain a pentaquark configuration, like that in Fig. 3d. Dynamical models, and eventually QCD, will tell us what are the proportion of these components for each physical state. Such compositions are also probed experimentally in photo-transition processes. Once the data on these from the final running of CEBAF at 6 GeV are analyzed appropriately in terms of pole quantities mokeev we may have a better idea. How is the spectrum of Fig. 2 related to QCD? The lattice provides the most consistent theoretical connection. The four-dimensional world is modeled as a discrete space-time to make the problem computationally feasible. The baryon spectrum computed most recently edwards reveals a pattern very like that of the quark model: certainly not that of a pointlike diquark–quark system. The “missing” states are there. However, one essential ingredient is clearly missing in such calculations. While continuum hadronic effects are included, they are not yet those of the physical world. Though great computational strides have been made, the up and down quark masses are 8-15 times their physical value and so the pion mass is still 3 or 4 times too heavy. Consequently, the Fock space decomposition of the excited baryons is not physical. In terms of the pictures in Fig. 3, components (b) and (c) are much much smaller than those of the real world, and so it’s perhaps not surprising that the quark model-like Fig. 3a dominates. However, calculational progress towards a 140 MeV pion mass continues. A continuum approach to QCD with physical mass quarks is provided by the solution of the Schwinger-Dyson/Bethe-Salpeter (SD/BS) system of equations sdbsreviews . There has been steady progress over decades in solving this complex system self-consistently. However, speedier computations are made possible by modeling the gluon by a simple contact interaction and presuming that baryons are bound states of a quark with an extended (not pointlike) diquark. Detailed calculations of the $N^{*}$ spectrum have then been made cdr . These include no decays and so no hadronic components. Amusingly there is a “bare” $P_{11}$ state that can be identified with the EBAC “core” state ebacpoles . The physical Roper is $\sim 500$ MeV lighter. As with the more ambitious SD/BS approach treating baryons as full three quark systems eichmann , these calculations must include decays if a meaningful comparison of excited states with experiment is to be achieved. ## 3 Mesons: is this where glue is to be found? We now turn to mesons, first in the quark model. The ${\overline{q}}q$ pair can have spin, $S_{qq}$, equal to 0 or 1. When combined with units of orbital angular momentum $L_{qq}$, they make a series of flavor multiplets, with each unit of $L_{qq}$ adding $\sim 700$ MeV of mass. The ground states with $L_{qq}=0$ have $J^{PC}\,=\,0^{-+}$ and $1^{--}$ quantum numbers. While the light pseudoscalars, being the Goldstone bosons of chiral symmetry breaking, have atypical dynamics, the vector multiplet gives the ideally mixed paradigm, replicated by the mesons with higher $J=L_{qq}+1$. The scalar ${\overline{q}}q$ multiplet is part of the $L_{qq}=S_{qq}=1$ family. There are at least 19 scalars below 2 GeV pdg2012 , far more than can fit into one nonet mrp-scalars . It was Jaffe in his seminal work on multiquark states jaffe that recognized that the scalars below 1 GeV might be tetraquark states, while the more conventional ${\overline{q}}q$ $\,0^{++}$ mesons would be up close to their $2^{++}$ companions around 1.3 GeV. Such an interpretation naturally explains how the isosinglet $f_{0}(980)$ and isotriplet $a_{0}(980)$ can be degenerate in mass and both couple strongly to ${\overline{K}}K$: each is a $\overline{sn}sn$ state, with $n=u,d$. However, recent studies menu2009 ; wilson2 , making use of the fine energy binning possible with BaBar data marco , have shown that the $f_{0}(980)$ is dominated by long range ${\overline{K}}K$ components, rather than a tighter bound tetraquark configuration. Similarly, the $\sigma$ and the $\kappa$ seem to be dominated by $\pi\pi$ and $\pi K$ components: their masses depending far more on their couplings to these channels than related to any simple quark mixing scheme. Indeed long ago, the dynamical calculation by van Beveren and Rupp vanbev highlighted how scalar ${\overline{q}}q$ seeds up at 1.3 GeV can give rise to two multiplets of hadrons, when their strong couplings to di-meson channels are included: an explicit example of dynamical coupled channel effects. Figure 4: The isovector meson spectrum from the lattice calculations of Dudek et al. dudek with $m_{\pi}\,=\,396$ MeV, arranged according to their $J^{PC}$ quantum numbers. Those found with ${\overline{q}}q$ operators are shown as black blocks, the size of which denote the statistical uncertainties. States from ${\overline{q}}qg$ operators are shown as grey blocks. Some of these have spin-exotic quantum numbers. These are shown on the right. Ever since the QCD Lagrangian was written down, it was recognized that there may exist hadrons with more complicated configurations than those of the simple quark model: states in which gluons pay a role in determining their quantum numbers. At first, calculations and experimental searches were for states made purely of glue. While many sightings were claimed, they never stood up to challenge mrp-lund . Indeed, it was quickly realized that any meson made of glue (viz. glueballs) must couple to quarks in order to decay into pions and kaons, and so mixing with these quark configurations is inevitable and could easily be large. Thus in the scalar sector discussed above, several states between 1.3 and 1.8 GeV might have sizeable admixtures of glue, viz. $gg$, without any being predominantly a glueball. That is a detail of dynamics that we do not yet understand, except in unrealistically simple mixing schemes. Consequently, attention has turned to other meson quantum numbers than those of the vacuum. Lattice computations of the ${\overline{q}}q$ spectrum are approaching a maturity that includes all the states we know of from experiment, as shown in first two columns of Fig. 4. There is displayed the results of the present state-of-the art computations for isovector mesons from Dudek et al. dudek . By using an inventive and ingenious set of operators, they have also been able to compute the spectrum of states that are ${\overline{q}}qg$. The grey blocks in Fig. 4 denote these hybrid states. On the left are seen hybrids with conventional quantum numbers, where exciting glue is found to require an extra $\sim 800$ MeV of mass. In addition, states with spin-exotic quantum numbers appear on the right of Fig. 4. The lightest is that with $J^{PC}=1^{-+}$, as long had been expected. At a pion mass of 400 MeV, this hybrid is found to be up around 2 GeV. Of course, a real mass pion is expected to affect this: in general making it lighter and broader. Possible states with $1^{-+}$ quantum numbers were claimed in a series of searches starting more than 35 years ago with GAMS gams , then (as shown in Fig. 5) BNL-E852 chung and VES ves ten years later. All find enhancements in the relevant partial wave. However, these signals only constitute a few percent of the integrated cross-section, and inevitably have $1^{-+}$ waves with sizeable uncertainties dzierba . Consequently, these experiments were never able to show that the underlying partial waves were resonant with a pole in the complex energy plane. The phase variation observed was always rather weak. Figure 5: On the left is the $J^{PC}\,=\,1^{-+}$ signal from BNL-E852 data chung on $\pi N\to(3\pi)N$. The grey histogram is the calculated “leakage” into this channel from other partial waves. The enhancement at $\sim 1.4$ GeV is thereby explained dzierba , but leaves a clean $\sim 1.6$ GeV enhancement. The graph on the right displays the VES results ves on $\,\eta\pi\,$ and $\,\eta^{\prime}\pi\,$ production as a function of the di-meson mass in $\,\pi^{-}Be\,$ collsions at 28 GeV$/c$, again with enhancements at 1.4 and 1.6 GeV, respectively. Whether any of these is resonant is unclear. A much more ambitious program is that of COMPASS@CERN. This studies multi- hadron production at small momentum transfers with a 192 GeV pion beam on nucleon and nuclear targets, in particular studying $\pi\eta^{\prime}$ and $3\pi$ final states. The $\pi\eta^{\prime}$ data show a significant broad enhancement in $1^{-+}$ waves around 1600 MeV, but with little relative phase variation compared with the reference $2^{++}$ wave with its pronounced (conventional ${\overline{q}}q$) $\,a_{2}(1320)$ signal compass1 . In the $3\pi$ channel, the first runs in 2004 showed a very crude enhancement in $1^{-+}$ waves, which was fitted to a Breit-Wigner form with doubtful significance compass0 . However, now COMPASS are studying 96 million events in the $3\pi$ channel. With these statistics, one has to have a good understanding of the reaction mechanisms involved: simple Pomeron exchange with possibly important Deck effect backgrounds. At last report the data require at least 52 partial waves to obtain a stable set. Only the dominant $2^{++}$ and $1^{+-}$ waves have been shown in talks. This meeting will elaborate more on this compass2 . However, further work is needed to establish that there really is a $1^{-+}$ hybrid to add to the spectrum of physical hadrons. A complementary effort is underway at Jefferson Lab with the instalation of magnets to increase the CEBAF energy to 12 GeV, a photon beam line and new detectors. A prime motivation for this upgrade is the search for hybrid mesons in all their quantum numbers, $J^{PC}$ and flavor: not just $1^{-+}$, but the $0^{+-}$, $2^{+-}$, etc., expected at higher mass (Fig. 4). GlueX is the new detector dedicated to studying multi-hadron final states created by an 11 GeV polarized photon beam on a proton target gluex . This is due to start taking data in 2016. Statistics comparable to COMPASS are expected, i.e. $10^{8}$ events. With wonderful angular coverage, this should allow small partial waves to be disentangled. Complementary (and occasionally competing) data on the low multiplicity final states will be taken by the CLAS12 detector at JLab too. The task of extracting small signals with certainty is a real challenge to experiment, phenomenology and theory. One most go beyond the simple isobar picture that was good enough, when one had even $10^{4}$ events. However, in the era of precision data one needs precision analyses too. This demands detailed knowledge of the reaction mechanisms involved, and importantly all the contributing final state interactions of $\pi$’s, $K$’s and $N$’s to be well-represented in terms of amplitudes that respect all the key properties of scattering theory. This requires a pooling of world expertise on partial wave analyses and $S$-matrix technology to ensure multichannel unitarity is fulfilled ASI . We have to learn from the experience of EBAC, Bonn-Gatchina, COMPASS and others, working with all the relevant analysis and experimental groups in the world. This will not just underpin the effort at JLab, but the same technology is required for comprehensive analyses of BESIII, LHCb and PANDA data. Steps are under way to bring this together. It is only by such collective efforts that we can be sure that signals of hybrids at the few percent level can be reliably extracted, and the poles of the $S$-matrix determined. It is not enough to confirm some putative $\pi_{1}(1600)$ signal (suggested by VES and BNL-E852), we must find the whole multiplet structure. It is only then that we can know that such “exotic” states are really hybrids of quarks and glue, and not states with additional ${\overline{q}}q$ pairs, or hadronic molecules. The flavor multiplet structure is the guide bali . An understanding of the role of glue in QCD is the prize. Unless some real surprises happen, these experiments are likely to be the last in light hadron spectroscopy. If we are going to claim a real understanding of the detailed consequences of confinement, we had better get this right. That is the challenge for the next 10-15 years. It is pleasure to thank the CIPANP organizers, particularly Wim van Oers and Martin Comyn, for inviting me to give this talk. The work was authored in part by Jefferson Science Associates, LLC under U.S. DOE Contract No. DE- AC05-06OR23177. ## References * (1) T. Barnes and E. S. Swanson, Phys. Rev. C77, 055206 (2008). * (2) M. R. Pennington and D. J. Wilson, Phys. Rev. D 76, 077501 (2007) [arXiv:0704.3384 [hep-ph]]. * (3) See, for instance, N. A. Tornqvist, Phys. Lett. B590, 209 (2004). * (4) See, for instance, E. van Beveren, C. Dullemond and T. A. Rijken, Z. Phys. C19, 275 (1983); M. F. M. Lutz and E. E. Kolomeitsev, Nucl. Phys. A755, 29 (2005). * (5) S. Capstick and N. Isgur, Phys. Rev. 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Pennington, AIP Conf. Proc. 1432, 176 (2012) [arXiv:1109.3690 [nucl-th]]. * (29) M. R. Pennington and D. J. Wilson, in preparation. * (30) B. Aubert et al. [BaBar], Phys. Rev. D79, 032003 (2009); P. del Amo Sanchez et al. [BaBar], Phys. Rev. D83, 052001 (2011). * (31) E. van Beveren, T. A. Rijken, K. Metzger, C. Dullemond, G. Rupp and J. E. Ribeiro, Z. Phys. C 30, 615-620 (1986). * (32) M. R. Pennington, “Glueballs: the naked truth” Proc. Workshop on Photon Interactions and Photon Structure, Lund, Sweden, Sept. 1998 (ed. G. Jarlskog and T. Sjostrand; pub. Lund, 1999) pp. 313-328. * (33) J. J. Dudek, R. G. Edwards, M. J. Peardon, D. G. Richards and C. E. Thomas, Phys. Rev. D82, 034508 (2010). * (34) D. Alde D et al [GAMS], Phys. Lett. 205B, 397 (1988). * (35) S-U. Chung et al. [BNL-E852], Phys. Rev. D60, 092001 (1999) [hep-ex/9902003]. * (36) G. M. Beladidze et al. [VES], Phys. Lett. B313, 276 (1993). * (37) A. R. Dzierba et al., Phys. Rev. D67, 094015 (2003). * (38) B. Grube [COMPASS], PoS HQL2010,034 (2011) [arXiv: 1011.6615[hep-ex]]; F. Nerling [COMPASS], PoS EPS-HEP2011, 303 (2011) [arXiv: 1111.0259 [hep-ex]]. * (39) M. G. Alekseev et al. [COMPASS], Phys. Rev. Lett. 104 241803 (2010) [arXiv:1001.4654[hep-ex]]. * (40) F. Haas [COMPASS], these proceedings. * (41) See: http://www.gluex.org * (42) See, for instance, lectures at the Jefferson Lab Advanced Study Institute on Techniques for Amplitude Analysis, Williamsburg, June 2012, http://www.jlab.org/conferences/asi2012 * (43) To answer a question from Gunnar Bali at this conference.
arxiv-papers
2014-02-21T22:14:23
2024-09-04T02:49:58.605727
{ "license": "Public Domain", "authors": "M.R. Pennington", "submitter": "Michael R. Pennington", "url": "https://arxiv.org/abs/1402.5435" }
1402.5500
# Handbook of Network Analysis KONECT – the Koblenz Network Collection Jérôme Kunegis ## 1 Introduction Everything is a network – whenever we look at the interactions between things, a network is formed implicitly. In the areas of data mining, machine learning, information retrieval, etc., networks are modeled as _graphs_. Many, if not most problem types can be applied to graphs: clustering, classification, prediction, pattern recognition, and others. Networks arise in almost all areas of research, commerce and daily life in the form of social networks, road networks, communication networks, trust networks, hyperlink networks, chemical interaction networks, neural networks, collaboration networks and lexical networks. The content of text documents is routinely modeled as document–word networks, taste as person–item networks and trust as person–person networks. In recent years, whole database systems have appeared specializing in storing networks. In fact, a majority of research projects in the areas of web mining, web science and related areas uses datasets that can be understood as networks. Unfortunately, results from the literature can often not be compared easily because they use different datasets. What is more, different network datasets have slightly different properties, such as allowing multiple or only single edges between two nodes. In order to provide a unified view on such network datasets, and to allow the application of network analysis methods across disciplines, the KONECT project defines a comprehensive network taxonomy and provides a consistent access to network datasets. To validate this approach on real-world data from the Web, KONECT also provides a large number (180+) of network datasets of different types and different application areas. KONECT, the Koblenz Network Collection, contains 168 network datasets as of April 2013. In addition to these datasets, KONECT consists of Matlab code to generate statistics and plots about them, which are shown on the KONECT website111konect.uni-koblenz.de. KONECT contains networks of all sizes, from small classical datasets from the social sciences such as Kenneth Read’s Highland Tribes network with 16 vertices and 58 edges (HT), to the Twitter social network with 52 million nodes and 1.9 billion edges (TF). Figure 1 shows a scatter plot of all networks by the number of nodes and the average degree in the network. Each network in KONECT is represented by a unique two- or three-character code which we write in a sans-serif font, and is indicated in parentheses as used previously in this paragraph. The full list of codes is given online.222konect.uni-koblenz.de/networks Figure 1: All networks in KONECT arranged by the size (the number of nodes) and the average number of neighbors of all nodes. Each network is represented by a two- or three-character code. The color of each code corresponds to the network category as given in Table 3. This handbook first describes the different network types covered by KONECT in Section 2, gives important mathematical definitions in Section 3, lists the numerical network statistics in Section 4, lists node features in Section 5, lists the plot types in Section 6, reviews graph characteristic matrices and their decompositions in Section 7, documents the KONECT Toolbox in Section 8 and describes KONECT’s file formats in Section 9. ††margin: ⟨name⟩ Throughout the handbook, we will use margin notes to give the internal names of various parameters. ## 2 Taxonomy of Networks Datasets in KONECT represent networks, i.e., a set of nodes connected by links. Networks can be classified by their format (directed/undirected/bipartite), by their edge weight types and multiplicities, by the presence of metadata such as timestamps and node labels, and by the types of objects represented by nodes and links. The full list of networks is given online.333 konect.uni-koblenz.de/networks The format of a network is always one of the following. The network formats are summarized in Table 1. * • In undirected networks (U), ††margin: sym edges are undirected. That is, there is no difference between the edge from $u$ to $v$ and the edge from $v$ to $u$; both are the edge $\\{u,v\\}$. An example of an undirected network is the social network of Facebook (Ow), in which there is no difference between the statements “A is a friend of B” and “B is a friend of A.” * • In a directed network (D), ††margin: asym the links are directed. That is, there is a difference between the edge $(u,v)$ and the edge $(u,v)$. Directed networks are sometimes also called _digraphs_ (for _directed graphs_), and their edges _arcs_. An example of a directed social network is the follower network of Twitter (TF), in which the fact that user A follows user B does not imply that user B follows user A. * • Bipartite networks (B) ††margin: bip include two types of nodes, and all edges connect one node type with the other. An example of a bipartite network is a rating graph, consisting of the node types _user_ and _movie_ , and each rating connects a user and a movie (M3). Bipartite networks are always undirected in KONECT. Table 1: The network formats allowed in KONECT. Each network dataset is exactly of one type. # Symbol Type Edge partition Edge types Internal name 1 U Undirected Unipartite Undirected sym 2 D Directed Unipartite Directed asym 3 B Bipartite Bipartite Undirected bip The edge weight and multiplicity types of networks are represented by one of the following six types. The types of edge weights and multiplicities are summarized in Table 2. * • An unweighted network ($-$) ††margin: unweighted has edges that are unweighted, and only a single edge is allowed between any two nodes. * • In a network with multiple edges ($=$), ††margin: positive two nodes can be connected by any number of edges, and all edges are unweighted. This type of network is also called a multigraph. * • In a positive network ($+$), ††margin: posweighted edges are annotated with positive weights, and only a single edge is allowed between any node pair. The weight zero identified with the lack of an edge and thus, we require that each edge has a weight strictly larger than zero. * • In a signed network ($\pm$), ††margin: signed both positive and negative edges are allowed. Positive and negative edges are represented by positive and negative edge weights. Many networks of this type have only the weights $\pm 1$, but in the general case we allow any nonzero weight. * • Rating networks ($*$) ††margin: weighted have arbitrary real edge weights. They differ from positive and signed networks in that the edge weights are interpreted as an interval scale, and thus the value zero has no special meaning. Adding a constant to all edge weights does not change the semantics of a rating network. Ratings can be discrete, such as the one-to-five star ratings, or continuous, such as a rating given in percent. This type of network allows only a single edge between two nodes. * • Networks with multiple ratings (${}_{*}{}^{*}$) ††margin: multiweighted have edges annotated with rating values, and allow multiple edges between two nodes. * • Dynamic networks ($\rightleftarrows$) are networks in ††margin: dynamic which edges can appear and disappear. They are always temporal. Individual edges are not weighted. Metadata of networks are further properties that go beyond the formats and weights listed abive. * • Temporal networks (⏲) include a timestamp for each edge, and thus the network can be reconstructed for any moment in the past. * • Networks with loops ($\circlearrowright$) are unipartite networks in which edges of the form $\\{u,u\\}$ are allowed, i.e., edges connecting a node with itself. Table 2: The edge weight and multiplicity types allowed in KONECT. Each network dataset is exactly of one type. Note that due to historical reasons, networks with multiple unweighted edges have the internal name positive, while positively weighted networks have the internal posweighted. For signed networks and positive edge weights, weights of zero are only allowed when the tag #zeroweight is set. # Symbol Type Multiple Edge weight Edge weight Internal name edges range scale 1 $-$ Unweighted No $\\{1\\}$ – unweighted 2 $=$ Multiple unweighted Yes $\\{1\\}$ – positive 3 $+$ Positive weights No $(0,\infty)$ Ratio scale posweighted 4 $\pm$ Signed No $(-\infty,+\infty)$ Ratio scale signed 5 $\stackrel{{\scriptstyle+}}{{=}}$ Multiple signed Yes $(-\infty,+\infty)$ Ratio scale multisigned 6 $*$ Rating No $(-\infty,+\infty)$ Interval scale weighted 7 ${}_{*}{}^{*}$ Multiple ratings Yes $(-\infty,+\infty)$ Interval scale multiweighted 8 $\rightleftarrows$ Dynamic Yes $\\{1\\}$ – dynamic 9 Multiple positive weights Yes $(0,\infty)$ Ratio scale multiposweighted Finally, the network categories classify networks by the type of data they represent. An overview of the categories is given in Table 3. Table 3: The network categories in KONECT. Each category is assigned a color, which is used in plots, for instance in Figure 1. The property symbols are defined in Table 2. U: Undirected network, D: Directed network, B: Bipartite network. Category Vertices Edges Properties Count $\newmoon$ Affiliation Actors, groups Membership U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 11 $\newmoon$ Animal Animals Tie U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 1 $\newmoon$ Authorship Authors, works Authorship U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 18 $\newmoon$ Citation Documents Citation U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 6 $\newmoon$ Coauthorship Authors Coauthorship U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 5 $\newmoon$ Communication Persons Message U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 11 $\newmoon$ Computer Computers Connection U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 5 $\newmoon$ Feature Items, features Property U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 9 $\newmoon$ Folksonomy Users, tags, items Tag assignment U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 18 $\newmoon$ HumanContact Persons Real-life contact U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 4 $\newmoon$ HumanSocial Persons Real-life tie U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 3 $\newmoon$ Hyperlink Web page Hyperlink U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 28 $\newmoon$ Infrastructure Location Connection U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 9 $\newmoon$ Interaction Persons, items Interaction U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 6 $\newmoon$ Lexical Words Lexical relationship U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 6 $\newmoon$ Metabolic Metabolites Interaction U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 6 $\newmoon$ Misc Various Various U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 6 $\newmoon$ OnlineContact Users Online interaction U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 5 $\newmoon$ Rating Users, items Rating U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 15 $\newmoon$ Social Persons Tie U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 30 $\newmoon$ Software Software Component Dependency U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 3 $\newmoon$ Text Documents, words Occurrence U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 5 $\newmoon$ Trophic Species Carbon exchange U D B $-$ $=$ $+$ $\pm$ $\stackrel{{\scriptstyle+}}{{=}}$ $*$ ${}_{*}{}^{*}$ $\rightleftarrows$ $++$ 3 Affiliation networks are bipartite networks denoting the ††margin: Affiliation membership of actors in groups. Groups can be defined as narrowly as individual online communities in which users have been active (FG) or as broadly as countries (CN). The actors are mainly persons, but can also be other actors such as musical groups. Note that in all affiliation networks we consider, each actor can be in more than one group, as otherwise the network cannot be connected. Animal networks are networks of contacts between animals. ††margin: Animal They are the animal equivalent to human social networks. Note that datasets of websites such as Dogster (Sd) are _not_ included here but in the Social (online social network) category, since the networks are generated by humans. Authorship networks are unweighted bipartite networks consisting ††margin: Authorship of links between authors and their works. In some authorship networks such as that of scientific literature (Pa), works have typically only few authors, whereas works in other authorship networks may have many authors, as in Wikipedia articles (en). Citation networks consist of documents that reference each ††margin: Citation other. The primary example are scientific publications, but the category also allow patents and other types of documents that reference each other. Coauthorship networks are unipartite network connecting authors ††margin: Coauthorship ††margin: w ho have written works together, for instance academic literature, but also other types of works such as music or movies. Communication networks contain edges that represent ††margin: Communication individual messages between persons. Communication networks are directed and allow multiple edges. Examples of communication networks are those of emails (EN) and those of Facebook messages (Ow). Note that in some instances, edge directions are not known and KONECT can only provide an undirected network. Computer networks are networks of connected computers. ††margin: Computer Nodes in them are computers, and edges are connections. When speaking about _networks_ in a computer science context, one often means only computer networks. An example is the internet topology network (TO). Feature networks are bipartite, and denote any kind of feature ††margin: Feature assigned to entities. Feature networks are unweighted and have edges that are not annotated with edge creation times. Examples are songs and their genres (GE). Folksonomies consist of tag assignments connecting a user, an ††margin: Folksonomy item and a tag. For folksonomies, we follow the 3-bipartite projection approach and consider the three possible bipartite networks, i.e., the user–item, user–tag and item–tag networks. This allows us to apply methods for bipartite graphs to hypergraphs, which is not possible otherwise. Items that are tagged in folksonomies include bookmarks (Dui), scientific publications (Cui) and movies (Mui). Human contact networks are unipartite networks of actual contact ††margin: HumanContact between persons, i.e., talking with each other, spending time together, or at least being physically close. Usually, these datasets are collected by giving out RFID tags to people with chips that record which other people are in the vicinity. Determining when an actual contact has happened (as opposed to for instance to persons standing back to back) is a nontrivial research problem. An example is the Reality Mining dataset (RM). Human social networks are real-world social networks between humans. ††margin: HumanSocial The ties must be offline, and not from an online social network. Also, the ties represent a state, as opposed to human contact networks, in which each edge represents an event. Hyperlink networks are the networks of web pages connected by hyperlinks. Infrastructure networks are networks of physical infrastructure. ††margin: Infrastructure Examples are road networks (RO), airline connection networks (OF), and power grids (UG). Interaction networks are bipartite networks consisting of people ††margin: Interaction and items, where each edge represents an interaction. In interaction networks, we always allow multiple edges between the same person–item pair. Examples are people writing in forums (UF), commenting on movies (Fc) or listening to songs (Ls). Lexical networks consist of words from natural ††margin: Lexical languages and the relationships between them. Relationships can be semantic (i.e, related to the meaning of words) such as the synonym relationship (WO), associative such as when two words are associated with each other by people in experiments (EA), or denote cooccurrence, i.e., the fact that two words co-occur in text (SB). Note that lexical cooccurrence networks are explicitly not included in the broader Cooccurrence category. Metabolic networks model metabolic pathways. ††margin: Metabolic Miscellaneous networks are any networks that do not fit into one ††margin: Misc of the other categories. Online Contact networks consist of people and interactions between ††margin: OnlineContact them. Contact networks are unipartite and allow multiple edges, i.e., there can always be multiple interactions between the same two persons. They can be both directed or undirected. Examples are people that meet each other (RM), or scientists that write a paper together (Pc). Physical networks represent physically existing network ††margin: Physical structures in the broadest sense. This category covers such diverse data as physical computer networks (TO), transport networks (OF) and biological food networks (FD). Rating networks consist of assessments given to items by users, ††margin: Rating weighted by a rating value. Rating networks are bipartite. Networks in which users can rate other users are not included here, but in the Social category instead. If only a single type of rating is possible, for instance the “favorite” relationship, then rating networks are unweighted. Examples of items that are rated are movies (M3), songs (YS), jokes (JE), and even sexual escorts (SX). Online social networks represent ties between ††margin: Social persons in online social networking platforms. Certain social networks allow negative edges, which denote enmity, distrust or dislike. Examples are Facebook friendships (FSG), the Twitter follower relationship (TF), and friends and foes on Slashdot (SZ). Note that some social networks can be argued to be rating networks, for instance the user–user rating network of a dating site (LI). These networks are all included in the Social category. Software networks are networks of interacting software ††margin: Software component. Node can be software packages connected by their dependencies, source files connected by includes, and classes connected by imports. Text networks consist of text documents containing words. They ††margin: Text are bipartite and their nodes are documents and words. Each edge represents the occurrence of a word in a document. Document types are for instance newspaper articles (TR) and Wikipedia articles (EX). Trophic networks consist of biological species connected by edges denotes ††margin: Trophic which pairs of species are subject to carbon exchange, i.e., which species eats which. The term _food chain_ describes such relation ships, but note that in the general case, a trophic network is not a chain, i.e., it is not linear. Trophic networks are directed. Note that the category system of KONECT is in flux. As networks are added to the collection, large categories are split into smaller ones. We do not include certain kinds of networks that lack a complex structure. This includes networks without a giant connected component, in which most nodes are not reachable from each other, and trees, in which there is only a single path between any two nodes. Note that bipartite relationships extracted from n-to-1 relationships are therefore excluded, as they lead to a disjoint network. For instance, a bipartite person–city network containing _was-born- in_ edges would not be included, as each city would form its own component disconnected from the rest of the network. On the other hand, a band–country network where edges denote the country of origin of individual band members is included, as members of a single band can have different countries of origin. In fact the Countries network (CN) is of this form. Another example is a bipartite song–genre network, which would only be included in KONECT when songs can have multiple genres. As an example of the lack of complex structure when only a single genre is allowed, the degree distribution in such a song–genre network is skewed because all song nodes have degree one, the diameter cannot be computed since the network is disconnected, and each connected component trivially has a diameter of two or less. ## 3 Definitions The areas of graph theory and network analysis are young, and many concepts within them do not have a single established notation. The notation chosen for KONECT represents a compromise between familiarity with the most common conventions, and the need to use an unambigous choice of letters and symbols. Graphs will be denoted as $G=(V,E)$, in which $V$ is the set of vertices, and $E$ is the set of edges [Bol98]. Without loss of generality, we assume that the vertices $V$ are consecutive natural numbers, i.e., $\displaystyle V$ $\displaystyle=\\{1,2,3,\dotsc,|V|\\}.$ (1) Edges $e\in E$ will be denoted as sets of two vertices, i.e., $e=\\{u,v\\}$. We say that two vertices are adjacent if they are connected by an edge; this will be written as $u\sim v$. We say that an edge is incident to a vertex if the edge touches the vertex. We also allow loops, i.e., edges of the form $\\{u,u\\}=\\{u\\}$. Loops appear for instance in email networks, where it is possible to send an email to oneself, and therefore an edge may connect a vertex with itself. Most networks however do not contain loops, and therefore networks that allow loops are annotated in KONECT with the #loop tag, as described in Section 9. Most of the time, we work with only one given graph, and therefore it is unambigous with node and edge set are meant by $V$ and $E$. When ambiguity is possible, we will however use the notation $V[G]$ and $E[G]$ to denote the vertex and edge sets of a graph $G$. This notation may occasionally be extended to other graph characteristics. In directed networks, edges are pairs instead of sets, i.e., $e=(u,v)$. In directed networks, edges are sometimes called _arcs_ ; in KONECT, we use the term _edge_ for them. In bipartite graphs, we can partition the set of nodes $V$ into two disjoint sets $V_{1}$ and $V_{2}$, which we will call the left and right set respectively. Although the assignment of a bipartite network’s two node types to left and right sides is mathematically arbitrary, it is chosen in KONECT such that the left nodes are _active_ and the right nodes are _passive_. For instance, a rating graph with users and items will always have users on the left since they are active in the sense that it is they who give the ratings. Such a distinction is sensible in most networks [Ops12]. The number of left and right nodes will be denoted $n_{1}=|V_{1}|$ and $n_{2}=|V_{2}|$. Networks with multiple edges will be written as $G=(V,E)$, where $E$ is a multiset. The degree of nodes in such networks takes into account multiple edges. Thus, the degree does not equal the number of adjacent nodes but the number of incident edges. When $E$ is a multiset, it can contain the edge $\\{u,v\\}$ multiple times. Mathematically, we may write $\\{u,v\\}_{1}$, $\\{u,v\\}_{2}$, etc. Note that we will be lax with this notation. In expressions valid for all types of networks, we will use sums such as $\sum_{\\{u,v\\}\in E}$ and understand that the sum is over all edges. In positively weighted networks, we define $w$ as the weight function, returning the edge weight when given an edge. In such networks, the weights are not taken into account when computing the degree. In a signed network, each edge is assigned a signed weight such as $+1$ or $-1$. In such networks, we define $w$ to be the signed weight function. In the general case, we allow arbitrary nonzero real numbers, representing degrees of positive and negative edges. In rating networks, we define $r$ to be the rating function, returning the rating value when given an edge. Note that rating values are interpreted to be invariant under shifts, i.e., adding a real constant to all ratings in the network must not change the semantics of the network. Thus, we will often make use of the mean rating defined as $\displaystyle\mu$ $\displaystyle=\frac{1}{|E|}\sum_{e\in E}r(e).$ (2) For consistency, we also define the edge weight function $w$ for unweighted and rating networks: $\displaystyle w(e)$ $\displaystyle=\left\\{\begin{array}[]{ll}1&\text{when $G$ is unweighted}\\\ r(e)-\mu&\text{when $G$ is a rating network}\\\ \end{array}\right.$ (5) We also define a weighting function for node pairs, also denoted $w$. This function takes into account both the weight of edges and edge multiplicities. It is defined as $w(u,v)=0$ when the nodes $u$ and $v$ are not connected and if they are connected as $\displaystyle w(u,v)$ $\displaystyle=\left\\{\begin{array}[]{ll}1&\text{when $G$ is $-$}\\\ |\\{k\mid\\{u,v\\}_{k}\in E\\}|&\text{when $G$ is $=$}\\\ w(\\{u,v\\})&\text{when $G$ is $+$}\\\ w(\\{u,v\\})&\text{when $G$ is $\pm$}\\\ r(\\{u,v\\})-\mu&\text{when $G$ is $*$}\\\ \sum_{\\{u,v\\}_{k\in E}}[r(\\{u,v\\}_{k})-\mu]&\text{when $G$ is ${}_{*}{}^{*}$}\end{array}\right.$ (12) Dynamic networks are special in that they have a set of events (edge addition and removal) instead of a set of edges. In most cases, we will model dynamic networks as unweighted networks $G=(V,E)$ representing their state at the latest known timepoint. For analyses that are performed over time, we consider the graph at different time points, with the graph always being an unweighted graph. In an unweighted graph $G=(V,E)$, the degree of a vertex is the number of neighbors of that node $\displaystyle d(u)$ $\displaystyle=\\{v\in V\mid\\{u,v\\}\in E\\}.$ (13) In networks with multiple edges, the degree takes into account multiple edges, and thus to be precise, it equals the number of incident edges and not the number of adjacent vertices. $\displaystyle d(u)$ $\displaystyle=\\{\\{u,v\\}_{k}\in E\mid v\in V\\}$ (14) In directed graphs, the sum is over all of $u$’s neighbors, regardless of the edge orientation. Note that the sum of the degrees of all nodes always equals twice the number of edges, i.e., $\displaystyle\sum_{v\in V}d(u)$ $\displaystyle=2|E|.$ (15) In a directed graph we define the outdegree $d_{1}$ of a node as the number of outgoing edges, and the indegree $d_{2}$ as the number of ingoing edges. $\displaystyle d_{1}(u)$ $\displaystyle=\\{v\in V\mid(u,v)\in E\\}$ (16) $\displaystyle d_{2}(u)$ $\displaystyle=\\{v\in V\mid(v,u)\in E\\}$ (17) The sum of all outdegrees, and likewise the sum of all indegrees always equals the number of nodes in the network. $\displaystyle\sum_{u\in V}d_{1}(u)=\sum_{u\in V}d_{2}(u)=|E|$ (18) We also define the weight of a node, also denoted by the symbol $w$, as the sum of the absolute weights of incident edges $\displaystyle w(u)$ $\displaystyle=\sum_{\\{u,v\\}\in E}|w(\\{u,v\\})|.$ (19) The weight of a node coincides with the degree of a node in unweighted networks and networks with multiple edges. The weight of a node may also be called its strength [OAS10]. ### 3.1 Graph Transformations Sometimes, it is necessary to construct a graph out of another graph. In the following, we briefly review such constructions. Let $G=(V,E,w)$ be any weighted, signed or rating graph, regardless of edge multiplicities. Then, $\bar{G}$ will denote the corresponding unweighted graph, i.e., $\displaystyle\bar{G}$ $\displaystyle=(V,E).$ (20) Note that the graph $\bar{G}$ may still contain multiple edges. Let $G=(V,E,w)$ be any graph with multiple edges. We define the corresponding unweighted simple graphs as $\displaystyle\bar{\bar{G}}=(V,\bar{\bar{E}}),$ (21) where $\bar{\bar{E}}$ is the set underlying the multiset $E$. For simple graphs, we define $\bar{\bar{G}}=G$. Let $G=(V,E,w)$ be a signed or rating network. Then, $|G|$ will denote the corresponding unsigned graph defined by $\displaystyle|G|$ $\displaystyle=(V,E,w^{\prime})$ (22) $\displaystyle w^{\prime}(e)$ $\displaystyle=|w(e)|.$ Let $G=(V,E,w)$ be any network with weight function $w$. The negative network to $G$ is then defined as $\displaystyle-G$ $\displaystyle=(V,E,w^{\prime})$ (23) $\displaystyle w^{\prime}(e)$ $\displaystyle=-w(e).$ This construction is possible for all types of networks. For unweighted and positively weighted networks, it leads to signed networks. ### 3.2 Characteristic Matrices A very useful representation of graph is using matrices. In fact, a subfield of graph theory, _algebraic graph theory_ , is devoted to this representation [GR01]. When a graph is represented as a matrix, operations on graphs can often be expressed as simple algebraic expressions. For instance, the number of common friends of two people in a social network can be expressed as the square of a matrix. An unweighted graph $G=(V,E)$ can be represented by a $|V|$-by-$|V|$ matrix containing the values 0 and 1, denoting whether a certain edges between two nodes is present. This matrix is called the adjacency matrix of $G$ and will be denoted $\mathbf{A}$. Remember that we assume that the vertices are the natural numbers $1,2,\dotsc,|V|$. Then the entry $\mathbf{A}_{uv}$ is one when $\\{u,v\\}\in E$ and zero when not. This makes $\mathbf{A}$ square and symmetric for undirected graphs, generally asymmetric (but still square) for directed graphs. For a bipartite graph $G=(V_{1}\cup V_{2},E)$, the adjacency matrix has the form $\displaystyle\mathbf{A}$ $\displaystyle=\left[\begin{array}[]{cc}&\mathbf{B}\\\ \mathbf{B}^{\mathrm{T}}&\end{array}\right].$ (26) The matrix $\mathbf{B}$ is a $|V_{1}|$-by-$|V_{2}|$ matrix, and thus generally rectangular. $\mathbf{B}$ will be called the biadjacency matrix. In weighted networks, the adjacency matrix takes into account edge weights. In networks with multiple edges, the adjacency matrix takes into account edge multiplicities. Thus, the general definition of the adjacency matrix is given by $\displaystyle\mathbf{A}_{uv}$ $\displaystyle=w(u,v).$ (27) The degree matrix $\mathbf{D}$ is a diagonal $|V|$-by-$|V|$ matrix containing the absolute weights of all nodes, i.e., $\displaystyle\mathbf{D}_{uu}$ $\displaystyle=|w(u)|.$ (28) Note that we define the degree matrix explicitly to contain node weights instead of degrees, to be consistent with the definition of $\mathbf{A}$. The normalized adjacency matrix $\mathbf{N}$ is a $|V|$-by-$|V|$ matrix given by $\displaystyle\mathbf{N}$ $\displaystyle=\mathbf{D}^{-1/2}\mathbf{A}\mathbf{D}^{-1/2}.$ (29) Finally the Laplacian matrix $\mathbf{L}$ is an $|V|$-by-$|V|$ matrix defined as $\displaystyle\mathbf{L}=\mathbf{D}-\mathbf{A}.$ (30) Note that in some disciplines the Laplacian matrix may be defined as $\mathbf{A}-\mathbf{D}$, making it negative-semidefinite. Other matrices used in KONECT include the normalized Laplacian matrix, the stochastic adjacency matrix and the signless Laplacian. The normalized Laplacian $\mathbf{Z}$ is a normalized version of the Laplacian matrix $\mathbf{L}$. Just as the ordinary Laplacian, $\mathbf{Z}$ capture aspects of the graph that are useful for clustering. $\displaystyle\mathbf{Z}=\mathbf{I}-\mathbf{N}=\mathbf{D}^{-1/2}\mathbf{L}\mathbf{D}^{-1/2}$ (31) The equation $\mathbf{Z}=\mathbf{I}-\mathbf{N}$ shows that $\mathbf{Z}$ has the same eigenvectors as $\mathbf{N}$, and its eigenvalues are those of $\mathbf{N}$, but shifted and inverted. The consideration of random walks on a graph leads to the definition of the stochastic adjacency matrix $\mathbf{P}$. Imagine a random walker on the nodes of a graph, who can walk from node to node by following edges. If, at each edge, the probability that the random walker will go to each neighboring node with equal probability, then the random walk can be described be the transition probability matrix defined as $\displaystyle\mathbf{P}=\mathbf{D}^{-1}\mathbf{A}=\mathbf{D}^{-1/2}\mathbf{N}\mathbf{D}^{1/2}.$ (32) The matrix $\mathbf{P}$ is right stochastic, since its row sums are one. A further variant of Laplacian matrix is the signless Laplacian $\mathbf{K}$. $\displaystyle\mathbf{K}=\mathbf{D}+\mathbf{A}.$ (33) The signless Laplacian $\mathbf{K}$ corresponds to the ordinary Laplacian $\mathbf{L}$ of the graph with inverted edge weights, i.e., $\mathbf{K}[G]=\mathbf{L}[-G]$. Note that in most cases, we work on just a single graph, and it is implicit that the characteristic matrices apply to this graph. In a few cases, we may need to consider the characteristic matrices of multiple graphs. In these cases, we will write $\displaystyle\mathbf{A}[G],\mathbf{D}[G],\mathbf{L}[G],\dotsc$ to denote the characteristic matrices of the graph $G$. ## 4 Statistics A network statistic is a numerical value that characterizes a network. Examples of network statistics are the number of nodes and the number of edges in a network, but also more complex measures such as the diameter and the clustering coefficient. Statistics are the basis of most network analysis methods; they can be used to compare networks, classify networks, detect anomalies in networks and for many other tasks. Network statistics are also used to map a network’s structure to a simple numerical space, in which many standard statistical methods can be applied. Thus, network statistics are essential for the analysis of almost all network types. All statistics described in KONECT are real numbers. This section gives the definitions for the statistics supported by KONECT, and briefly reviews their uses. All network statistics can be computed using the KONECT Toolbox using the function konect_statistic(). Each statistic has an internal name that must be passed as the first argument to konect_statistic(). The internal names are given in the margin in this section. Additionally, the KONECT Toolbox includes functions named konect_statistic_<NAME>() which compute a single statistic <NAME>. The values of selected statistics are shown for the KONECT networks on the website444konect.uni-koblenz.de/statistics. ### 4.1 Basic Network Statistics Some statistics are simple to define, trivial to compute, and are reported universally in studies about networks. These include the number of nodes, the number of edges, and statistics derived from them such as the average number of neighbors a node has. The size of a network is the number of nodes it contains, and is almost universally denoted $n$. The size of a graph is sometimes also called the order of the graph. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{size}}n\@add@raggedright$ $\displaystyle=|V|$ (34) In a bipartite graph, the size can be decomposed as $n=n_{1}+n_{2}$ with $n_{1}=|V_{1}|$ and $n_{2}=|V_{2}|$. The size of a network is not necessarily a very meaningful number. For instance, adding a node without edges to a network will increase the size of the network, but will not change anything in the network. In the case of an online social network, this would correspond to creating a user account and not connecting it to any other users – this adds an inactive user, which are often not taken into account. Therefore, a more representative measure of the _size_ of a network is actually given by the number of edges, giving the volume of a network. The volume of a network equals the number of edges and is defined as $\displaystyle\marginpar{\normalcolor\raggedright\texttt{volume}}m\@add@raggedright$ $\displaystyle=|E|.$ (35) Note that in mathematical contexts, the number of edges may be called the _size_ of the graph, in which case the number of nodes is called the _order_. In this text, we will consistently use _size_ for the number of nodes and _volume_ for the number of edges. The volume can be expressed in terms of the adjacency or biadjacency matrix of the underlying unweighted graph as $\displaystyle m$ $\displaystyle=\left\\{\begin{array}[]{ll}\frac{1}{2}\|\mathbf{A}[\bar{G}]\|_{\mathrm{F}}^{2}&\text{when $G$ is undirected}\\\ \|\mathbf{A}[\bar{G}]\|_{\mathrm{F}}^{2}&\text{when $G$ is directed}\\\ \|\mathbf{B}[\bar{G}]\|_{\mathrm{F}}^{2}&\text{when $G$ is bipartite}\end{array}\right.$ (39) The number of edges in network is often considered a better measure of the _size_ of a network than the number vertices, since a vertex unconnected to any other vertices may often be ignored. On the practical side, the volume is also a much better indicator of the amount of memory needed to represent a network. We will also make use of the number of edges without counting multiple edges. We will call this the unique volume of the graph. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{uniquevolume}}\bar{\bar{m}}\@add@raggedright$ $\displaystyle=m[\bar{\bar{G}}]$ (40) The weight $w$ of a network is defined as the sum of absolute edge weights. For unweighted networks, the weight equals the volume. For rating networks, remember that the weight is defined as the sum over ratings from which the overall mean rating has been subtracted, in accordance with the definition of the adjacency matrix for these networks. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{weight}}w\@add@raggedright$ $\displaystyle=\sum_{e\in E}|w(e)|$ (41) The average degree is defined as $\displaystyle\marginpar{\normalcolor\raggedright\texttt{avgdegree}}d\@add@raggedright$ $\displaystyle=\frac{1}{|V|}\sum_{u\in V}d(u)=\frac{2m}{n}.$ (42) The average degree is sometimes called the density. We avoid the term _density_ in KONECT as it is sometimes used for the fill, which denotes the probability that an edge exists. In bipartite networks, we additionally define the left and right average degree $\displaystyle d_{1}$ $\displaystyle=\frac{1}{|V_{1}|}\sum_{u\in V_{1}}d(u)=\frac{m}{n_{1}}$ (43) $\displaystyle d_{2}$ $\displaystyle=\frac{1}{|V_{2}|}\sum_{u\in V_{2}}d(u)=\frac{m}{n_{2}}$ (44) Note that in directed networks, the average outdegree equals the average indegree, and both are equal to $m/n$. The fill of a network is the proportion of edges to the total number of possible edges. The fill is used as a basic parameter in the Erdős–Rényi random graph model [ER59], where it denotes the probability that an edge is present between two randomly chosen nodes, and is usually called $p$, which is the notation we also use in KONECT. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{fill}}p\@add@raggedright$ $\displaystyle=\left\\{\begin{array}[]{ll}2m/[n(n-1)]&\text{when $G$ is undirected without loop}\\\ 2m/[n(n+1)]&\text{when $G$ is undirected with loops}\\\ m/[n(n-1)]&\text{when $G$ is directed without loops}\\\ m/n^{2}&\text{when $G$ is directed with loops}\\\ m/(n_{1}n_{2})&\text{when $G$ is bipartite}\end{array}\right.$ (50) In the undirected case, the expression is explained by the fact that the total number of possible edges is $n(n-1)/2$ excluding loops. The fill is sometimes also called the density of the network, in particular in a mathematical context, or the connectance of the network555Used for instance in this blog entry: proopnarine.wordpress.com/2010/02/11/graphs-and-food-webs. The maximum degree equals the highest degree value attained by any node. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{maxdegree}}d_{\max}\@add@raggedright$ $\displaystyle=\max_{u\in V}d(u)$ (51) The maximum degree can be divided by the average degree to normalize it. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{relmaxdegree}}d_{\mathrm{MR}}\@add@raggedright$ $\displaystyle=\frac{d_{\max}}{d}$ (52) In a directed network, the reciprocity equals the proportion of edges for which an edge in the opposite direction exists, i.e., that are reciprocated. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{reciprocity}}y=\frac{1}{m}|\\{(u,v)\in E\mid(v,u)\in E\\}|\@add@raggedright$ (53) The reciprocity can give an idea of the type of network. For instance, citation networks only contain only few pairs of papers that mutually cite each other. On the other hand, an email network will contain many pairs of people who have sent emails to each other. Thus, citation networks typically have low reciprocity, and communnication networks have high reciprocity. In networks that allow negative edges such as signed networks and rating networks, we may be interested in the proportion of edges that are actually negative. We call this the _negativity_ of the network. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{negativity}}\zeta\@add@raggedright$ $\displaystyle=\frac{|\\{e\in E\mid w(e)<0\\}|}{m}$ (54) ### 4.2 Connectivity Statistics Connectivity statistics measure to what extent a network is connected. Two nodes are said to be connected when they are either directly connected through an edge, or indirectly through a path of several edges. A connected component is a set of vertices all of which are connected, and unconnected to the other nodes in the network. The largest connected component in a network is usually very large and called the giant connected component. When it contains all nodes, the network is connected. The size of the largest connected component is denoted $N$. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{coco}}N\@add@raggedright$ $\displaystyle=\max_{F\subseteq\mathcal{C}}|F|$ (55) $\displaystyle\mathcal{C}$ $\displaystyle=\\{C\subseteq V\mid\forall u,v\in C:\exists w_{1},w_{2},\ldots\in V:u\sim w_{1}\sim w_{2}\sim\cdots\sim v\\}$ In bipartite networks, the number of left and right nodes in the largest connected components are denoted $N_{1}$ and $N_{2}$, with $N_{1}+N_{2}=N$. The relative size of the largest connected component equals the size of the largest connected component divided by the size of the network $\displaystyle\marginpar{\normalcolor\raggedright\texttt{cocorel}}N_{\mathrm{rel}}\@add@raggedright$ $\displaystyle=\frac{N}{n}.$ (56) We also use an inverted variant of the relative size of the largest connected component, which makes it easier to plot the values of a logarithmic scale. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{cocorelinv}}N_{\mathrm{inv}}\@add@raggedright$ $\displaystyle=1-\frac{N}{n}$ (57) In directed networks, we additionally define the size of the largest ††margin: cocos strongly connected component $N_{\mathrm{s}}$. A strongly connected component is a set of vertices in a directed graph such that any node is reachable from any other node using a path following only directed edges in the forward direction. We always have $N_{\mathrm{s}}\leq N$. ### 4.3 Count Statistics The fundamental building block of a network are the edges. Thus, the number of edges is a basic statistic of any network. To understand the structure of a network, it is however not enough to analyse edges individually. Instead, larger patterns such as triangles must be considered. These patterns can be counted, and give rise to count statistics, i.e., statistics that count the number of ocurrences of specific patterns. Table 4 gives a list of fundamental patterns in networks, and their corresponding count statistics. Table 4: Patterns that occur in networks. Each pattern can be counted, giving rise to a count statistic. Pattern | Name(s) | Count statistic | Internal name ---|---|---|--- | Edge, 1-path, 1-star, 2-clique | Volume $m$ | volume | Wedge, 2-star, 2-path | Wedge count $s$ | twostars | Claw, 3-star | Claw count $z$ | threestars | Cross, 4-star | cross count $x$ | fourstars | Triangle, 3-cycle, 3-clique | Triangle count $t$ | triangles | Square, 4-cycle | Square count $q$ | squares A star is defined as a graph in which a central node is connected to all other nodes, and no other edges are present. Specifically, a $k$-star is defined as a star in which the central node is connected to $k$ other nodes. Thus, a 2-star consists of a node connected to two other nodes, or equivalently two incident edges, or a path of length 2. The specific name for 2-stars is _wedges_. The number of wedges can be defined as $\displaystyle\marginpar{\normalcolor\raggedright\texttt{twostars}}s=\sum_{u\in V}{d(u)\choose 2}=\sum_{u\in V}\frac{1}{2}d(u)(d(u)-1),\@add@raggedright$ (58) where $d(u)$ is the degree of node $u$. Wedges have many different names: 2-stars, 2-paths and hairpins [GO12]. The number of triangles defined in the following way is independent of the orientation of edges when the graph is directed. Loops in the graph, as well as edge multiplicities, are ignored. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{triangles}}t=|\\{\\{u,v,w\\}\mid u\sim v\sim w\sim u\\}|\;/\;6\@add@raggedright$ (59) Three-stars are defined analogously to two-stars, and their count denoted $z$. Three-stars are also called _claws_ and _tripins_ [GO12]. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{threestars}}z=\sum_{u\in V}{d(u)\choose 3}=\sum_{u\in V}\frac{1}{6}d(u)(d(u)-1)(d(u)-2)\@add@raggedright$ (60) A square is a cycle of length four, and the number of squares in a graph is denoted $q$. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{squares}}q=|\\{u,v,w,x\mid u\sim v\sim w\sim x\sim u\\}|\;/\;8\@add@raggedright$ (61) The factor 8 ensures that squares are counted regardless of their edge labeling. Multiple edges are ignored in these count statistics, and edges in patterns are not allowed to overlap. Triangles and squares are both cycles – which we can generalize to $k$-cycles, sequences of $k$ distinct vertices that are cyclically linked by edges. We denote the number of $k$-cycles by $C_{k}$. For small $k$, we note the following equivalences: $\displaystyle C_{1}$ $\displaystyle=0$ $\displaystyle C_{2}$ $\displaystyle=m$ $\displaystyle C_{3}$ $\displaystyle=t$ $\displaystyle C_{4}$ $\displaystyle=q$ for graphs without loops. Cycles of length three and four have special notation: $C_{3}=t$ and $C_{4}=q$ and are called triangles and squares. A cycle cannot the same node twice. Due to this combinatorial restriction, $C_{k}$ is quite complex to compute for large $k$. Therefore, we may use _tours_ instead, defined as cyclical lists of connected vertices in which we allow several vertices to overlap. The number of $k$-tours will be denoted $T_{k}$. For computational conveniance, we will define labeled tours, where two tours are not equal when they are identical up to shifts or inversions. We note the following equalities: $\displaystyle T_{1}$ $\displaystyle=0$ $\displaystyle T_{2}$ $\displaystyle=2m$ $\displaystyle T_{3}$ $\displaystyle=6t$ $\displaystyle\marginpar{\normalcolor\raggedright\texttt{tour4}}T_{4}\@add@raggedright$ $\displaystyle=8q+4s+2m$ (62) Again, these are true when the graph is loopless. The last equality shows that trying to divide the tour count by $2k$ to count them up to shifts and inversions is a bad idea, since it cannot be implemented by dividing the present definition by $2k$. As mentioned before, counting cycles is a complex problem. Counting tours is however much easier. The number of tours of length $k$ can be expressed as the trace of a power of the graph’s adjacency matrix, and thus also as a moment of the adjacency matrix’s spectrum when $k>2$. $\displaystyle T_{k}$ $\displaystyle=\mathrm{Tr}(\mathbf{A}^{k})=\sum_{i}\lambda_{i}[\mathbf{A}]^{k}$ This remains true when the graph includes loops. ### 4.4 Degree Distribution Statistics The distribution of degree values $d(u)$ over all nodes $u$ is often taken to characterize a network. Thus, a certain number of network statistics are based solely on this distribution, regardless of overall network structure. The power law exponent is a number that characterizes the degrees of the nodes in the network. In many circumstances, networks are modeled to follow a degree distribution power law, i.e., the number of nodes with degree $n$ is taken to be proportional to the power $n^{-\gamma}$, for a constant $\gamma$ larger than one [BA99]. This constant $\gamma$ is called the power law exponent. Given a network, its degree distribution can be used to estimate a value $\gamma$. There are multiple ways of estimating $\gamma$, and thus a network does not have a single definite value of it. In KONECT, we estimate $\gamma$ using the robust method given in [New06, Eq. 5] $\displaystyle\marginpar{\normalcolor\raggedright\texttt{power}}\gamma\@add@raggedright$ $\displaystyle=1+n\left(\sum_{u\in V}\ln\frac{d(u)}{d_{\min}}\right)^{-1},$ (63) in which $d_{\min}$ is the minimal degree. The Gini coefficient is a measure of inequality from economics, typically applied to distributions of wealth or income. In KONECT, we apply it to the degree distribution, as described in [KP12]. The Gini coefficient can either be defined in terms of the Lorenz curve, a type of plot that visualizes the inequality of a distribution, or using the following expression. Let $d_{1}\leq d_{2}\leq\dotsb\leq d_{n}$ be the sorted list of degrees in the network. Then, the Gini coefficient is defined as $\displaystyle\marginpar{\normalcolor\raggedright\texttt{gini}}G\@add@raggedright$ $\displaystyle=\frac{2\sum_{i=1}^{n}id_{i}}{n\sum_{i-1}^{n}d_{i}}-\frac{n+1}{n}.$ (64) The Gini coefficient takes values between zero and one, with zero denoting total equality between degrees, and one denoting the dominance of a single node. The relative edge distribution entropy is a measure of the equality of the degree distribution, and equals one when all degrees are equal, and attains the limit value of zero when all edges attach to a single node [KP12]. It is defined as $\displaystyle\marginpar{\normalcolor\raggedright\texttt{dentropyn}}H_{\mathrm{er}}\@add@raggedright$ $\displaystyle=\frac{1}{\ln n}\sum_{u\in V}-\frac{d(u)}{2m}\ln\frac{d(u)}{2m}.$ (65) Another statistic for ††margin: own measuring the inequality in the degree distribution is associated with the Lorenz curve (see Section 6.3), and is given by the intersection point of the Lorenz curve with the antidiagonal given by $y=1-x$ [KP12]. By construction, this point equals $(1-P,P)$ for some $0<P<1$, where the value $P$ corresponds exactly to the number “25%” in the statement “25% of all users account for 75% of all friendship links on Facebook”. By construction, we can expect $P$ to be smaller when $G$ is large. The analysis of degrees can be generalized to pairs of nodes: What is the distribution of degrees for pairs of connected edges? In some networks, high- degree nodes are connected to other high-degree nodes, while low-degree nodes are connected to low-degree nodes. This property is called assortativity. Inversely, in a network with dissortativity, high-degree nodes are typically connected to low-degree and vice versa. ††margin: assortativity The amount of assortativity can be measured by the Pearson correlation $\rho$ between the degree of connected nodes. ### 4.5 Clustering Statistics The term _clustering_ refers to the observation that in almost all networks, nodes tend to form small groups within which many edges are present, and such that only few edges connected different clusters with each other. In a social network for instance, people form groups in which almost every member known the other members. Clustering thus forms one of the primary characteristics of real-world networks, and thus many statistics for measuring it have been defined. The main method for measuring clustering numerically is the clustering coefficient, of which there exist several variants. As a general rule, the clustering coefficient measures to what extent edges in a network tend to form triangles. Since it is based on triangles, it can only be applied to unipartite networks, because bipartite networks do not contain triangles. The number of triangles $t$ itself as defined in Section 4.3 is however not a statistic that can be used to measure the clustering in a network, since it correlates with the size and volume of the network. Instead, the clustering coefficients in all its variants can be understood as a count of triangles, normalized in different ways in order to compare several networks with it. The local clustering coefficient $c(u)$ of a node $u$ is defined as the probability that two randomly chosen (but distinct) neighbors of $u$ are connected [WS98]. $\displaystyle c(u)$ $\displaystyle=\left\\{\begin{array}[]{ll}\frac{\\{v,w\in V\mid u\sim v\sim w\sim u\\}}{\\{v,w\in V\mid u\sim v\neq w\sim u\\}}&\text{when }d(u)>1\\\ 0&\text{when }d(u)\leq 1\end{array}\right.$ (68) The global clustering of a network can be computed in two ways. The first way defines it as the probability that two incident edges are completed by a third edge to form a triangle [NWS02]. This is also called the transitivity ratio, or simply the transitivity. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{clusco}}c\@add@raggedright$ $\displaystyle=\frac{|\\{u,v,w\in V\mid u\sim v\sim w\sim u\\}|}{|\\{u,v,w\in V\mid u\sim v\neq w\sim u\\}|}=\frac{3t}{s}$ (69) This variant of the global clustering coefficient has values between zero and one, with a value of one denoting that all possible triangles are formed (i.e., the network consists of disconnected cliques), and zero when it is triangle free. Note that the clustering coefficient is trivially zero for bipartite graphs. This clustering coefficient is however not defined when each node has degree zero or one, i.e., when the graph is a disjoint union of edges and unconnected nodes. This is however not a problem in practice. The second variant variant of the clustering coefficient uses the average of the local clustering coefficients. This second variant was historically the first to be defined. In was defined in 1998 [WS98] and precedes the first variant by four years. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{clusco2}}c_{2}\@add@raggedright$ $\displaystyle=\frac{1}{|V|}\sum_{u\in V}c(u)$ (70) This second variant of the global clustering coefficient is zero when a graph is triangle-free, and one when the graph is a disjoint union of cliques of size at least three. This variant of the global clustering coefficient is defined for all graphs, except for the empty graph, i.e., the graph with zero nodes. A slightly different definition of the second variant computes the average only over nodes with a degree of at least two, as seen for instance in [BKM08]. Because of the arbitrary decision to define $c(u)$ as zero when the degree of $c$ is zero or one, we recommend to use the first variant of the clustering coefficient. In the following, the extensions to the clustering coefficient we present are all based on the first variant, $c$. For signed graphs, we may define the clustering coefficient to take into account the sign of edges. The signed clustering coefficient is based on balance theory [KLB09]. In a signed network, edges can be positive or negative. For instance in a signed social network, positive edges represent friendship, while negative edges represent enmity. In such networks, balance theory stipulates than triangles tend to be balanced, i.e., that three people are either all friends, or two of them are friends with each other, and enemies with the third. On the other hand, a triangle with two positive and one negative edge, or a triangle with three negative edges is unbalanced. In other words, we can define the sign of a triangle as the product of the three edge signs, which then leads to the stipulation that triangles tend to have positive weight. To extend the clustering coefficient to signed networks, we thus distinguis between balanced and unbalanced triangles, in a way that positive triangles contribute positively to the signed clustering coefficient, and negative triangles contribute negatively to it. For a triangle $\\{u,v,w\\}$, let $\sigma(u,v,w)=w(u,v)w(v,w)w(w,u)$ be the sign of the triangle, then the following definition captures the idea: $\displaystyle c_{\mathrm{s}}$ $\displaystyle=\frac{\sum_{u,v,w\in V}\sigma(u,v,w)}{|\\{u,v,w\in V\mid u\sim v\neq w\sim u\\}|}$ (71) Here, the sum is over all triangles $\\{u,v,w\\}$, but can also be taken over all triples of vertices, since $w(u,v)=0$ when $\\{u,v\\}$ is not an edge. The signed clustering coefficient is bounded by the clustering coefficient: $\displaystyle|c_{\mathrm{s}}|\leq c$ (72) The relative signed clustering coefficient can then be defined as $\displaystyle c_{\mathrm{r}}=\frac{c_{\mathrm{s}}}{c}=\frac{\sum_{u,v,w\in V}\sigma(u,v,w)}{|\\{u,v,w\in V\mid u\sim v\sim w\sim u\\}|}$ (73) which also equals the proportion of all triangles that are balanced, minus the proportion of edges that are unbalanced. ### 4.6 Distance Statistics The distance between two nodes in a network is defined as the number of edges needed to reach one node from another, and serves as the basis for a class of network statistics. A path in a network is a sequence of incident edges, or equivalently, a sequence of nodes $P=(u_{0},u_{2},\dotsc,u_{k})$, such that $(u_{i},u_{i+1})\in E$ for all $i\in\\{0,\dotsc,k-1\\}$. The number $k$ is called the length of the path, and will also be denoted $l(P)$. A further restriction can be set on the visited nodes, definining that each node can only be visited at most once. If the distinction is made, the term _path_ is usually reserved for sequences of non-repeating nodes, and general sequence of adjacent nodes are then called _walks_. We will not make this distinction here. Paths in networks can be used to model browsing behavior of people in hyperlink networks, navigation in transport networks, and other types of movement-like activities in a network. When considering navigation and browsing, an important problem is the search for shortest paths. Since the length of a path determines the number of steps needed to reach one node from another, it can be used as a measure of distance between nodes of a network. The distance defined in this way may also be called the shortest-path distance to distinguish it from other distance measures between nodes of a network. $\displaystyle d(u,v)$ $\displaystyle=\left\\{\begin{array}[]{ll}\min_{P=(u,\dotsc,v)}l(P)&\text{when $u$ and $v$ are connected}\\\ \infty&\text{when $u$ and $v$ are not connected}\end{array}\right.$ (76) In the case that a network is not connected, the distance is defined as infinite. In practice, only the largest connected component of a network may be used, making it unnecessary to deal with infinite values. The distribution of all $|V|^{2}$ values $d(u,v)$ for all $u,v\in V$ is called the distance distribution, and it too characterizes the network. The eccentricity of a node can then be defined as the maximal distance from that node to any other node, defining a measure of _non-centrality_ : $\displaystyle\epsilon(u)$ $\displaystyle=\max_{v\in V}d(u,v)$ (77) The diameter $\delta$ of a graph equals the longest shortest path in the network. It can be equivalently defined as the largest eccentricity of all nodes. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{diam}}\delta\@add@raggedright$ $\displaystyle=\max_{u\in V}\epsilon(u)=\max_{u,v\in V}d(u,v)$ (78) Note that the diameter is undefined (or infinite) in unconnected networks, and thus in numbers reported for actual networks in KONECT we consider always the diameter of the network’s largest connected component. Du to the high runtime complexity of computing the diameter, it may be estimated by various methods, in which case it is noted noted $\tilde{\delta}$. A statistic related to the diameter is the radius, defined as the smallest eccentricity $\displaystyle\marginpar{\normalcolor\raggedright\texttt{radius}}r\@add@raggedright$ $\displaystyle=\min_{u\in V}\epsilon(u)=\min_{u\in V}\max_{v\in V}d(u,v)$ (79) The diameter is bounded from below by the radius, and from above by twice the radius. $\displaystyle r\leq\delta\leq 2r$ The first inequality follows directly from the definition of $r$ and $\delta$ as the minimal and maximal eccentricity. The second inequality follows from the fact that between any two nodes, the path joining them cannot be longer that the path joining them going through a node with minimal eccentricity, which has length of at most $2r$. The radius and the diameter are not very expressive statistics: Adding or removing an edge will, in many cases, not change their values. Thus, a better statistic that reflects the typical distances in a network in given by the mean and average distance. The mean path length $\delta_{\mathrm{m}}$ in a network is defined as as the mean distance over all node pairs, including the distance between a node and itself: $\displaystyle\marginpar{\normalcolor\raggedright\texttt{meandist}}\delta_{\mathrm{m}}\@add@raggedright$ $\displaystyle=\frac{1}{n^{2}}\sum_{u\in V}\sum_{v\in V}d(u,v)$ (80) The mean path length defined in this way is undefined when a graph is disconnected. ††margin: mediandist Likewise, the median path length $\delta_{\mathrm{M}}$ is the median length of shortest paths in the network. In KONECT, both the median and mean path lengths are computed taking into account node pairs of the form $(u,u)$. Both the mean and median path length can be called the _characteristic path length_ of the network. A related statistic is the 90-percentile effective diameter $\delta_{0.9}$, which equals the number of edges needed on average to reach 90% of all other nodes. ### 4.7 Algebraic Statistics Algebraic statistics are based on a network’s characteristic matrices. They are motivated by the broader field of spectral graph theory, which characterizes graphs using the spectra of these matrices [Chu97]. In the following we will denote by $\lambda_{k}[\mathbf{X}]$ the $k$th dominant eigenvalue of the matrix $\mathbf{X}$. For the adjacency matrix $\mathbf{A}$, the dominant eigenvalues are the largest absolute ones; for the Laplacian $\mathbf{L}$ they are the smallest ones. Also, the matrix $\mathbf{L}$ will only be considered for the network’s largest connected component. The spectral norm of a network equals the spectral norm (i.e., the largest absolute eigenvalue) of the network’s adjacency matrix $\displaystyle\marginpar{\normalcolor\raggedright\texttt{snorm}}\left\|\mathbf{A}\right\|_{2}.\@add@raggedright$ $\displaystyle=|\lambda_{1}[\mathbf{A}]|$ (81) The spectral norm can be understood as an alternative measure of the size of a network. The algebraic connectivity equals the second smallest nonzero eigenvalue of $\mathbf{L}$ [Fie73] $\displaystyle\marginpar{\normalcolor\raggedright\texttt{alcon}}a\@add@raggedright$ $\displaystyle=\lambda_{2}[\mathbf{L}].$ (82) The algebraic connectivity is zero when the network is disconnected – this is one reason why we restrict the matrix $\mathbf{L}$ to each network’s giant connected component. The algebraic connectivity is larger the better the network’s largest connected component is connected. In signed and ratings networks, i.e., networks in which the weights of node pairs can be negative, the smallest eigenvalue of $\mathbf{L}$ can be larger than zero. (In other networks, it is always zero.) The algebraic conflict equals this smallest eigenvalue $\displaystyle\marginpar{\normalcolor\raggedright\texttt{conflict}}\xi\@add@raggedright$ $\displaystyle=\lambda_{1}[\mathbf{L}].$ (83) The algebraic conflict measures the amount of conflict in the network, i.e., the tendency of the network to contain cycles with an odd number of negatively weighted edges. ### 4.8 Bipartivity Statistics Some unipartite networks are almost bipartite. Almost-bipartite networks include networks of sexual contact [LEA+01] and ratings in online dating sites [BP07, KGG12]. Other, more subtle cases, involve online social networks. For instance, the follower graph of the microblogging service Twitter is by construction unipartite, but has been observed to reflect, to a large extent, the usage of Twitter as a news service [KLPM10]. This is reflected in the fact that it is possible to indentify two kinds of users: Those who primarily get followed and those who primarily follow. Thus, the Twitter follower graph is almost bipartite. Other social networks do not necessarily have a near- bipartite structure, but the question might be interesting to ask to what extent a network is bipartite. To answer this question, measures of bipartivity have been developed. Instead of defining measures of bipartivity, we will instead consider measures of non-bipartivity, as these can be defined in a way that they equal zero when the graph is zero. Given an (a priori) unipartite graph, a measure of non- bipartivity characterizes the extent to which it fails to be bipartite. These measures are defined for all networks, but are trivially zero for bipartite networks. For non-bipartite networks, they are larger than zero. A first measure of bipartivity consists in counting the minimum number of _frustrated edges_ [HLEK03]. Given a bipartition of vertices $V=V_{1}\cup V_{2}$, a frustrated edge is an edge connecting two nodes in $V_{1}$ or two nodes in $V_{2}$. Let $f$ be the minimal number of frustrated edges in any bipartition of $V$, or, put differently, the minimum number of edges that have to be removed from the graph to make it bipartite. Then, a measure of non- bipartivity is given by $\displaystyle\marginpar{\normalcolor\raggedright\texttt{frustration}}F\@add@raggedright$ $\displaystyle=\frac{f}{|E|}.$ (84) This statistic is always in the range $[0,1/2]$. It attains the value zero if and only if $G$ is bipartite. The minimal number of frustrated edges $f$ can be approximated by algebraic graph theory. First, we represent a bipartition $V=V_{1}\cup V_{2}$ by its characteristic vector $\mathbf{x}\in\mathbb{R}^{|V|}$ defined as $\displaystyle\mathbf{x}_{u}$ $\displaystyle=\left\\{\begin{array}[]{ll}+1/2&\text{when $u\in V_{1}$}\\\ -1/2&\text{when $u\in V_{2}$}\end{array}\right.$ Note that the number of edges connecting the sets $V_{1}$ and $V_{2}$ is then given by $\displaystyle\left\\{\\{u,v\\}\mid u\in V_{1},v\in V_{2}\right\\}=\frac{1}{2}\mathbf{x}^{\mathrm{T}}\mathbf{K}[\bar{G}]\mathbf{x}$ $\displaystyle=\frac{1}{2}\sum_{(u,v)\in E}(\mathbf{x}_{u}+\mathbf{x}_{v})^{2},$ where $\mathbf{K}[\bar{G}]=\mathbf{D}[\bar{G}]+\mathbf{A}[\bar{G}]$ is the signless Laplacian matrix of the underlying unweighted graph. Thus, the minimal number of frustrated edges $f$ is given by $\displaystyle f$ $\displaystyle=\min_{\mathbf{x}\in\\{\pm 1/2\\}^{|V|}}\frac{1}{2}\mathbf{x}^{\mathrm{T}}\mathbf{K}[\bar{G}]\mathbf{x}.$ By relaxing the condition $\mathbf{x}\in\\{\pm 1/2\\}^{|V|}$, we can express $f$ in function of $\mathbf{K}[\bar{G}]$’s minimal eigenvalue, using the fact that the norm of all vectors $\mathbf{x}\in\\{\pm 1/2\\}^{|V|}$ equals $\sqrt{|V|/4}$, and the property that the minimal eigenvalue of a matrix equals its minimal Rayleigh quotient. $\displaystyle\frac{2f}{|V|/4}$ $\displaystyle\approx\min_{\mathbf{x}\neq\mathbf{0}}\frac{\mathbf{x}^{\mathrm{T}}\mathbf{K}[\bar{G}]\mathbf{x}}{\left\|\mathbf{x}\right\|^{2}}=\lambda_{\min}[\mathbf{K}[\bar{G}]]$ We can thus approximate the previous measure of non-bipartivity by $\displaystyle\marginpar{\normalcolor\raggedright\texttt{anticonflict}}\tilde{F}\@add@raggedright$ $\displaystyle=\frac{|V|}{8|E[\bar{G}]|}\lambda_{\min}[\mathbf{K}[\bar{G}]]$ (85) The eigenvalue $\lambda_{\min}[\mathbf{K}[\bar{G}]]$ can also be interpreted as the algebraic conflict in $G$ interpreted as a signed graph in which all edges have negative weight. A further measure of bipartivity exploits the fact that the adjacency matrix $\mathbf{A}$ of a bipartite graph has eigenvalues symmetric around zero, i.e., all eigenvalues of a bipartite graph come in pairs $\pm\lambda$. Thus, the ratio of the smallest and largest eigenvalues can be used as a measure of non- bipartivity $\displaystyle\marginpar{\normalcolor\raggedright\texttt{nonbip}}b_{\mathrm{A}}\@add@raggedright$ $\displaystyle=1-\left|\frac{\lambda_{\min}[\mathbf{A}[\bar{G}]]}{\lambda_{\max}[\mathbf{A}[\bar{G}]]}\right|,$ (86) where $\lambda_{\min}$ and $\lambda_{\max}$ are the smallest and largest eigenvalue of the given matrix, and $\bar{G}$ is the unweighted graph underlying $G$. Since the largest eigenvalue always has a larger absolute value than the smallest eigenvalue (due to the Perron–Frobenius theorem, and from the nonnegativity of $\mathbf{A}[\bar{G}]$), it follows that this measure of non-bipartivity is always in the interval $[0,1)$, with zero denoting a bipartite network. Another spectral measure of non-bipartivity is based on considering the smallest eigenvalue of the matrix $\mathbf{N}[\bar{G}]$. This eigenvalue is $-1$ exactly when $G$ is bipartite. Thus, this value minus one is a measure of non-bipartivity. Equivalently, it equals two minus the largest eigenvalue of the normalized Laplacian matrix $\mathbf{Z}$. $\displaystyle\marginpar{\normalcolor\raggedright\texttt{nonbipn}}b_{\mathrm{N}}\@add@raggedright$ $\displaystyle=\lambda_{\min}[\mathbf{N}[\bar{G}]]+1=2-\lambda_{\max}[\mathbf{Z}[\bar{G}]]$ (87) ## 5 Features A feature is a numerical characteristic of a node, such as the degree and the eccentricity. The degree is defined as the number ††margin: degree of neighbors of a node. ## 6 Plots Plots are drawn to visualize a certain aspect of a dataset. These plots can be used to compare several network visually, or to illustrate the definition of a certain numerical statistic. As a running example, we show the plots for the Wikipedia elections network (EL). Plots for all networks (in which computation was feasible) are shown on the KONECT website666konect.uni-koblenz.de/plots. The KONECT Toolbox contains Matlab code for generating these plot types. ### 6.1 Temporal Distribution The temporal distributions shows the distribution of edge creation times. It is only defined for networks with known edge creation times. The X axis is the time, and the Y axis is the number of edges added during each time interval. Figure 2: The temporal distribution of edges for the Wikipedia elections network. ### 6.2 Edge Weight and Multiplicity Distribution The edge weight and multiplicity distribution plots show the distribution of edge weights and of edge multiplicities, respectively. They are not generated for unweighted networks. The X axis shows values of the edge weights or multiplicities, and the Y axis shows frequencies. Edge multiplicity distributions are plotted on doubly logarithmic scales. (a) Edge weight distribution (b) Edge multiplicity distribution Figure 3: The distribution of (a) edge weights for the MovieLens rating network (M2) and (b) edge multiplicities for the German Wikipedia edit network (de). ### 6.3 Degree Distribution The distribution of degree values $d(u)$ over all vertices $u$ characterizes the network as a whole, and is often used to visualize a network. In particular, a power law is often assumed, stating that the number of nodes with $n$ neighbors is proportional to $n^{-\gamma}$, for a constant $\gamma$ [BA99]. This assumption can be inspected visually by plotting the degree distribution on a doubly logarithmic scale, on which a power law renders as a straight line. KONECT supports two different plots: The degree distribution, and the cumulative degree distribution. The degree distribution shows the number of nodes with degree $n$, in function of $n$. The cumulative degree distribution shows the probability that the degree of a node picked at random is larger than $n$, in function of $n$. Both plots use a doubly logarithmic scale. Another visualization of the degree distribution supported by KONECT is in the form of the Lorenz curve, a type of plot to measure inequality originally used in economics (not shown). (a) Degree distribution (b) Cumulative degree distribution Figure 4: The degree distribution and cumulative degree distribution for the Wikipedia election network (EL). The Lorenz curve is a tool originally from economics that visualizes statements of the form “X% of nodes with smallest degree account for Y% of edges”. The set of values $(X,Y)$ thus defined is the Lorenz curve. In a network the Lorenz curve is a straight diagonal line when all nodes have the same degree, and curved otherwise [KP12]. The area between the Lorenz curve and the diagonal is half the Gini coefficient (see above). Figure 5: The Lorenz curve for the Wikipedia election network (EL). ### 6.4 Out/indegree Comparison The out/indegree comparison plots show the joint distribution of outdegrees and indegrees of all nodes of directed graphs. The plot shows, for one directed network, each node as a point, which the outdegree on the X axis and the indegree on the Y axis. An example is shown in Figure 6 for the Wikipedia elections network. Figure 6: The out/indegree comparison plot of the Wikipedia election network (EL). ### 6.5 Assortativity Plot In some networks, nodes with high degree are more often connected with other nodes of high degree, while nodes of low degree are more often connected with other nodes of low degree. This property is called assortativity, i.e., such networks are said to be assortativity. On the other hand, some networks, are dissortative, i.e., in them nodes of high degree are more often connected to nodes of low degree and vice versa. In addition to the assortativity $\rho$ defined as the Pearson correlation coefficient between the degrees of connected nodes, the assortativity or dissortativity of networks may be analyse by plotting all nodes of a network by their degree and the average degree of their neighbors. Thus, the assortativity plot of a network shows all nodes of a network with the degree on the X axis, and the average degree of their neighbors on the Y axis. An example of the assortativity plot is shown for the Wikipedia elections network in Figure 7. Figure 7: The assortativity plot of the Wikipedia election network (EL). ### 6.6 Clustering Coefficient Distribution In Section 4.5, we defined the clustering coefficient of a node in a graph as the propotion of that node’s neighbors that are connected, and proceeded to define the clustering coefficient as the corresponding measure applied to the whole network. In some case however, we may be interested in the distribution of the clustering coefficient over the nodes in the network. For instance, a network could have some very clustered parts, and some less clustered parts, while another network could have many nodes with a similar, average clustering coefficient. Thus, we may want to consider the distribution of clustering coefficient. This distribution can be plotted as a cumulated plot. Figure 8: The clustering coefficient distribution for Facebook link network (Ol). ### 6.7 Spectral Plot The eigenvalues of a network’s characteristic matrices $\mathbf{A}$, $\mathbf{N}$ and $\mathbf{L}$ are often used to characterize the network as a whole. KONECT supports computing and visualizing the spectrum (i.e., the set of eigenvalues) of a network in multiple ways. Two types of plots are supported: Those showing the top-$k$ eigenvalues computed exactly, and those showing the overall distribution of eigenvalues, computed approximately. The eigenvalues of $\mathbf{A}$ are positive and negative reals, the eigenvalues of $\mathbf{N}$ are in the range $[-1,+1]$, and the eigenvalues of $\mathbf{L}$ are all nonnegative. For $\mathbf{A}$ and $\mathbf{N}$, the largest absolute eigenvalues are used, while for $\mathbf{L}$ the smallest eigenvalues are used. The number of eigenvalue shown $k$ depends on the network, and is chosen by KONECT such as to result in reasonable runtimes for the decomposition algorithms. (a) Top-$k$ eigenvalues of $\mathbf{A}$ (b) Cumulative eigenvalue distribution of $\mathbf{N}$ Figure 9: The top-$k$ eigenvalues of $\mathbf{A}$ and the cumulative spectral distribution of $\mathbf{N}$ for the Wikipedia election network (EL). In the first plot (a), positive eigenvalues are shown in green and negative ones in red. Two plots are generated: the non-cumulative eigenvalue distribution, and the cumulative eigenvalue distribution. For the non-cumulative distribution, the absolute $\lambda_{i}$ are shown in function of $i$ for $1\leq i\leq k$. The sign of eigenvalues (positive and negative) is shown by the color of the points (green and red). For the cumulated eigenvalue plots, the range of all eigenvalues is computed, divided into 49 bins (an odd number to avoid a bin limit at zero for the matrix $\mathbf{N}$), and then the number of eigenvalues in each bin is computed. The result is plotted as a cumulated distribution plot, with boxes indicating the uncertainty of the computation, due to the fact that eigenvalues are not computed exactly, but only in bins. ### 6.8 Complex Eigenvalues Plot The adjacency matrix of an undirected graph is symmetric and therefore its eigenvalues are real. For directed graphs however, the adjacency matrix $\mathbf{A}$ is asymmetric, and in the general case its eigenvalues are complex. We thus plot, for directed graphs, the top-$k$ complex eigenvalues by absolute value of the adjacency matrix $\mathbf{A}$. Three properties can be read off the complex eigenvalues: whether a graph is nearly acyclic, whether a graph is nearly symmetric, and whether a graph is nearly bipartite. If a directed graph is acyclic, its adjacency matrix is nilpotent and therefore all its eigenvalues are zero. The complex eigenvalue plot can therefore serve as a test for networks that are nearly acyclic: the smaller the absolute value of the complex eigenvalues of a directed graph, the nearer it is to being acyclic. When a directed network is symmetric, i.e., all directed edges come in pairs connecting two nodes in opposite direction, then the adjacency matrix $\mathbf{A}$ is symmetric and therefore all its eigenvalues are complex. Thus, a nearly symmetric directed network has complex eigenvalues that are near the real line. Finally, the eigenvalues of a bipartite graph are symmetric around the imaginary axis. In other words, if $a+bi$ is an eigenvalue, then so is $-a+bi$ when the graph is bipartite. Thus, the amount of symmetric along the imaginary axis is an indicator for bipartivity. Note that bipartivity here takes into account edge directions: There must be two groups such that all (or most) directed edges go from the first group to second. Figure 10 shows two examples of such plots. (a) Wikipedia elections (b) UC Irvine messages Figure 10: The top-$k$ complex eigenvalues $\lambda_{i}$ of the asymmetric adjacency matrix $\mathbf{A}$ of the directed Wikipedia election (EL) and UC Irvine messages (UC) networks. ### 6.9 Distance Distribution Plot Distance statistics can be visualized in the distance distribution plot. The distance distribution plot shows, for each integer $k$, the number of node pairs at distance $k$ from each other, divided by the total number of node pairs. The distance distribution plot can be used to read off the diameter, the median path length, and the 90-percentile effective diameter (see Section 4.6). For temporal networks, the distance distribution plot can be shown over time. The non-temporal distance distribution plot shows the cumulated distance distribution function between all node pairs $(u,v)$ in the network, including pairs of the form $(u,u)$, whose distance is zero. The temporal distance distribution plot shows the same data in function of time, with time on the X axis, and each colored curve representing one distance value. (a) Distance distribution plot (b) Temporal distance distribution plot Figure 11: The distance distribution plot and temporal distance distribution plot of the Wikipedia election network (EL). ### 6.10 Graph Drawings A graph drawing is a representation of a graph, showing its vertices and egdes laid out in two (or three) dimensions in order for the graph structure to become visible. Graph drawings are easy to produce when a graph is small, and become harder to generate and less useful when a graph is larger. Given a graph, a graph drawing can be specified by the placement of its vertices in the plane. To determine such a placement is a non-trivial problem, for which many algortihms exist, depending on the required properties of the drawing. For instance, each vertex should be placed near to its neighbors, vertices should not be drawn to near to each other, and edges should, if possible, not cross each other. It is clear that it is impossible to fulfill all these requirements at once, and thus no best graph drawing exists. In KONECT, we show drawings of small graphs only, such that vertices and edges remain visible. The graph drawings in KONECT are spectral graph drawings, i.e., they are based on the eigenvectors of characteric graph matrices. In particular, KONECT included graph drawings based on the adjacency matrix $\mathbf{A}$, the normalized adjacency matrix $\mathbf{N}$ and the Laplacian matrix $\mathbf{L}$. Let $\mathbf{x}$ and $\mathbf{y}$ be the two chosen eigenvector of each matrix, then the coordinate of the node $u\in V$ is given by $\mathbf{x}_{u}$ and $\mathbf{y}_{u}$. For the adjacency matrix $\mathbf{A}$ and the normalized adjacency matrix $\mathbf{N}$, we use the two eigenvector with largest absolute eigevalue. For the Laplacian matrix $\mathbf{L}$, we use the two eigenvectors with smallest nonzero eigenvalue. Examples for the Zachary karate club social network (ZA) are shown in Figure 12. (a) Adjacency matrix $\mathbf{A}$ (b) Normalized adjacency matrix $\mathbf{N}$ (c) Laplacian $\mathbf{L}$ Figure 12: Drawings of the Zachary karate club social network (ZA) using (a) the adjacency matrix $\mathbf{A}$, (b) the normalized adjacency matrix $\mathbf{N}$, (c) the Laplacian matrix $\mathbf{L}$. ## 7 Matrices and Matrix Decompositions In this section, we review characteristic graph matrices, their decompositions, and their uses. Matrix decompositions are implemented in the KONECT Toolbox by the konect_decomposition() function. Each decomposition has a name, which is given in the margin in the following. ### 7.1 Undirected Graphs These matrices and decompositions apply to undirected graphs natively. #### 7.1.1 Symmetric Adjacency matrix The symmetric adjacency matrix $\mathbf{A}$ is the most basic graph characteristic matrix. It is a symmetric $n\times n$ matrix defined as $\mathbf{A}_{uv}=1$ when the nodes $u$ and $v$ are connected, and $\mathbf{A}_{uv}=0$ when $u$ and $v$ are not connected. The eigenvalue decomposition of the matrix $\mathbf{A}$ for undirected graphs is widely used to analyse graphs: $\displaystyle\marginpar{\normalcolor\raggedright\texttt{sym}}\mathbf{A}\@add@raggedright$ $\displaystyle=\mathbf{U}\mathbf{\Lambda}\mathbf{U}^{\mathrm{T}}$ (88) $\mathbf{\Lambda}$ is an $n\times n$ real diagonal matrix containing the eigenvalues of $\mathbf{A}$, i.e., $\mathbf{\Lambda}_{ii}=\lambda_{i}[\mathbf{A}]$. $\mathbf{U}$ is an $n\times n$ orthogonal matrix having the corresponding eigenvectors as columns. The largest absolute eigenvalue of $\mathbf{A}$ is the networks spectral norm, i.e., $\displaystyle\max_{i}|\Lambda_{ii}|$ $\displaystyle=\left\|\mathbf{A}\right\|_{2}.$ The sum of all eigenvalues $\lambda_{i}$ equal the trace of $\mathbf{A}$, i.e., the sum of its diagonal elements. The sum of the eigenvalues of $\mathbf{A}$ thus equals the number of loops in the graphs. In particular, when a graph has no loops, then the sum of the eigenvalues of its adjacency matrix is zero. Higher moments the eigenvalues of $\mathbf{A}$ give the number of tours in the graph. Remember that a tour of length $k$ is defined as a sequence of $k$ connected nodes, such that the first and the last node are connected, such that two tours are considered as distinct when they have a different starting node or orientation. The sum of $k$th powers of the eigenvalues of $\mathbf{A}$ then equals the number of $k$-tours $T_{k}$. We thus have in a loopless graph, that the traces of powers of $\mathbf{A}$ are related to the number of edges $m$, the number of triangles $t$, the number of squares $q$ and the number of wedges $s$ by: $\displaystyle\mathrm{Tr}(\mathbf{A})$ $\displaystyle=0$ $\displaystyle\mathrm{Tr}(\mathbf{A}^{2})$ $\displaystyle=2m$ $\displaystyle\mathrm{Tr}(\mathbf{A}^{3})$ $\displaystyle=6t$ $\displaystyle\mathrm{Tr}(\mathbf{A}^{4})$ $\displaystyle=8q+4s+2m$ The traces of $\mathbf{A}$ can also be expressed as sums of powers (moments) of the eigenvalues of $\mathbf{A}$: $\displaystyle\mathrm{Tr}(\mathbf{A}^{k})$ $\displaystyle=\sum_{i=1}^{n}\lambda_{i}^{k}$ The spectrum of $\mathbf{A}$ can also be characterized in terms of graph bipartivity. When the graph is bipartite, then all eigenvalues come in pairs $\\{\pm\lambda\\}$, i.e., they are distributed around zero symmetrically. When the graph is not bipartite, then their distribution is not symmetric. It follows that when the graph is bipartite, the smallest and largest eigenvalues have the same absolute value. #### 7.1.2 Laplacian Matrix The Laplacian matrix of an undirected graph is defined as $\displaystyle\mathbf{L}$ $\displaystyle=\mathbf{D}-\mathbf{A},$ i.e., the diagonal degree matrix from which we subtract the adjacency matrix. We consider the eigenvalue decomposition of the Laplacian: $\displaystyle\marginpar{\normalcolor\raggedright\texttt{lap}}\mathbf{L}\@add@raggedright$ $\displaystyle=\mathbf{U}\mathbf{\Lambda}\mathbf{U}^{\mathrm{T}}$ The Laplacian matrix of positive-semidefinite, i.e., all eigenvalues are nonnegative. When the graph is unsigned, the smallest eigenvalue is zero and its multiplicity equals the number of connected components in the graph. The second-smallest eigenvalue is called the algebraic connectivity of the graph, and is denoted $a=\lambda_{2}[\mathbf{L}]$ [Fie73]. If the graph is unconnected, that value is zero, i.e., an unconnected graph has an algebraic connectivity of zero. When the graph is connected, the eigenvector corresponding to eigenvalue zero is a constant vector, i.e., a vector with all entries equal. The eigenvector corresponding the the second-smallest eigenvalue is called the Fiedler vector, and can be used to cluster nodes in the graph. Together with further eigenvectors, it can be used to draw graphs [KSLL10]. When the graph is signed, i.e., when the grpah admits edges with negative weights, then the smallest eigenvalue of $\mathbf{L}$ is called the algebraic conflict $\xi$. It is zero if and only if the graph is balanced, i.e., when the nodes can be divided into two groups such that all positive edges connect nodes within the same group, and all negative edges connect nodes of different groups. Equivalently, $\xi$ is larger than zero if and only if each connected component contains at least one cycle with an odd number of negative edges. #### 7.1.3 Normalized Adjacency Matrix The normalized adjacency matrix $\mathbf{N}$ of an undirected graph is defined as $\displaystyle\mathbf{N}$ $\displaystyle=\mathbf{D}^{-1/2}\mathbf{A}\mathbf{D}^{-1/2},$ where we remind the reader that the diagonal matrix $\mathbf{D}$ contains the node degrees, i.e., $\mathbf{D}_{uu}=d(u)$. The matrix $\mathbf{N}$ is symmetric and its eigenvalue decomposition can be considered: $\displaystyle\marginpar{\normalcolor\raggedright\texttt{sym-n}}\mathbf{N}=\mathbf{U}\mathbf{\Lambda}\mathbf{U}^{\mathrm{T}}\@add@raggedright$ (89) The eigenvalues $\lambda_{i}$ of $\mathbf{N}$ can be used to characterize thge graph, in analogy with those of the nonnormalized adjacency matrix. All eigenvalues of $\mathbf{N}$ are contained in the range $[-1,+1]$. When the graph is insigned, the largest eigenvalue is one. Minus one is the smallest eigenvalue if and only iff the graph is bipartite. As with the nonnormalized adjacency matrix, the eigenvalues of $\mathbf{N}$ are distributed symmetrically around zero if and only if the graph is bipartite. When the graph is connected, the eigenvector corresponding to eigenvalue one has entries proportional to the square root of node degrees, i.e. $\displaystyle\mathbf{U}_{u1}$ $\displaystyle=\sqrt{\frac{d(u)}{2m}}$ #### 7.1.4 Normalized Laplacian Matrix The Laplacian matrix too, can be normalized. It turns out that the normalized Laplacian and the normalized adjacency matrix are tighly related to each other: They share the same set of eigenvectors, and their eigenvalues are reflectopms of each other. The normalized Laplacian matrix of an undirected graph is defined as $\displaystyle\mathbf{Z}$ $\displaystyle=\mathbf{D}^{-1/2}\mathbf{L}\mathbf{D}^{-1/2}.$ As opposed to $\mathbf{A}$, $\mathbf{L}$ and $\mathbf{N}$, there is no standardized notation of the normalized Laplacian. The notation $\mathbf{Z}$ is specific to KONECT. The normalized Laplacian is related to the normalized adjacency matrix by $\displaystyle\mathbf{Z}$ $\displaystyle=\mathbf{I}-\mathbf{N},$ as can be derived directly from their definitions. It follows that $\mathbf{Z}$ and $\mathbf{N}$ have the same set of eigenvectors, and that their eigenvalues are related by the transformation $1-\lambda$. Thus, the properties of $\mathbf{Z}$ can be derived from those of $\mathbf{N}$. For instance, all eigenvalues of $\mathbf{Z}$ are contained in the range $[0,2]$, and the multiplicity of the eigenvalue zero equals the number of connected components (when the graph is unsigned). If the graph is connected, the eigenvector of eigenvalue zero contains entries proportional to the square root of the node degrees. In KONECT, the decomposition of the normalized Laplacian is not included, since it can be derived from that of the normalized adjacency matrix. #### 7.1.5 Stochastic Adjacency Matrix The matrix $\displaystyle\mathbf{P}$ $\displaystyle=\mathbf{D}^{-1}\mathbf{A}$ is called the stochastic adjacency matrix. This matrix is asymmetric, even when the graph is undirected. ††margin: stoch1 Thus, its eigenvalue decomposition is not always defined, and in any case may not involve orthogonal matrices. For directed graphs we may distinguish the right-stochastic (or row- stochastic) matrix $\mathbf{D}^{-1}\mathbf{A}$ and the left-stochastic (or column-stochastic) matrix $\mathbf{A}\mathbf{D}^{-1}$. Note the subtle terminology: $\mathbf{D}^{-1}\mathbf{A}$ is left-normalized but right- stochastic. The eigenvalues of $\mathbf{P}$ are contained in the range $[-1,+1]$. This matrix is related to the normalized adjacency matrix $\mathbf{N}$ by $\displaystyle\mathbf{P}$ $\displaystyle=\mathbf{D}^{-1/2}\mathbf{N}\mathbf{D}^{1/2}$ and therefore both matrices have the same set of eigenvalues, and the eigenvectors of $\mathbf{P}$ are related to those of $\mathbf{N}$ by factors of the diagonal elements of $\mathbf{D}^{1/2}$, i.e., the square roots of node degrees. As a consequence, $\mathbf{P}$ has all-real eigenvalues for undirected graphs (even though it is asymmetric). Since $\mathbf{P}$ is asymmetric, its left eigenvectors differ from its right eigenvectors. When the graph is undirected, the left eigenvector corresponding to the eigenvalue one has entries proportional to the degree of nodes, while the right eigenvector corresponding to the eigenvalue one is the constant vector. The matrix $\mathbf{P}$ is the state transition matrix of a random walk on the graph, and thus its largest eigenvector is one if the graph is (strongly) connected. The matrix $\mathbf{P}$ is also related to the PageRank matrix, which equals $(1-\alpha)\mathbf{P}+\alpha\mathbf{J}$ for some number $0<\alpha<1$, where $\mathbf{J}$ is the matrix containing all ones. The left eigenvalues of the PageRank matrix give the PageRank values, and thus we see that (ignoring the teleportation term), the PageRank of nodes in an undirected network equals the degrees of the nodes. The alternative matrix $\mathbf{A}\mathbf{D}^{-1}$ can also be considered. ††margin: stoch2 It is left-stochastic, and can be derived by considering random walks that tranverse edges in a backward direction. #### 7.1.6 Stochastic Laplacian Matrix A further variant of the Laplacian exists, based on the stochastic adjacency matrix: $\displaystyle\mathbf{S}$ $\displaystyle=\mathbf{I}-\mathbf{P}=\mathbf{I}-\mathbf{D}^{-1}\mathbf{A}=\mathbf{I}-\mathbf{D}^{-1/2}\mathbf{N}\mathbf{D}^{1/2}=\mathbf{D}^{-1/2}\mathbf{Z}\mathbf{D}^{1/2}$ This matrix shares much properties with $\mathbf{P}$ and thus with $\mathbf{N}$ and $\mathbf{Z}$. #### 7.1.7 Signless Laplacian The signless Laplacian of a graph is defined as the Laplacian of the corresponding graph in which all edges are interpreted as negative. It thus equals $\displaystyle\marginpar{\normalcolor\raggedright\texttt{lapq}}\mathbf{K}\@add@raggedright$ $\displaystyle=\mathbf{D}+\mathbf{A}$ (90) This matrix is positive-semidefinite, and its smallest eigenvalue is zero if and only if the graph is bipartite. Thus, $\mathbf{K}$ is used in measures of bipartivity. ## 8 KONECT Toolbox The KONECT Toolbox777konect.uni-koblenz.de/toolbox for Matlab is a set of functions for the Matlab programming language888www.mathworks.com/products/matlab containing implementations of statistics, plots and other network analysis methods. The KONECT Toolbox is used to generate the numerical statistics and plots in this handbook as well as on the KONECT website. ##### Installation The KONECT Toolbox is provided as a directory containing *.m files. The directory can be added to the Matlab path using addpath() to be used. ##### Usage All functions have names beginning with konect_. ### 8.1 Examples This section gives short example for using the toolbox. The examples can be executed in Matlab. ##### Load a unipartite dataset This example loads the Slashdot signed social network. T = load(’out.slashdot-zoo’); n = max(max(T(:,1:2))); A = sparse(T(:,1), T(:,2), T(:,3), n, n); This loads the weighted adjacency matrix of the Slashdot Zoo into the matrix A. ### 8.2 Variables Naming variables can be quite complicated and hard to read in Matlab. Therefore KONECT code follows these rules. Long variable names (containing full words) are in all-lowercase. Words are separated by underscore. When refering to a variable in comments, the variable is written in all-uppercase. Short variable names (letters) are lowercase for numbers and vectors, and uppercase for matrices. #### 8.2.1 Strings Table 5 shows common variable names used for string variables. Table 5: Long variable names of string type used in KONECT. network | The internal network name, e.g., “advogato”. The internal network name is used in the names of files related to the network. ---|--- class | The internal name for a set of networks, e.g., “test”, “1”, “2”, “3”. The class “N” includes the $10\times N$ smallest networks. code | The 1/2/3-character code for a network, e.g., “EN” for Enron. curve | The internal name of a curve fitting method. decomposition | The internal of a matrix decomposition, as passed to the function konect_decomposition(), e.g., “sym”, “asym” and “lap”. feature | The internal name of a feature, e.g., “degree” and “decomp.sym”. filename | A filename. format | The network format in lower case as defined in the function konect_consts(), e.g., “sym” and “bip”. label | The readable name of things used in plots, tables, etc. measure | The internal name of a measure of link prediction accuracy, e.g., “map” and “auc”. method | The internal name of a link prediction method. statistic | The internal name of a network statistic, e.g., “power” and “alcon”. transform | The name of a transform, e.g. “simple” and “lcc”. type | The internal name of the computation type. This can be “split” or “full”. This decides which version of a network gets used, in particular for time-dependent analyses. weights | The edge weight type as defined in the function konect_consts(), e.g., “unweighted” and “signed”. #### 8.2.2 Scalars Table 6 shows variable names used for scalar values. Table 6: Variable names used for scalars in KONECT. n, n1, n2 | Row/column count in matrices, left/right vertex count ---|--- r | Rank of a decomposition m | Edge count i, j | Vertices as integer, i.e., indexes in rows and columns. prediction | A link prediction score, i.e., a value returned by a link prediction algorithm for a given node pair. precision | The prediction accuracy value, typically between 0 and 1. means | Values used for additive (de)normalization, as a structure. #### 8.2.3 Matrices Table 7 shows variable names used for matrix-valued variables. Note that when the adjacency matrix of an undirected graph is stored in a variable, each edge is usually stored just once, instead of twice. In other words, the variable A for undirected networks does not equal the matrix $\mathbf{A}$, instead the expression A + A’ does. Table 7: Variable names used for matrices in KONECT. A | ($n\times n$) Adjacency matrix (in code where the adjacency and biadjacency matrix are distinguished) ---|--- A | ($n\times n$ or $n_{1}\times n_{2}$) Adjacency or biadjacency matrix (in code where the two are not distinguished) B | ($n_{1}\times n_{2}$) Biadjacency matrix (in code where the adjacency and biadjacency matrix are distinguished) D | ($r\times r$) Central matrix; e.g., eigenvalues; as matrix dd | ($r\times 1$) Diagonal of the central matrix L | ($n\times n$) Laplacian matrix M, N | Normalized (bi)adjacency matrix T | ($m\times 2$ or $m\times 3$ or $m\times 4$) Compact adjacency matrix, as stored in out.* files, and such that it can be converted to a sparse matrix using konect_spconvert(). | First column: row IDs | Second column: column IDs | Third column (optional): edge weights (1 if not present) | Fourth column (optional): timestamps in Unix time U | ($n\times r$ or $n_{1}\times r$) Left part of decomposition; e.g., left eigenvectors V | ($n\times r$ or $n_{2}\times r$) Right part of decomposition; e.g., right eigenvectors X | ($r\times r$) Central matrix, when explicitly nondiagonal Z | ($n\times n$) Normalized Laplacian matrix #### 8.2.4 Compound Types A struct containing elements whose names are of a specific type are named [VALUETYPE]s_[KEYTYPE]. For instance, a struct with labels used for methods is named as follows: labels_method.(’auc’) = ’Area under the curve’; Note: * • The first element is the name of the content type. * • The plural is used only for the content type. #### 8.2.5 IDs Variables named method, decomposition, etc. are always strings. If a method, decomposition or any other type is represented as an integer (e.g., as an index into an array), then _id is appended to the variable name. For instance: decomposition = ’sym’; decomposition_id = 2; This means that an array of values by ID of keys is called for instance: labels_decomposition_id{1} = ’Eigenvalue decomposition’; labels_decomposition_id{2} = ’Singular value decomposition’; ## 9 File Formats Due to the ubiquity of networks in many areas, there are a large number of file formats for storing graphs and graph-like structures. Some of these are well-suited for accessibility from many different programming languages (mostly line-oriented text formats), some are well-suited for integration with other formats (semantic formats such as RDF and XML-based ones), while other formats are optimized for efficient access (binary formats). In KONECT, we thus use three file formats covering the three cases: * • Text format: This format is text-based and uses tab-separated values. This is the main KONECT data format from which the two others are derived. The format has the advantage that it can be read easily from many different programming languages and environment. * • RDF format: Datasets are also available as RDF. This is intended for easy integration with other datasets. * • Matlab format: To compute statistics and plots and perform experiments, we use Matlab’s own binary format, which can be accessed efficiently from within Matlab. In the following, we describe KONECT’s text format. Each network $NETWORK is represented by the following files: * • out.$NETWORK: The edges stored as tab separated values (TSV). The file is a text file, and each line contains information about one edge. Each line contains two, three or four numbers represented textually, and separated by any sequence of whitespace (most KONECT code uses a single tab character when generating such files). The first two columns are mandatory and contain the source and destination node ID of the edge. The third column is optional and contains the edge weight. When the network is dynamic, the third column contains $+1$ for added edges and $-1$ for removed edges. For unweighted, non- temporal networks, multiple edges may be aggregated into a single line containing, in the third column, the number of aggregated edges. The fourth column is optional and contains the edge creation time, and is stored as UNIX time, i.e., the number of seconds since 1 January 1970. The fourth column is usually an integer, but may contain floating point numbers. If the fourth column is present, the third column must also be given. The beginning of the file contains additional comment lines with the following information: % FORMAT WEIGHTS % RELATIONSHIP-COUNT SUBJECT-COUNT OBJECT-COUNT where FORMAT is the internal name for the format as given in Table 1, WEIGHTS is the internal name for the weight types as given in Table 2, RELATIONSHIP- COUNT is the number of data lines in the file, and SUBJECT-COUNT and OBJECT- COUNT both equal the number of nodes $n$ in unipartite networks, and the number of left and right nodes $n_{1}$ and $n_{2}$ in bipartite networks. The first line is mandatory; the second line is optional. * • meta.$NETWORK: This file contains metadata about the network that is independent of the mathematical structure of the network. The file is a text file coded in UTF-8. Each line contains one key/value pair, written as the key, a colon and the value. The following metadata are used: * – name: The name of the dataset (usually only the name of the source, without description the type or category, e.g., “YouTube”, “Wikipedia elections”). The name uses sentence case. For networks with the same name the source (e.g., the conference) is added in parentheses. Within each category, all names must be distinct. * – code: The short code used in plots and narrow tables. The code consists of two or three characters. The first two characters are usually uppercase letters and denote the data source. The last character, if present, usually distinguishes the different networks from one source. * – url: (optional) The URL(s) of the data sources, as a comma separated list. Most datasets have a single URL. * – category: The name of the category, as given in the column “Category” in Table 3. * – description: (deprecated) A short description of the form “User–movie ratings”. Note that the file should contain an actual en dash, coded in UTF-8. * – cite: (optional) The bibtex code(s) for this dataset, as a comma separated list. Most dataset have a single bibtex entry. * – fullname: (optional) A longer name to disambiguate different datasets from the same source, e.g., “Youtube ratings” and “Youtube friendships”. Uses sentence case. All networks must have different fullnames. * – long-description: (optional) A long descriptive text consisting of full sentences, and describing the dataset in a verbose way. HTML markup may be used sparingly. * – entity-names: A comma-seperated list of entity names (e.g., “user, movie”). Unipartite networks give a single name; bipartite networks give two. * – relationship-names: The name of the relationship represented by edges, as a substantive (e.g., “friendship”). * – extr: (optional) The name of the subdirectory that contains the extraction code for this dataset. * – timeiso: (optional) A single ISO timestamp denoting the date of the dataset or two timestamps separated by a slash(/) for a time range. The format is: YYYY[-MM[-DD]][/YYYY[-MM[-DD]]], e.g., “2005-10-08/2006-11-03” or “2007”. * – tags: (optional) A space-separated list of hashtags describing the network. The following tags are used: * * #acyclic: The network is acyclic. Can only be set for directed networks. If this is not set, a directed network must contain at least two pairs of reciprocal edges of the form $(u,v)$ and $(v,u)$. * * #incomplete: The network is incomplete, i.e., not all edges or nodes are included. This implies that for instance its degree distribution is not meaningful. * * #join: The network is actually the join of more fundamental networks. For instance, a co-authorship network is a join of the authorship network with itself. Networks that have this tag may have skewed properties, such as skewed degree distributions. * * #kcore: The network contains only nodes with a certain minimal degree $k$. In other words, the nodes with degree less than a certain number $k$ were removed from the dataset. This changes a network drastically, and is called the “$k$-core” of a network. The is sometimes done to get a less sparse network applications that do not perform well on sparse networks. This tag implies the #incomplete tag. * * #missingorientation: This tag is used for undirected networks which are based on an underlying directed network. For instance, in a citation network, we may only know that the documents A and B are linked, but not which one cites the other. In such a case, the network in KONECT is undirected, although the underlying network is actually directed. * * #lcc: The dataset actually contains only the largest connected component of the actual network. Implies #incomplete. This tag is not used when the network is connected for other reasons. * * #loop: The network may contain loops, i.e., egdes connecting a vertex to itself. This tag is only allowed for unipartite networks. When this tag is not present, loops are not allowed, and the presence of loops will be considered an error by analysis code. * * #nonreciprocal: For directed networks only. The network does not contain reciprocal edges. * * #regenerate: The network can be regenerated periodically and may be updated when a more recent dataset becomes available. * * #zeroweight: Must be set if it is allowed for edge weights to be zero. Only used for networks with positive edge weights and signed networks. * – n3-*: (optional) Metadata which is used for the generation of RDF files. The symbol {n} in the name of the meta key represents an order by unique, sequential numbers starting at 1. * * n3-add-prefix{n} (optional): Used to define additional N3 prefixes. The default prefixes are specified in this way. * * n3-comment-{n} (optional): Add commentary lines which are placed at the beginning of the N3 file. * * n3-edgedata-{n} (optional): Additional N3-data, to be displayed with each edge. * * n3-nodedata-m-{n} (optional): Additional N3-data, to be displayed with the first occurence of the source ID. * * n3-nodedata-n-{n} (optional): Additional N3-data, to be displayed with the first occurence of the target ID. * * n3-prefix-m: N3-prefix for the source IDs. * * n3-prefix-n (optional): N3-prefix for the target IDs. If this field is left out, the value of {n3-prefix-m} is used. * * n3-prefix-j (optional): Additional prefix which can be used with the source id, if there is an entity to be represented with the same id. * * n3-prefix-k (optional): Additional prefix which can be used with the target id, if there is an entity to be represented with the same id. This is used for example in meta.facebook-wosn-wall for the representation of users walls. * * n3-prefix-l (optional): N3-prefix for the edges, if they are to be represented by some N3-entity. * * n3-type-l (optional): RDF-type for the edges. * * n3-type-m: RDF-type for source IDs. * * n3-type-n (optional): RDF-type for target IDs. The following symbols are used in the n3-expressions for edgedata and nodedata: * $m : n3-prefix-m + source ID * $n : n3-prefix-n (or n3-prefix-m if the other is undefined) + target ID * $j : source ID * $k : target ID * $l : edge ID * $timestamp : edge timestamp ## Acknowledgments The Koblenz Network Collection would not have been possible without the effort of many people who have published network datasets. KONECT is maintained by Jérôme Kunegis, Daniel Dünker and Holger Heinz. KONECT was also support by funding from multiple research projects. The research leading to these results has received funding from the European Community’s Seventh Frame Programme under grant agreement no 257859, ROBUST and 287975, SocialSensor. ## References * [BA99] Albert-László Barabási and Réka Albert. Emergence of scaling in random networks. Science, 286(5439):509–512, 1999. * [BKM08] Shweta Bansal, Shashank Khandelwal, and Lauren Ancel Meyers. Evolving clustered random networks. CoRR, abs/0808.0509, 2008. * [Bol98] Béla Bollobás. Modern Graph Theory. Springer, 1998. * [BP07] Lukáš Brožovský and Václav Petříček. Recommender system for online dating service. In Proc. Conf. Znalosti, pages 29–40, 2007. * [Chu97] Fan Chung. Spectral Graph Theory. American Math. Soc., 1997. * [ER59] Paul Erdős and Alfréd Rényi. On random graphs I. Publ. Math. Debrecen, 6:290–297, 1959. * [Fie73] Miroslav Fiedler. Algebraic connectivity of graphs. Czechoslovak Math. J., 23(98):298–305, 1973. * [GO12] David Gleich and Art Owen. Moment-based estimation of stochastic Kronecker graph parameters. Internet Math., 8(3):232–256, 2012. * [GR01] Chris D. Godsil and Gordon Royle. Algebraic Graph Theory. Springer, 2001. * [HLEK03] Petter Holme, Fredrik Liljeros, Christofer R. Edling, and Beom Jun Kim. Network bipartivity. Phys. Rev. E, 68(5):056107, 2003. * [KGG12] Jérôme Kunegis, Gerd Gröner, and Thomas Gottron. Online dating recommender systems: The split-complex number approach. In Proc. Workshop on Recommender Systems and the Social Web, pages 37–44, 2012. * [KL09] Jérôme Kunegis and Andreas Lommatzsch. Learning spectral graph transformations for link prediction. In Proc. Int. Conf. on Machine Learning, pages 561–568, 2009. * [KLB09] Jérôme Kunegis, Andreas Lommatzsch, and Christian Bauckhage. The Slashdot Zoo: Mining a social network with negative edges. In Proc. Int. World Wide Web Conf., pages 741–750, 2009. * [KLPM10] Haewoon Kwak, Changhyun Lee, Hosung Park, and Sue Moon. What is Twitter, a social network or a news media? In Proc. Int. World Wide Web Conf., pages 591–600, 2010. * [KP12] Jérôme Kunegis and Julia Preusse. Fairness on the web: Alternatives to the power law. In Proc. Web Science Conf., pages 175–184, 2012. * [KSLL10] Jérôme Kunegis, Stephan Schmidt, Andreas Lommatzsch, and Jürgen Lerner. Spectral analysis of signed graphs for clustering, prediction and visualization. In Proc. SIAM Int. 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Nature, 393(1):440–442, 1998. ## Appendix A Glossary of Terms The area of graph theory and network analysis is still recent enough that there is no unified glossary across the literature. The choices made in this work are those of the authors, and were chosen to reflect best practices and to avoid confusion. Arc A directed edge. In general, we consider arcs to be a special cases of edges, and thus we rarely use the term _arc_ in favor of _directed edge_. Category Networks have a category, which describes the domain they apply to: social networks, transport networks, citation networks, etc. Central matrix The matrix $\mathbf{X}$ in the decomposition $\mathbf{U}\mathbf{X}\mathbf{V}^{\mathrm{T}}$, not necessarily diagonal or symmetric; a generalization of the diagonal eigenvalue matrix Class The networks of KONECT are divided into classes by their volume: Class 1 contains the ten smallest networks, Class 2 contains the next ten smallest networks, etc. Claw Three edges sharing a single vertex. A claw can be understood as a 3-star. Code The two- or three-character code representation of a network. These are used in scatter plots that show many networks. Cross Four edges sharing a single endpoint. Also called a 4-star. Curve A curve fitting method used for link prediction, when using the link prediction method described in [KL09] (learning spectral transformations). Cycle A cyclic sequence of connected edges, not containing any edge twice. A cycle contrasts with a tour, in which a single vertex can appear multiple times. Decomposition In KONECT the word _decomposition_ is used to denote the combination of a characteristic graph matrix (e.g. the adjacency matrix or Laplacian) with a matrix decomposition. As an extension, some other constructions are also called _decomposition_ , such as LDA. Density This word is avoided in KONECT. In the literature, it may refer to either the fill (probability that a node exists), or to the average degree. The former definition is used in mathematical contexts, while the latter is used in computer science contexts. Edge A connection between two nodes. Feature A node feature. I.e., a number assigned to each node. Examples are the degree, PageRank and the eccentricity. Equivalently, a node vector. Fill The probability that two randomly chosen nodes are connected. Also called the _density_ , in particular in a mathematical context. Format The format of a network determines its general structure, and whether edges are directed. There are three possible formats: unipartite and undirected; unipartite and directed; and bipartite. Directed bipartite networks are not possible. Possible future extensions would include hypergraphs (e.g., tripartite networks). Half-adjacency matrix The adjacency matrix $\mathbf{A}$ of an undirected graph contains two nonzero entries for each edge $\\{i,j\\}$: $\mathbf{A}_{ij}$ and $\mathbf{A}_{ji}$. To avoid this, KONECT code uses the half-adjacency matrix, which contains only one of the two nonzero entries. The half-adjacency matrix is therefore not unique. In code, the half-adjacency matrix is denoted A. Measure A measure of the accuracy of link prediction methods, for instance the area under the curve or the mean average precision. Method A link prediction method. Path A sequence of connected nodes, in which each node can appear only once. The extension that allows multiple nodes is called a walk. Score A numerical value given to a node pair. Usually used for link prediction, but can also measure distance or similary between nodes. Size The number of nodes in a network. Statistic A statistic is a numerical measure of a network, i.e., a number that describes a network, such as the clustering coefficient, the diameter or the algebraic connectivity. All statistics are real numbers. Tour A cyclic sequence of connected nodes which may contain a single vertex multiple times. It can be considered a walk that returns to it starting point, or a generalization of a cycle that allows to visit nodes multiple times. Transform A transform is an operation that applies to a graph and that gives another graph. Examples are taking the largest connected component, removing multiple edges, and making a bipartite graph unipartite. Certain graph properties can be expressed at other graph properties applied to graph transforms. For instance, the size of the largest connected component is the size of the transform which keeps only the largest connected component. Triangle Three nodes all connected with each other. The number of triangles in a network is a very commonly used statistic, used for instance as the basis to compute the clustering coefficient. Counting the triangles in a network is a very common computational problem. Volume The number of edges in a network. Walk A sequence of connected nodes, which may contain a single node multiple times. The restriction to include a single node only once is called a path. If the endpoints of a walk are identical, then the walk is also a tour. Wedge Two edges sharing a common node, i.e., two adjacent edges. The number of wedges in a network is an important network statistic, which characterizes that skewness of the degree distribution, and which can be easily calculated. A wedge can be seen as a 2-star or a 2-path. Weights (always in the plural) The weights of a network describe the range of edge weights it allows. The list of possible edge weights is given in Table 2. ## Appendix B Glossary of Mathematical Symbols The following symbols are used in mathematical expessions throughout KONECT. Due to the large number of different measures used in graph theory and network analysis, many common symbols for measures overlap. For many measures, there is more than one commonly-used notation; the following tables shows a reasonable balance between using established notation when it exists, and having distinct symbols for different measures. $a$ | algebraic connectivity ---|--- $b$ | non-bipartivity $c$ | global clustering coefficient $c(u)$ | local clustering coefficient $d$ | average degree $d(u)$ | degree of a vertex $d(u,v)$ | shortest-path distance $e$ | edge $g$ | line count, data volume $l$ | loop count $m$ | volume, edge count $n$ | size, node count $p$ | fill $q$ | square count $r$ | rank of a decomposition $r$ | rating value $r$ | radius of a graph $s$ | wedge count $t$ | triangle count $u,v,w$ | vertices $w$ | edge weight $w$ | network weight $w(\ldots)$ | weight function $x$ | cross count $y$ | reciprocity $z$ | claw count $\gamma$ | power law exponent ---|--- $\delta$ | diameter $\epsilon$ | eccentricity $\zeta$ | negativity $\lambda$ | eigenvalue $\mu$ | average edge weight $\rho$ | assortativity $\rho$ | spectral radius $\xi$ | algebraic conflict $\sigma$ | singular value $C_{k}$ | $k$-cycle count ---|--- $E$ | edge set $F$ | frustration $G$ | graph $G$ | Gini coefficient $H$ | entropy $N$ | size of largest connected component $S_{k}$ | $k$-star count $T_{k}$ | $k$-tour count $V$ | vertex set $\mathbf{A}$ | adjacency matrix ---|--- $\mathbf{B}$ | biadjacency matrix $\mathbf{D}$ | degree matrix $\mathbf{K}$ | signless Laplacian matrix $\mathbf{L}$ | Laplacian matrix $\mathbf{M}$ | normalized biadjacency matrix $\mathbf{N}$ | normalized adjacency matrix $\mathbf{P}$ | stochastic adjacency matrix $\mathbf{S}$ | stochastic Laplacian matrix $\mathbf{U},\mathbf{V}$ | eigenvector matrices $\mathbf{Z}$ | normalized Laplacian matrix $\mathbf{\Lambda}$ | eigenvalue matrix ---|--- $\mathbf{\Sigma}$ | singular value matrix $\bar{G}$ | unweighted graph ---|--- $\bar{\bar{G}}$ | graph with unique edges $|G|$ | unsigned graph
arxiv-papers
2014-02-22T11:31:04
2024-09-04T02:49:58.619907
{ "license": "Creative Commons - Attribution Share-Alike - https://creativecommons.org/licenses/by-sa/4.0/", "authors": "J\\'er\\^ome Kunegis", "submitter": "J\\'er\\^ome Kunegis", "url": "https://arxiv.org/abs/1402.5500" }
1402.5533
††footnotetext: 2010 Mathematics Subject Classification: Primary 32H30, 32A22; Secondary 30D35. Key words and phrases: second main theorem, uniqueness problem, meromorphic mapping, truncated multiplicity. # Degeneracy and finiteness theorems for meromorphic mappings in several complex variables Si Duc Quang Department of Mathematics, Hanoi National University of Education 136-Xuan Thuy, Cau Giay, Hanoi, Vienam. [email protected] ###### Abstract. In this article, we prove that there are at most two meromorphic mappings of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})\ (n\geqslant 2)$ sharing $2n+2$ hyperplanes in general position regardless of multiplicity, where all zeros with multiplicities more than certain values do not need to be counted. We also show that if three meromorphic mappings $f^{1},f^{2},f^{3}$ of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})\ (n\geqslant 5)$ share $2n+1$ hyperplanes in general position with truncated multiplicity then the map $f^{1}\times f^{2}\times f^{3}$ is linearly degenerate. ## 1\. Introduction In $1926$, R. Nevanlinna [3] showed that two distinct nonconstant meromorphic functions $f$ and $g$ on the complex plane ${\mathbf{C}}$ cannot have the same inverse images for five distinct values, and that $g$ is a special type of linear fractional transformation of $f$ if they have the same inverse images counted with multiplicities for four distinct values [3]. These results are usually called the five values and the values theorems of R. Nevanlinna. After that, many authors extended and improved the results of Nevanlinna to the case of meromorphic mappings into complex projective sapces. The extensions of the five values theorem are usually called the uniqueness theorems, and the extensions of the four values theorem are usually called the finiteness theorems. Here we formulate some recent results on this problem. To state some of them, first of all we recall the following. Let $f$ be a nonconstant meromorphic mapping of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})$ and $H$ a hyperplane in ${\mathbf{P}}^{n}({\mathbf{C}}).$ Let $k$ be a positive integer or $k=\infty$. Denote by $\nu_{(f,H)}$ the map of ${\mathbf{C}}^{m}$ into $\mathbf{Z}$ whose value $\nu_{(f,H)}(a)\ (a\in{\mathbf{C}}^{m})$ is the intersection multiplicity of the images of $f$ and $H$ at $f(a).$ For every $z\in{\mathbf{C}}^{m}$, we set $\displaystyle\nu_{(f,H),\leqslant k}(z)=\begin{cases}0&\text{ if }\nu_{(f,H)}(z)>k,\\\ \nu_{(f,H)}(z)&\text{ if }\nu_{(f,H)}(z)\leqslant k,\end{cases}$ and $\displaystyle\nu_{(f,H),\geqslant k}(z)=\begin{cases}0&\text{ if }\nu_{(f,H)}(z)<k,\\\ \nu_{(f,H)}(z)&\text{ if }\nu_{(f,H)}(z)\geqslant k,\end{cases}$ Take a meromorphic mapping $f$ of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})$ which is linearly nondegenerate over ${\mathbf{C}}$, a positive integer $d$ and $q$ hyperplanes $H_{1},\ldots,H_{q}$ of ${\mathbf{P}}^{n}({\mathbf{C}})$ in general position with $\dim f^{-1}(H_{i}\cap H_{j})\leqslant m-2\quad(1\leqslant i<j\leqslant q)$ and consider the set $\mathcal{F}(f,\\{H_{i}\\}_{i=1}^{q},d)$ of all linearly nondegenerate over ${\mathbf{C}}$ meromorphic maps $g:{\mathbf{C}}^{m}\to{\mathbf{P}}^{n}({\mathbf{C}})$ satisfying the following two conditions: (a) $\min\ (\nu_{(f,H_{j})},d)=\min\ (\nu_{(g,H_{j})},d)\quad(1\leqslant j\leqslant q),$ (b) $f(z)=g(z)$ on $\bigcup_{j=1}^{q}f^{-1}(H_{j})$. We see that conditions a) and b) mean the sets of all intersecting points (counted with multiplicity to level $d$) of $f$ and $g$ with each hyperplane are the same, and two mappings $f$ and $g$ agree on these sets. If $d=1$, we will say that $f$ and $g$ share $q$ hyperplanes $\\{H_{j}\\}_{j=1}^{q}$ regardless of multiplicity. Denote by $\sharp\ S$ the cardinality of the set $S.$ In 1983, L. Smiley [7] proved the following uniqueness theorem. Theorem A. If $q=3n+2$ then $\sharp\ \mathcal{F}(f,\\{H_{i}\\}_{i=1}^{q},1)=1.$ In 1998, H. Fujimoto [2] proved a finiteness theorem for meromorphic mappings as follows. Theorem B. If $q=3n+1$ then $\sharp\ \mathcal{F}(f,\\{H_{i}\\}_{i=1}^{q},2)\leqslant 2.$ In 2009, Z. Chen-Q. Yan [1] considered the case of $2n+3$ hyperplanes and proved the following uniqueness theorem. Theorem C. If $q=2n+3$ then $\sharp\ \mathcal{F}(f,\\{H_{i}\\}_{i=1}^{q},1)=1.$ After that, in 2011 S. D. Quang [5] improved the result of Z. Chen-Q. Yan by omitting all zeros with multiplicity more than a certain number in the conditions on sharing hyperplanes of meromorphic mappings. As far as we known, there is still no uniqueness theorem for meromorphic mappings sharing less than $2n+3$ hyperplanes regardless of multiplicities. In 2011 Q. Yan-Z. Chen [8] also proved a degeneracy theorem as follows. Theorem D. If $q=2n+2$ then the map $f^{1}\times f^{2}\times f^{3}$ of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{N}({\mathbf{C}})\times{\mathbf{P}}^{N}({\mathbf{C}})\times{\mathbf{P}}^{N}({\mathbf{C}})$ is linearly degenerate for every three maps $f^{1},f^{2},f^{3}\in\mathcal{F}(f,\\{H_{i}\\}_{i=1}^{q},2)$. The first finiteness theorem for the case of meromorphic mappings sharing $2n+2$ hyperplanes regardless of multiplicities are given by S. D. Quang [6] in 2012 as follows. Theorem E. If $n\geqslant 2$ and $q=2n+2$ then $\sharp\ \mathcal{F}(f,\\{H_{i}\\}_{i=1}^{q},1)\leqslant 2.$ However we note that there is a gap in the proof of [6, Theorem 1.1]. For detail, the inequality (3.26) in [6, Lemma 3.20] does not holds. Hence the inequality of [6, Lemma 3.20(ii)] may not hold. In order to fix this gap, we need to slightly change the estimate of this inequality by adding $N^{(1)}_{(f,H_{j})}(r)$ to its right-hand side. The rest of the proof is still valid for the case where $N\geqslant 3$. In this paper, we will show a correction for [6, Lemma 3.20] (see Lemma 3.9 below). Also this theorem (including the case where $N=2$) will be corrected and improved (see Theorem 1.1 below) by another approach. We would also like to emphasize that in the above results, all intersecting points of the mappings and the hyperplanes are considered. It seems to us that the technique used in the proof of the above results do not work for the case where all such points with multiplicities more than a certain number are not taken to count. Our first purpose in this paper is to improve the above result by omitting all such intersecting points. In order to states the main results, we give the following definition. Let $f$ be a linearly nondegenerate meromorphic mapping of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})$ and let $H_{1},\ldots,H_{q}$ be $q$ hyperplanes of ${\mathbf{P}}^{n}({\mathbf{C}})$ in general position. Let $k_{1},\ldots,k_{q}$ be $q$ positive integers or $+\infty$. Assume that $\dim\\{z;\nu_{(f,H_{i}),\leqslant k_{i}}(z)\cdot\nu_{(f,H_{j}),\leqslant k_{j}}(z)>0\\}\leqslant m-2\quad(1\leqslant i<j\leqslant q).$ Let $d$ be an integer. We consider the set $\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{q},d)$ of all meromorphic maps $g:{\mathbf{C}}^{m}\to{\mathbf{P}}^{n}({\mathbf{C}})$ satisfying the conditions: * (a) $\min\ (\nu_{(f,H_{i}),\leqslant k_{i}},d)=\min\ (\nu_{(g,H_{i}),\leqslant k_{i}},d)\quad(1\leqslant j\leqslant q),$ * (b) $f(z)=g(z)$ on $\bigcup_{i=1}^{q}\\{z;\nu_{(f,H_{i}),\leqslant k_{i}}(z)>0\\}$. Then we see that $\mathcal{F}(f,\\{H_{i}\\}_{i=1}^{q},d)=\mathcal{F}(f,\\{H_{i},\infty\\}_{i=1}^{q},d)$ ###### Theorem 1.1. Let $f$ be a linearly nondegenerate meromorphic mapping of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})$ $(n\geqslant 2)$. Let $H_{1},\ldots,H_{2n+2}$ be $2n+2$ hyperplanes of ${\mathbf{P}}^{n}({\mathbf{C}})$ in general position and let $k_{1},\ldots,k_{n+2}$ be positive integers or $+\infty$. Assume that $\dim\\{z;\nu_{(f,H_{i}),\leqslant k_{i}}(z)\cdot\nu_{(f,H_{j}),\leqslant k_{j}}(z)>0\\}\leqslant m-2\quad(1\leqslant i<j\leqslant 2n+2),$ $\text{ and }\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}<\min\left\\{\dfrac{n+1}{3n^{2}+n},\dfrac{5n-9}{24n+12},\dfrac{n^{2}-1}{10n^{2}+8n}\right\\}.$ Then $\sharp\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{2n+2},1)\leqslant 2.$ Then we see that in the case $n\geqslant 2$, Theorems D and E are corollaries of Theorem 1.1 when $k_{1}=\cdots=k_{2n+2}=+\infty$. The last purpose of this paper is to prove a degeneracy theorem for three mappings sharing $2n+1$ hyperplanes. Namely, we will proved the following. ###### Theorem 1.2. Let $f$ be a linearly nondegenerate meromorphic mapping of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})\ (n\geqslant 5)$. Let $H_{1},\ldots,H_{2n+1}$ be $2n+1$ hyperplanes of ${\mathbf{P}}^{n}({\mathbf{C}})$ in general position and let $k_{1},\ldots,k_{2n+1}$ be positive integers or $+\infty$ such that $\dim\\{z;\nu_{(f,H_{i}),\leqslant k_{i}}(z)\cdot\nu_{(f,H_{j}),\leqslant k_{j}}(z)>0\\}\leqslant m-2\quad(1\leqslant i<j\leqslant 2n+2).$ If there exists a positive integer $p$ with $p\leqslant n$ and $\sum_{i=1}^{2n+1}\dfrac{1}{k_{i}+1}<\dfrac{np-3n-p}{4n^{2}+3np-n}.$ then the map $f^{1}\times f^{2}\times f^{3}$ of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})\times{\mathbf{P}}^{n}({\mathbf{C}})\times{\mathbf{P}}^{n}({\mathbf{C}})$ is linearly degenerate for every three maps $f^{1},f^{2},f^{3}\in\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{2n+1},p)$ ## 2\. Basic notions in Nevanlinna theory ### 2.1. Counting functions of divisors. We set $||z||=\big{(}|z_{1}|^{2}+\dots+|z_{m}|^{2}\big{)}^{1/2}$ for $z=(z_{1},\dots,z_{n})\in{\mathbf{C}}^{m}$ and define $B(r):=\\{z\in{\mathbf{C}}^{m}:||z||<r\\},\quad S(r):=\\{z\in{\mathbf{C}}^{m}:||z||=r\\}\ (0<r<\infty).$ Define $v_{m-1}(z):=\big{(}dd^{c}||z||^{2}\big{)}^{m-1}\quad\quad\text{and}$ $\sigma_{m}(z):=d^{c}\text{log}||z||^{2}\land\big{(}dd^{c}\text{log}||z||^{2}\big{)}^{m-1}\text{on}\quad{\mathbf{C}}^{m}\setminus\\{0\\}.$ We mean by a divisor divisor $\nu$ on a domain $\Omega$ in ${\mathbf{C}}^{m}$ a formal sum $\nu=\sum_{\lambda\in\Lambda}a_{\lambda}Z_{\lambda},$ where $a_{\lambda}\in\mathbf{Z}$ and $\\{Z_{\lambda}\\}_{\lambda\in\Lambda}$ is a locally finite family of distinct irreducible hypersurfaces of $\Omega$. Then, we may consider the divisor $\nu$ as a function on $\Omega$ with values in $\mathbf{Z}$ as follows $\nu(z)=\sum_{Z_{\lambda}\ni z}a_{\lambda}.$ The support of $\nu$ is defined by $\mathrm{Supp}\,\nu=\bigcup_{a_{\lambda}\neq 0}Z_{\lambda}$. For a nonzero meromorphic function $\varphi$ on a domain $\Omega$ in ${\mathbf{C}}^{m}$, we denote by $\nu^{0}_{\varphi}$ (resp. $\nu^{\infty}_{\varphi}$) the divisor of zeros (resp. divisor of poles) of $\varphi$, and denote by $\nu_{\varphi}=\nu^{0}_{\varphi}-\nu^{\infty}_{\varphi}$ the divisor generated by $\varphi$. For a divisor $\nu$ on ${\mathbf{C}}^{m}$ and for positive integers $k,M$ (or $M=\infty$), we define the counting functions of $\nu$ as follows. Set $\nu^{(M)}(z)=\min\ \\{M,\nu(z)\\},$ $\displaystyle\nu_{\leqslant k}^{(M)}(z)=\begin{cases}0&\text{ if }\nu(z)>k,\\\ \nu^{(M)}(z)&\text{ if }\nu(z)\leqslant k,\end{cases}$ $\displaystyle\nu_{>k}^{(M)}(z)=\begin{cases}\nu^{(M)}(z)&\text{ if }\nu(z)>k,\\\ 0&\text{ if }\nu(z)\leqslant k.\end{cases}$ We define $n(t)$ by $\displaystyle n(t)=\begin{cases}\int\limits_{|\nu|\,\cap B(t)}\nu(z)v_{n-1}&\text{ if }n\geqslant 2,\\\ \sum\limits_{|z|\leqslant t}\nu(z)&\text{ if }n=1.\end{cases}$ Similarly, we define $n^{(M)}(t),\ n_{\leqslant k}^{(M)}(t),\ n_{>k}^{(M)}(t).$ Define $N(r,\nu)=\int\limits_{1}^{r}\dfrac{n(t)}{t^{2n-1}}dt\quad(1<r<\infty).$ Similarly, we define $N(r,\nu^{(M)}),\ N(r,\nu_{\leqslant k}^{(M)}),\ N(r,\nu_{>k}^{(M)})$ and denote them by $N^{(M)}(r,\nu)$, $N_{\leqslant k}^{(M)}(r,\nu)$, $N_{>k}^{(M)}(r,\nu)$ respectively. Let $\varphi:{\mathbf{C}}^{m}\longrightarrow{\mathbf{C}}$ be a meromorphic function. Define $N_{\varphi}(r)=N(r,\nu^{0}_{\varphi}),\ N_{\varphi}^{(M)}(r)=N^{(M)}(r,\nu^{0}_{\varphi}),$ $N_{\varphi,\leqslant k}^{(M)}(r)=N_{\leqslant k}^{(M)}(r,\nu^{0}_{\varphi}),\ N_{\varphi,>k}^{(M)}(r)=N_{>k}^{(M)}(r,\nu^{0}_{\varphi}).$ For brevity we will omit the superscript (M) if $M=\infty$. For a set $S\subset{\mathbf{C}}^{m}$, we define the characteristic function of $S$ by $\chi_{S}(z)=\begin{cases}1&\text{ if }z\in S,\\\ 0&\text{ if }z\not\in S.\end{cases}$ If the closure $\bar{S}$ of $S$ is an analytic subset of ${\mathbf{C}}^{m}$ then we denote by $N(r,S)$ the counting function of the reduced divisor whose support is the union of all irreducible components of $\bar{S}$ with codimension one. ### 2.2. Characteristic and Proximity functions. Let $f:{\mathbf{C}}^{m}\longrightarrow{\mathbf{P}}^{n}({\mathbf{C}})$ be a meromorphic mapping. For arbitrarily fixed homogeneous coordinates $(w_{0}:\dots:w_{n})$ on ${\mathbf{P}}^{n}({\mathbf{C}})$, we take a reduced representation $f=(f_{0}:\dots:f_{n})$, which means that each $f_{i}$ is a holomorphic function on ${\mathbf{C}}^{m}$ and $f(z)=\big{(}f_{0}(z):\cdots:f_{n}(z)\big{)}$ outside the analytic set $\\{f_{0}=\cdots=f_{n}=0\\}$ of codimension $\geqslant 2$. Set $\|f\|=\big{(}|f_{0}|^{2}+\dots+|f_{n}|^{2}\big{)}^{1/2}$. The characteristic function of $f$ is defined by $\displaystyle T_{f}(r)=\int\limits_{S(r)}\text{log}\|f\|\sigma_{m}-\int\limits_{S(1)}\text{log}\|f\|\sigma_{m}.$ Let $H$ be a hyperplane in ${\mathbf{P}}^{n}({\mathbf{C}})$ given by $H=\\{a_{0}\omega_{0}+\cdots+a_{n}\omega_{n}\\},$ where $(a_{0},\ldots,a_{n})\neq(0,\ldots,0)$. We set $(f,H)=\sum_{i=0}^{n}a_{i}f_{i}$. Then we see that the divisor $\nu_{(f,H)}$ does not depend on the reduced representation of $f$ and presentation of $H$. We define the proximity function of $H$ by $m_{f,H}(r)=\int_{S(r)}\log\dfrac{||f||\cdot||H||}{|(f,H)|}\sigma_{m}-\int_{S(1)}\log\dfrac{||f||\cdot||H||}{|(f,H)|}\sigma_{m},$ where $||H||=(\sum_{i=0}^{N}|a_{i}|^{2})^{\frac{1}{2}}.$ Let $\varphi$ be a nonzero meromorphic function on ${\mathbf{C}}^{m}$, which are occasionally regarded as a meromorphic mapping into ${\mathbf{P}}^{1}({\mathbf{C}})$. The proximity function of $\varphi$ is defined by $m(r,\varphi):=\int_{S(r)}\log\max\ (|\varphi|,1)\sigma_{n}.$ As usual, by the notation “$||\ P$” we mean the assertion $P$ holds for all $r\in[0,\infty)$ excluding a Borel subset $E$ of the interval $[0,\infty)$ with $\int_{E}dr<\infty$. ### 2.3. Some lemmas. The following results play essential roles in Nevanlinna theory (see [4]). ###### Theorem 2.1 (The first main theorem). Let $f:{\mathbf{C}}^{m}\to{\mathbf{P}}^{n}({\mathbf{C}})$ be a linearly nondegenerate meromorphic mapping and $H$ be a hyperplane in ${\mathbf{P}}^{n}({\mathbf{C}})$. Then $N_{(f,H)}(r)+m_{f,H}(r)=T_{f}(r)\ (r>1).$ ###### Theorem 2.2 (The second main theorem). Let $f:{\mathbf{C}}^{m}\to{\mathbf{P}}^{n}({\mathbf{C}})$ be a linearly nondegenerate meromorphic mapping and $H_{1},\ldots,H_{q}$ be hyperplanes in general position in ${\mathbf{P}}^{n}({\mathbf{C}}).$ Then $||\ \ (q-n-1)T_{f}(r)\leqslant\sum_{i=1}^{q}N_{(f,H_{i})}^{(n)}(r)+o(T_{f}(r)).$ For meromorphic functions $F,G,H$ on ${\mathbf{C}}^{m}$ and $\alpha=(\alpha_{1},\ldots,\alpha_{m})\in\mathbf{Z}_{+}^{m}$, we put $\Phi^{\alpha}(F,G,H):=F\cdot G\cdot H\cdot\left|\begin{array}[]{cccc}1&1&1\\\ \frac{1}{F}&\frac{1}{G}&\frac{1}{H}\\\ \mathcal{D}^{\alpha}(\frac{1}{F})&\mathcal{D}^{\alpha}(\frac{1}{G})&\mathcal{D}^{\alpha}(\frac{1}{H})\\\ \end{array}\right|$ ###### Lemma 2.3 ([2, Proposition 3.4]). If $\Phi^{\alpha}(F,G,H)=0$ and $\Phi^{\alpha}(\frac{1}{F},\frac{1}{G},\frac{1}{H})=0$ for all $\alpha$ with $|\alpha|\leq 1$, then one of the following assertions holds : (i) $F=G,G=H$ or $H=F$ (ii) $\frac{F}{G},\frac{G}{H}$ and $\frac{H}{F}$ are all constant. ###### Lemma 2.4. Let $f^{1},f^{2},f^{3}$ be three maps in $\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{q},p)$. Assume that $f^{i}$ has a representation $f^{i}=(f^{i}_{0}:\cdots:f^{i}_{n})$, $1\leqslant i\leqslant 3$. Suppose that there exist $s,t,l\in\\{1,\cdots,q\\}$ such that $P:=Det\left(\begin{array}[]{ccc}(f^{1},H_{s})&(f^{1},H_{t})&(f^{1},H_{l})\\\ (f^{2},H_{s})&(f^{2},H_{t})&(f^{2},H_{l})\\\ (f^{3},H_{s})&(f^{3},H_{t})&(f^{3},H_{l})\end{array}\right)\not\equiv 0.$ Then we have $\displaystyle T(r)\geqslant$ $\displaystyle\sum_{i=s,t,l}(N(r,\min\\{\nu_{(f^{u},H_{i}),\leqslant k_{i}};1\leqslant u\leqslant 3\\})$ $\displaystyle-N^{(1)}_{(f,H_{i}),\leq k_{i}}(r))+2\sum_{i=1}^{q}N^{(1)}_{(f,H_{i}),\leq k_{i}}(r)+o(T(r)),$ where $T(r)=\sum_{u=1}^{3}T_{f^{u}}(r)$. ###### Proof. Denote by $S$ the closure of $\bigcup_{1\leqslant u\leqslant 3}I(f^{u})\cup\bigcup_{1\leqslant i<j\leqslant 2n+2}\\{z;\nu_{(f,H_{i}),\leqslant k_{i}}(z)\cdot\nu_{(f,H_{j}),\leqslant k_{j}}(z)>0\\}$. Then $S$ is an analytic subset of codimension two of ${\mathbf{C}}^{m}$. For $z\not\in S$, we consider the following two cases: Case 1. $z$ is a zero of $(f,H_{i})$ with multiplicity at most $k_{i}$, where $i\in\\{s,t,l\\}$. For instance, we suppose that $i=s$. We set $m=\min\\{\nu_{(f^{1},H_{s}),\leqslant k_{s}}(z),\nu_{(f^{2},H_{s}),\leqslant k_{s}}(z),\nu_{(f^{3},H_{s}),\leqslant k_{s}}(z)\\}.$ Then there exist a neighborhood $U$ of $z$ and a holomorphic function $h$ defined on $U$ such that $\mathrm{Zero}(h)=U\cap\mathrm{Zero}(f,H_{s})$ and $dh$ has no zero. Then the functions $\varphi_{u}=\frac{(f^{u},H_{s})}{h^{m}}\ (1\leqslant u\leqslant 3)$ are holomorphic in a neighborhood of $z$. On the other hand, since $f^{1}=f^{2}=f^{3}$ on $\mathrm{Supp}\,\nu_{(f,H_{s}),\leqslant k_{s}}$, we have $P_{uv}:=(f^{u},H_{t})(f^{v},H_{l})-(f^{u},H_{l})(f^{v},H_{t})=0\text{ on }\mathrm{Supp}\,\nu_{(f,H_{s}),\leqslant k_{s}},\ 1\leqslant u<v\leqslant 3.$ Therefore, there exist holomorphic functions $\psi_{uv}$ on a neighborhood of $z$ such that $P_{uv}=h\psi_{uv}.$ Then we have $P=h^{m+1}(\varphi_{1}\psi_{23}-\varphi_{2}\psi_{13}+\varphi_{3}\psi_{12})$ on a neighborhood of $z$. This yeilds that $\nu_{P}(z)\geqslant m+1=\sum_{i=s,t,l}(\min\\{\nu_{(f^{u},H_{i}),\leqslant k_{i}}(z);1\leqslant u\leqslant 3\\}-\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z))+2\sum_{i=1}^{q}\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z).$ Case 2. $z$ is a zero point of $(f,H_{i})$ with multiplicity at most $k_{i}$, where $i\not\in\\{s,t,l\\}$. There exist an index $v$ such that $(f^{1},H_{v})(z)\neq 0$. Since $f^{1}(z)=f^{2}(z)=f^{3}(z),$ we have $(f^{u},H_{v})(z)\neq 0\ (1\leqslant u\leqslant 3)$ and $\displaystyle P$ $\displaystyle=\prod_{u=1}^{3}(f^{u},H_{v})\cdot\det\left(\begin{array}[]{ccc}\dfrac{(f^{1},H_{s})}{(f^{1},H_{v})}&\dfrac{(f^{1},H_{t})}{(f^{1},H_{v})}&\dfrac{(f^{1},H_{l})}{(f^{1},H_{v})}\\\ \dfrac{(f^{2},H_{1})}{(f^{2},H_{l})}&\dfrac{(f^{2},H_{t})}{(f^{2},H_{l})}&\dfrac{(f^{2},H_{s})}{(f^{2},H_{l})}\\\ \dfrac{(f^{3},H_{1})}{(f^{3},H_{l})}&\dfrac{(f^{3},H_{t})}{(f^{3},H_{l})}&\dfrac{(f^{3},H_{s})}{(f_{3},H_{l})}\end{array}\right)$ $\displaystyle=\prod_{u=1}^{3}(f^{u},H_{l})\cdot\det\left(\begin{array}[]{ccc}\dfrac{(f^{1},H_{1})}{(f^{1},H_{l})}&\dfrac{(f^{1},H_{t})}{(f^{1},H_{l})}&\dfrac{(f^{1},H_{s})}{(f^{1},H_{l})}\\\ \\\ \frac{(f^{2},H_{1})}{(f^{2},H_{l})}-\frac{(f^{1},H_{1})}{(f^{1},H_{l})}&\frac{(f^{2},H_{t})}{(f^{2},H_{l})}-\frac{(f^{1},H_{t})}{(f^{1},H_{l})}&\frac{(f^{2},H_{s})}{(f^{2},H_{l})}-\frac{(f^{1},H_{s})}{(f^{1},H_{l})}\\\ \\\ \frac{(f^{3},H_{1})}{(f^{3},H_{l})}-\frac{(f^{1},H_{1})}{(f^{1},H_{l})}&\frac{(f^{3},H_{t})}{(f^{3},H_{l})}-\frac{(f^{1},H_{t})}{(f^{1},H_{l})}&\frac{(f^{3},H_{s})}{(f^{3},H_{l})}-\frac{(f^{1},H_{s})}{(f^{1},H_{l})}\end{array}\right).$ vanishes at $z$ with multiplicity at least two. Therefore, we have $\nu_{P}(z)\geqslant 2=\sum_{i=s,t,l}(\min\\{\nu_{(f^{u},H_{i}),\leqslant k_{i}}(z);1\leqslant u\leqslant 3\\}-\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z))+2\sum_{i=1}^{q}\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z).$ Thus, from the above two cases we have $\displaystyle\nu_{P}(z)\geqslant\sum_{i=s,t,l}(\min\\{\nu_{(f^{u},H_{i}),\leqslant k_{i}}(z);1\leqslant u\leqslant 3\\}-\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z))+2\sum_{i=1}^{q}\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z),$ for all $z$ outside the analytic set $S$. Integrating both sides of the above inequality, we get $\displaystyle N_{P}(r)\geqslant$ $\displaystyle\sum_{i=s,t,l}(N(r,\min\\{\nu_{(f^{u},H_{i}),\leqslant k_{i}};1\leqslant u\leqslant 3\\})-N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r))$ $\displaystyle+2\sum_{i=1}^{q}N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)+o(T(r)).$ On the other hand, by Jensen’s formula and the definition of the characteristic function we have $\displaystyle N_{P}(r)=$ $\displaystyle\int_{S(r)}\log|P|\sigma_{m}+O(1)$ $\displaystyle\leqslant$ $\displaystyle\sum_{u=1}^{3}\int_{S(r)}\log(|(f^{u},H_{1})|^{2}+|(f^{u},H_{t})|^{2}+|(f^{u},H_{s})|)^{\frac{1}{2}}\sigma_{m}+O(1)$ $\displaystyle\leqslant$ $\displaystyle\sum_{u=1}^{3}\int_{S(r)}\log||f^{u}||\sigma_{m}+O(1)=T(r)+o(T(r)).$ Thus, we have $\displaystyle T(r)\geqslant$ $\displaystyle\sum_{i=s,t,l}(N(r,\min\\{\nu_{(f^{u},H_{i}),\leqslant k_{i}};1\leqslant u\leqslant 3\\})-N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r))$ $\displaystyle+2\sum_{i=1}^{q}N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)+o(T(r)).$ The lemma is proved. ∎ ## 3\. Proof of Main Theorems Let $f$ be a linearly nondegenerate meromorphic mapping of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{n}({\mathbf{C}})$. Let $H_{1},\ldots,H_{2n+2}$ be $2n+2$ hyperplanes of ${\mathbf{P}}^{n}({\mathbf{C}})$ in general position and let $k_{i}\geqslant n\ (1\leqslant i\leqslant 2n+2)$ be positive integers or $+\infty$ with $\dim\\{z;\nu_{(f,H_{i}),\leqslant k_{i}}(z)\cdot\nu_{(f,H_{j}),\leqslant k_{j}}(z)>0\\}\leqslant m-2\quad(1\leqslant i<j\leqslant 2n+2).$ In order to prove Theorem 3.2, we need the following lemmas. ###### Lemma 3.1. If $\sum_{i=1}^{2n+2}\frac{1}{k_{i}+1}<\frac{1}{n},$ then every mapping $g$ in $\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{2n+2},1)$ is linearly nondegenerate and $||\ T_{g}(r)=O(T_{f}(r))\mathrm{\ and\ }||\ T_{f}(r)=O(T_{g}(r)).$ ###### Proof. Suppose that there exists a hyperplane $H$ satisfying $g({\mathbf{C}}^{m})\subset H$. We assume that $f$ and $g$ have reduce representations $f=(f_{0}:\cdots:f_{n})$ and $g=(g_{0}:\cdots:g_{n})$ respectively. Assume that $H=\\{(\omega_{0}:\cdots:\omega_{n})\ |\ \sum_{i=0}^{n}a_{i}\omega_{i}=0\\}$. Since $f$ is linearly nondegenerate, $(f.H)\not\equiv 0$. On the other hand $(f,H)(z)=(g,H)(z)=0$ for all $z\in\bigcup_{i=1}^{2n+2}\\{\nu_{(f,H_{i}),\leqslant k_{i}}\\}$, hence $N_{(f,H)}(r)\geqslant\sum_{i=1}^{2n+2}N_{(f,H_{i}),\leqslant k_{i}}^{(1)}(r).$ It yields that $\displaystyle||\ T_{f}(r)$ $\displaystyle\geqslant N_{(f,H)}(r)\geqslant\sum_{i=1}^{2n+2}N_{(f,H_{i}),\leqslant k_{i}}^{(1)}(r)=\sum_{i=1}^{2n+2}\bigl{(}N_{(f,H_{i})}^{(1)}(r)-N_{(f,H_{i}),>k_{i}}^{(1)}(r)\bigl{)}$ $\displaystyle\geqslant\sum_{i=1}^{2n+2}\dfrac{1}{n}N_{(f,H_{i})}^{(n)}(r)-\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}T_{f}(r)\geqslant\big{(}\dfrac{n+1}{n}-\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}\big{)}T_{f}(r)+o(T_{f}(r)).$ Letting $r\longrightarrow+\infty$, we get $\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}\geqslant\dfrac{1}{n}.$ This is a contradiction. Hence $g({\mathbf{C}}^{m})$ can not be contained in any hyperplanes of ${\mathbf{P}}^{n}({\mathbf{C}})$. Therefore $g$ is linearly nondegenerate. Also by the Second Main Theorem, we have $\displaystyle||\quad(n+1)T_{g}(r)\leqslant$ $\displaystyle\sum_{i=1}^{2n+2}N_{(g,H_{i})}^{(n)}(r)+o(T_{g}(r))$ $\displaystyle\leqslant$ $\displaystyle\sum_{i=1}^{2n+2}n\ N_{(g,H_{i})}^{(1)}(r)+o(T_{g}(r))$ $\displaystyle=$ $\displaystyle\sum_{i=1}^{2n+2}n\bigl{(}N_{(g,H_{i}),\leqslant k_{i}}^{(1)}(r)+N_{(g,H_{i}),>k_{i}}^{(1)}(r)\bigl{)}+o(T_{g}(r))$ $\displaystyle\leqslant$ $\displaystyle\sum_{i=1}^{2n+2}n\bigl{(}N_{(f,H_{i}),\leqslant k_{i}}^{(1)}(r)+\dfrac{1}{k_{i}+1}T_{g}(r)\bigl{)}+o(T_{g}(r))$ $\displaystyle\leqslant$ $\displaystyle\sum_{i=1}^{2n+2}n\bigl{(}T_{f}(r)+\dfrac{1}{k_{i}+1}T_{g}(r)\bigl{)}+o(T_{f}(r)+T_{g}(r)).$ Thus $\bigl{(}n+1-\sum_{i=1}^{2n+2}\dfrac{n}{k_{i}+1}\bigl{)}T_{g}(r)\leqslant n(2n+2)T_{f}(r)+o(T_{f}(r)+T_{g}(r)).$ We note that $n+1-\sum_{i=1}^{2n+2}\dfrac{n}{k_{i}+1}>n>0.$ Hence $||T_{g}(r)=O(T_{f}(r)).$ Similarly, we get $||T_{f}(r)=O(T_{g}(r)).$ ∎ ###### Lemma 3.2. Assume that $n\geqslant 2$ and $\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}<\dfrac{n+1}{n(3n+1)}.$ Then for three maps $f^{1},f^{2},f^{3}\in\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{2n+2},1)$ we have $f^{1}\wedge f^{2}\wedge f^{3}=0.$ ###### Proof. By Lemma 3.1, we have that $f^{s}$ is linearly nondegenerate and $||T_{f^{s}}(r)=O(T_{f}(r))$ and $||T_{f}(r)=O(T_{f^{s}}(r))$ for all $s=1,2,3.$ Suppose that $f^{1}\wedge f^{2}\wedge f^{3}\not\equiv 0$. For each $1\leqslant i\leqslant 2n+2$, we set $N_{i}(r)=\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)-(2n+1)N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r).$ Here, we note that for positive integers $a,b,c$ we have $(\min\\{a,b,c\\}-1)\geqslant\min\\{a,n\\}+\min\\{a,n\\}+\min\\{a,n\\}-2n-1.$ Then $\min\\{\nu_{(f^{u},H_{i}),\leqslant k_{i}}(z);1\leqslant u\leqslant 3\\}-\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z)\geqslant\sum_{u=1}^{3}\nu^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(z)-(2n+1)\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z)$ for all $z\in\mathrm{Supp}\,\nu_{(f,H_{i}),\leqslant k_{i}}$. This yeilds that $\displaystyle N(r,\min\\{\nu_{(f^{u},H_{i}),\leqslant k_{i}}(z)$ $\displaystyle;1\leqslant u\leqslant 3\\})-N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)$ $\displaystyle\geqslant\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)-(2n+1)N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)=N_{i}(r).$ We denote by $\mathcal{I}$ the set of all permutations of the $(2n+2)-$tuple $(1,\ldots,2n+2)$, that means $\mathcal{I}=\\{I=(i_{1},\ldots,i_{2n+2})\ :\ \\{i_{1},\ldots,i_{2n+2}\\}=\\{1,\ldots,{2n+2}\\}\\}.$ For each $I=(i_{1},\ldots,i_{2n+2})\in\mathcal{I}$ we define a subset $E_{I}$ of $[1,+\infty)$ as follows $E_{I}=\\{r\geqslant 1\ :\ N_{i_{1}}(r)\geqslant\cdots\geqslant N_{i_{2n+2}}(r)\\}.$ It is clear that $\bigcup_{I\in\mathcal{I}}E_{I}=[1,+\infty).$ Therefore, there exists an element of $\mathcal{I},$ for instance it is $I_{0}=(1,2,\ldots,2n+2)$, satisfying $\int\limits_{E_{i_{0}}}dr=+\infty.$ Then, we have $N_{1}(r)\geqslant N_{2}(r)\geqslant\cdots\geqslant N_{2n+2}(r)$ for all $r\in E_{i_{0}}.$ We consider $\mathcal{M}^{3}$ as a vector space over the field $\mathcal{M}$. For each $i=1,\ldots,2n+2,$ we set $V_{i}=\left((f^{1},H_{i}),(f^{2},H_{i}),(f^{3},H_{i})\right)\in\mathcal{M}^{3}.$ We put $s=\min\\{i\ :\ V_{1}\wedge V_{i}\not\equiv 0\\}.$ Since $f^{1}\wedge f^{2}\wedge f^{3}\not\equiv 0$, we have $1<s<n+1.$ Also by again $f^{1}\wedge f^{2}\wedge f^{3}\not\equiv 0$, there exists an index $t\in\\{s+1,\ldots,n+1\\}$ such that $V_{1}\wedge V_{s}\wedge V_{t}\not\equiv 0$. This means that $P:=\det(V_{1},V_{s},V_{t})=\det\left(\begin{array}[]{ccc}(f^{1},H_{1})&(f^{1},H_{s})&(f^{1},H_{t})\\\ (f^{2},H_{1})&(f^{2},H_{s})&(f^{2},H_{t})\\\ (f^{3},H_{1})&(f^{3},H_{s})&(f^{3},H_{t})\end{array}\right)\not\equiv 0.$ Set $T(r)=\sum_{u=1}^{3}T_{f^{u}}(r)$. By Lemma 2.4, for $r\in E_{I_{0}}$ we have $\displaystyle T(r)$ $\displaystyle\geqslant\sum_{i=1,s,t}(N(r,\min\\{\nu_{(f^{u},H_{i}),\leqslant k_{i}};1\leqslant u\leqslant 3\\})-N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r))$ $\displaystyle+2\sum_{i=1}^{q}N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)+o(T(r))$ $\displaystyle\geqslant N_{1}(r)+N_{s}(r)+2\sum_{i=1}^{q}N^{(1)}_{(f,H_{i})}(r)+o(T(r))$ $\displaystyle\geqslant\dfrac{1}{n+1}\sum_{i=1}^{2n+2}N_{i}(r)+2\sum_{i=1}^{2n+2}N_{(f,H_{i}),\leqslant k_{i}}^{(1)}(r)+o(T(r)).$ $\displaystyle=\dfrac{1}{n+1}\sum_{i=1}^{2n+2}\biggl{(}\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(z)-(2n+1)N^{(1)}_{(f,H_{i})}(z)\biggl{)}+2\sum_{i=1}^{2n+2}N_{(f,H_{i}),\leqslant k_{i}}^{(1)}(r)$ $\displaystyle=\dfrac{1}{n+1}\sum_{i=1}^{2n+2}\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(z)+\dfrac{1}{3(n+1)}\sum_{i=1}^{2n+2}\sum_{u=1}^{3}N^{(1)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)$ $\displaystyle\geqslant(1+\dfrac{1}{3n})\dfrac{1}{n+1}\sum_{i=1}^{2n+2}\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)$ $\displaystyle\geqslant(1+\dfrac{1}{3n})\dfrac{1}{n+1}\sum_{i=1}^{2n+2}\sum_{u=1}^{3}\biggl{(}N^{(n)}_{(f^{u},H_{i})}(r)-N^{(n)}_{(f^{u},H_{i}),>k_{i}}(r)\biggl{)}$ $\displaystyle\geqslant(1+\dfrac{1}{3n})\dfrac{1}{n+1}\sum_{u=1}^{3}\biggl{(}n+1-\sum_{i=1}^{2n+2}\dfrac{n}{k_{i}+1}\biggl{)}T_{f^{u}}(r)+o(T(r))$ $\displaystyle=\bigl{(}1+\dfrac{1}{3n}-\dfrac{3n+1}{3(n+1)}\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}\bigl{)}T(r)+o(T(r)).$ Letting $r\rightarrow+\infty$ $(r\in E_{i_{0}})$ we get $\displaystyle 1\geqslant 1+\dfrac{1}{3n}-\dfrac{3n+1}{3(n+1)}\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}.$ Thus $\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}\geqslant\dfrac{n+1}{n(3n+1)}.$ This is a contradiction. Hence, $f^{1}\wedge f^{2}\wedge f^{3}\equiv 0.$ The lemma is proved. ∎ Now for three mappings $f^{1},f^{2},f^{3}\in\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{2n+2},1)$, we define: $\displaystyle F_{k}^{ij}$ $\displaystyle=\dfrac{(f^{k},H_{i})}{(f^{k},H_{j})}\ (0\leqslant k\leqslant 2,\ 1\leqslant i,j\leqslant 2n+2),$ $\displaystyle V_{i}$ $\displaystyle=((f^{1},H_{i}),(f^{2},H_{i}),(f^{3},H_{i}))\in\mathcal{M}_{m}^{3},$ $\displaystyle T_{i}$ $\displaystyle=\\{z;\nu_{(f,H_{i}),\leqslant k_{i}}(z)>0\\},S_{i}=\bigcup_{u=1}^{3}\\{z;\nu_{(f_{u},H_{i}),>k_{i}}(z)>0\\},$ $\displaystyle R_{i}$ $\displaystyle=\bigcap_{u=1}^{3}\\{z;\nu_{(f_{u},H_{i}),>k_{i}}(z)>0\\},$ $\displaystyle\nu_{i}$ $\displaystyle=\\{z;k_{i}\geqslant\nu_{(f^{u},H_{i})}(z)\geqslant\nu_{(f^{v},H_{i})}(z)=\nu_{(f^{t},H_{i})}(z)\text{ for a permutation }(u,v,t)\text{ of }(1,2,3)\\}.$ We write $V_{i}\cong V_{j}$ if $V_{i}\wedge V_{j}\equiv 0$, otherwise we write $V_{i}\not\cong V_{j}.$ For $V_{i}\not\cong V_{j}$, we wirte $V_{i}\sim V_{j}$ if there exist $1\leqslant u<v\leqslant 3$ such that $F_{u}^{ij}=F_{v}^{ij}$, otherwise we write $V_{i}\not\sim V_{j}$. ###### Lemma 3.3. With the assumption of Theorem 1.1. Let $h$ and $g$ be two elements of the family $\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{2n+2},1)$. If there exist a constant $\lambda$ and two indices $i,j$ such that $\dfrac{(h,H_{i})}{(h,H_{j})}=\lambda\dfrac{(g,H_{i})}{(g,H_{j})}$ then $\lambda=1$. Proof. By Lemma 3.1, we see that $h$ and $g$ are linearly nondegenerate and have the characteristic functions of the same order with the characteristic function of $f$. Setting $H=\dfrac{(h,H_{i})}{(h,H_{j})}\text{ and }G=\dfrac{(g,H_{i})}{(g,H_{j})}$ and $\displaystyle S_{t}^{\prime}=\\{z;\nu_{(h,H_{t}),>k_{t}}(z)>0\\}\cup\\{z;\nu_{(g,H_{t}),>k_{t}}(z)>0\\}\quad(1\leqslant t\leqslant 2n+2).$ Then $H=\lambda G$. Supposing that $\lambda\neq 1$, since $H=G$ on the set $\bigcup_{t\neq i,j}T_{t}\setminus(S_{i}^{\prime}\cup S_{j}^{\prime})$, we have $\bigcup_{t\neq i,j}T_{t}\subset S_{i}^{\prime}\cup S_{j}^{\prime}$. Thus $\displaystyle 0\geq$ $\displaystyle\sum_{t\neq i,j}N^{(1)}_{(f,H_{t}),\leqslant k_{t}}(r)-(N(r,S_{i}^{\prime})+N(r,S_{j}^{\prime}))$ $\displaystyle\geq$ $\displaystyle\dfrac{1}{2}\sum_{t\neq i,j}(N^{(1)}_{(h,H_{t}),\leqslant k_{t}}(r)+N^{(1)}_{(g,H_{t}),\leqslant k_{t}}(r))-(N(r,S_{i}^{\prime})+N(r,S_{j}^{\prime}))$ $\displaystyle\geq$ $\displaystyle\dfrac{1}{2n}\sum_{t\neq i,j}(N^{(n)}_{(h,H_{t})}(r)+N^{(n)}_{(g,H_{t})}(r))-\sum_{t=1}^{2n+2}(N^{(1)}_{(h,H_{t}),>k_{t}}(r)+N^{(1)}_{(g,H_{t}),>k_{t}}(r))$ $\displaystyle\geq$ $\displaystyle\dfrac{n-1}{2n}(T_{h}(r)+T_{g}(r))-\sum_{t=1}^{2n+2}\dfrac{1}{k_{t}+1}(T_{h}(r)+T_{g}(r))+o(T_{f}(r)).$ Letting $r\longrightarrow+\infty$, we get $\dfrac{n-1}{2n}\leqslant\sum_{t=1}^{2n+2}\dfrac{1}{k_{t}+1}.$ This is a contradiction. Therefore $\lambda=1$. The lemma is proved $\square$ ###### Lemma 3.4. Let $f^{1},f^{2},f^{3}$ be three elements of $\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{2n+2},1)$, where $k_{i}\ (1\leqslant i\leqslant 2n+2)$ are positive integers or $+\infty$. Suppose that $f^{1}\wedge f^{2}\wedge f^{3}\equiv 0$ and $V_{i}\sim V_{j}$ for some distinct indices $i$ and $j$. Then $f^{1},f^{2},f^{2}$ are not distinct. Proof. Suppose $f^{1},f^{2},f^{2}$ are distinct. Since $V_{i}\sim V_{j}$, we may suppose that $F_{1}^{ij}=F_{2}^{ij}\neq F_{3}^{ij}$. Since $f^{1}\wedge f^{2}\wedge f^{3}\equiv 0$ and $f^{1}\neq f^{2}$, there exists a meromorphic function $\alpha$ such that $F_{3}^{tj}=\alpha F_{1}^{tj}+(1-\alpha)F_{2}^{tj}\ (1\leqslant t\leqslant 2n+2).$ This implies that $F_{3}^{ij}=F_{1}^{ij}=F^{ij}_{2}$. This is a contradiction. Hence $f^{1},f^{2},f^{3}$ are not distinct. The lemma is proved $\square$ ###### Lemma 3.5. With the assumption of Theorem 1.1. Let $f^{1},f^{2},f^{3}$ be three maps in $\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{2n+2},1)$. Suppose that $f^{1},f^{2},f^{3}$ are distinct and there are two indices $i,j\in\\{1,2,\ldots,2n+2\\}\ (i\neq j)$ such that $V_{i}\not\cong V_{j}$ and $\Phi_{ij}^{\alpha}:=\Phi^{\alpha}(F_{1}^{ij},F_{2}^{ij},F_{3}^{ij})\equiv 0$ for every $\alpha=(\alpha_{1},\ldots,\alpha_{m})\in\mathbf{Z}^{m}_{+}$ with $|\alpha|=1$. Then for every $t\in\\{1,\ldots,2n+2\\}\setminus\\{i\\}$, the following assertion hold: * (i) $\Phi^{\alpha}_{it}\equiv 0$ for all $|\alpha|\leqslant 1,$ * (ii) if $V_{i}\not\cong V_{t}$ then $F_{1}^{ti},F_{2}^{ti},F_{3}^{ti}$ are distinct and $\displaystyle N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)$ $\displaystyle\geqslant\sum_{s\neq i,t}N^{(1)}_{(f,H_{s}),\leqslant k_{s}}(r)-N^{(1)}_{(f,H_{t}),\leqslant k_{t}}(r)-2(N(r,S_{i})+N(r,S_{t}))$ $\displaystyle\geqslant\sum_{s\neq i,t}N^{(1)}_{(f,H_{s}),\leqslant k_{s}}(r)-N^{(1)}_{(f,H_{t}),\leqslant k_{t}}(r)-2\sum_{u=1}^{3}\sum_{s=i,t}N_{(f^{u},H_{s}),\leqslant k_{s}}(r).$ Proof. By the supposition $V_{i}\not\cong V_{j}$, we may assume that $F_{2}^{ji}-F_{1}^{ji}\neq 0$. (a) For all $\alpha\in\mathbf{Z}^{m}_{+}$ with $|\alpha|=1$, we have $\Phi_{ij}^{\alpha}=0$, and hence $\displaystyle\mathcal{D}^{\alpha}\biggl{(}\dfrac{F_{3}^{ji}-F_{1}^{ji}}{F_{2}^{ji}-F_{1}^{ji}}\biggl{)}=$ $\displaystyle\dfrac{1}{(F_{2}^{ji}-F_{1}^{ji})^{2}}\cdot\biggl{(}(F_{2}^{ji}-F_{1}^{ji})\cdot\mathcal{D}^{\alpha}(F_{3}^{ji}-F_{1}^{ji})$ $\displaystyle\hskip 90.0pt-(F_{3}^{ji}-F_{1}^{ji})\cdot\mathcal{D}^{\alpha}(F_{2}^{ji}-F_{1}^{ji})\biggl{)}$ $\displaystyle=$ $\displaystyle\dfrac{1}{{(F_{2}^{ji}-F_{1}^{ji})^{2}}}\cdot\left|\begin{array}[]{cccc}1&1&1\\\ F_{1}^{ji}&F_{2}^{ji}&F_{3}^{ji}\\\ \mathcal{D}^{\alpha}(F_{1}^{ji})&\mathcal{D}^{\alpha}(F_{2}^{ji})&\mathcal{D}^{\alpha}(F_{3}^{ji})\end{array}\right|=0.$ Since the above equality hold for all $|\alpha|=1$, then there exists a constant $c\in{\mathbf{C}}$ such that $\displaystyle\dfrac{F_{3}^{ji}-F_{1}^{ji}}{F_{2}^{ji}-F_{1}^{ji}}=c$ By Theorem 3.2, we have $f^{1}\wedge f^{2}\wedge f^{3}=0.$ Then for each index $t\in\\{1,\ldots,2n+2\\}\setminus\\{i,j\\}$ we have $\displaystyle 0$ $\displaystyle=\det\left(\begin{array}[]{ccc}(f_{1},H_{i})&(f_{1},H_{j})&(f_{1},H_{t})\\\ (f_{2},H_{i})&(f_{2},H_{j})&(f_{2},H_{t})\\\ (f_{3},H_{i})&(f_{3},H_{j})&(f_{3},H_{t})\end{array}\right)=\prod_{u=1}^{3}(f^{u},H_{i})\cdot\det\left(\begin{array}[]{ccc}1&F_{1}^{ji}&F_{1}^{ti}\\\ 1&F_{2}^{ji}&F_{2}^{ti}\\\ 1&F_{3}^{ji}&F_{3}^{ti}\\\ \end{array}\right)$ $\displaystyle=\prod_{u=1}^{3}(f^{u},H_{i})\cdot\det\left(\begin{array}[]{ccc}F_{2}^{ji}-F_{1}^{ji}&F_{2}^{ti}-F_{1}^{ti}\\\ F_{3}^{ji}-F_{1}^{ji}&F_{3}^{ti}-F_{1}^{ti}\\\ \end{array}\right).$ Thus $(F_{2}^{ji}-F_{1}^{ji})\cdot(F_{3}^{ti}-F_{1}^{ti})=(F_{3}^{ji}-F_{1}^{ji})\cdot(F_{2}^{ti}-F_{1}^{ti}).$ If $F_{2}^{ti}-F_{1}^{ti}=0$ then $F_{3}^{ti}-F_{1}^{ti}=0$, and hence $\Phi^{\alpha}_{it}=0$ for all $\alpha\in\mathbf{Z}^{m}_{+}$ with $|\alpha|<1$. Otherwise, we have $\dfrac{F_{3}^{ti}-F_{1}^{ti}}{F_{2}^{ti}-F_{1}^{ti}}=\dfrac{F_{3}^{ji}-F_{1}^{ji}}{F_{2}^{ji}-F_{1}^{ji}}=c.$ This also implies that $\displaystyle\Phi^{\alpha}_{it}$ $\displaystyle=F_{1}^{it}\cdot F_{2}^{it}\cdot F_{3}^{it}\cdot\left|\begin{array}[]{ccc}1&1&1\\\ F_{1}^{ti}&F_{2}^{ti}&F_{3}^{ti}\\\ \mathcal{D}^{\alpha}(F_{1}^{ti})&\mathcal{D}^{\alpha}(F_{2}^{ti})&\mathcal{D}^{\alpha}(F_{3}^{ti})\\\ \end{array}\right|$ $\displaystyle=F_{1}^{it}\cdot F_{2}^{it}\cdot F_{3}^{it}\cdot\left|\begin{array}[]{cc}F_{2}^{ti}-F_{1}^{ti}&F_{3}^{ti}-F_{1}^{ti}\\\ \mathcal{D}^{\alpha}(F_{2}^{ti}-F_{1}^{ti})&\mathcal{D}^{\alpha}(F_{3}^{ti}-F_{1}^{ti})\\\ \end{array}\right|$ $\displaystyle=F_{1}^{it}\cdot F_{2}^{it}\cdot F_{3}^{it}\cdot\left|\begin{array}[]{cc}F_{2}^{ti}-F_{1}^{ti}&c(F_{2}^{ti}-F_{1}^{ti})\\\ \mathcal{D}^{\alpha}(F_{2}^{ti}-F_{1}^{ti})&c\mathcal{D}^{\alpha}(F_{2}^{ti}-F_{1}^{ti})\end{array}\right|=0.$ Then one always has $\Phi^{\alpha}_{it}=0$ for all $t\in\\{1,\ldots,2n+2\\}\setminus\\{i\\}$. The first assertion is proved. (b) We suppose that $V_{i}\not\cong V_{t}$. From the above part, we have $cF_{2}^{si}+(1-c)F_{1}^{si}=F_{3}^{si}\ (s\neq i).$ By the supposition $f^{1},f^{2},f^{3}$ are distinct, we have $c\not\in\\{0,1\\}$. This implies that $F_{1}^{ti},F_{2}^{ti},F_{3}^{ti}$ are distinct. We see that the second inequality is clear, then we prove the remain first inequality. We consider the meromorphic mapping $F^{t}$ of ${\mathbf{C}}^{m}$ into ${\mathbf{P}}^{1}({\mathbf{C}})$ with a reduced representation $F^{t}=(F_{1}^{ti}h_{t}:F_{2}^{ti}h_{t}),$ where $h_{t}$ is a meromorphic function on ${\mathbf{C}}^{m}$. We see that $\displaystyle T_{F^{t}}(r)=$ $\displaystyle T\biggl{(}r,\dfrac{F_{1}^{ti}}{F_{2}^{ti}}\biggl{)}\leqslant T(r,F_{1}^{ti})+T\biggl{(}r,\dfrac{1}{F_{2}^{ti}}\biggl{)}+O(1)$ $\displaystyle\leqslant T(r,F_{1}^{ti})+T(r,F_{2}^{ti})+O(1)\leqslant T_{f^{1}}(r)+T_{f^{2}}(r)+O(1)=O(T_{f}(r)).$ For a point $z\not\in I(F^{t})\cup S_{i}\cup S_{t}$ which is a zero of some functions $F_{u}^{ti}h_{t}\ (1\leqslant u\leqslant 3)$, then $z$ must be either zero of $(f,H_{i})$ with multiplicity at most $k_{i}$ or zero of $(f,H_{t})$ with multiplicity at most $k_{t}$, and hence $\sum_{u=1}^{3}\nu^{(1)}_{F_{u}^{ti}h_{t}}(z)=1\leqslant\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z)+\nu^{(1)}_{(f,H_{t}),\leqslant k_{t}}(z).$ This implies that $\sum_{u=1}^{3}\nu^{(1)}_{F_{u}^{ti}h_{t}}(z)\leqslant\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z)+\nu^{(1)}_{(f,H_{t}),\leqslant k_{t}}(z)+\chi_{S_{i}}(z)+\chi_{S_{t}}(z)$ outside an analytic subset of codimension two. By integrating both sides of this inequality, we get (3.6) $\displaystyle\sum_{u=1}^{3}N^{(1)}_{F_{u}^{ti}h_{t}}(r)\leqslant N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)+N^{(1)}_{(f,H_{t}),\leqslant k_{t}}(r)+N(r,S_{i})+N(r,S_{t}).$ By the second main theorem, we also have (3.7) $\displaystyle||\ T_{F^{t}}(r)\leqslant\sum_{u=1}^{3}N^{(1)}_{F_{u}^{ti}h_{t}}(r)+o(T(r)).$ On the other hand, applying the first main theorem to the map $F^{t}$ and the hyperplane $\\{w_{0}-w_{1}=0\\}$ in ${\mathbf{P}}^{1}({\mathbf{C}}),$ we have (3.8) $\displaystyle T_{F^{t}}(r)$ $\displaystyle\geqslant N_{(F_{1}^{ti}-F_{2}^{ti})h_{t}}(r)\geqslant\sum_{{\mathrel{\mathop{{v=1}}\limits_{{v\neq i,t}}}}}^{2n+2}N^{(1)}_{(f,H_{v}),\leqslant k_{v}}(r)-N(r,S_{i})-N(r,S_{t}).$ Therefore, from (3.6), (3.7) and (3.8) we have $\displaystyle||\ N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)\geqslant\sum_{{\mathrel{\mathop{{v=1}}\limits_{{v\neq i,t}}}}}^{2n+2}N^{(1)}_{(f,H_{v}),\leqslant k_{v}}(r)-N^{(1)}_{(f,H_{t}),\leqslant k_{t}}(r)-2(N(r,S_{i})+N(r,S_{t}))+o(T(r)).$ The second assertion of the lemma is proved. $\square$ ###### Lemma 3.9. With the assumption of Theorem 1.1, let $f^{1},f^{2},f^{3}$ be three meromorphic mappings in $\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{2n+2},1)$. Assume that there exist $i,j\in\\{1,2,\ldots,2n+2\\}\ (i\neq j)$ and $\alpha\in\mathbf{Z}^{m}_{+}$ with $|\alpha|=1$ such that $\Phi^{\alpha}_{ij}\not\equiv 0.$ Then we have $\displaystyle T(r)$ $\displaystyle\geqslant\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)+\sum_{k=1}^{3}N^{(n)}_{(f^{k},H_{j}),\leqslant k_{j}}(r)+2\sum_{{\mathrel{\mathop{{t\neq i,j}}\limits^{t=1}}}}^{2n+2}N_{(f,H_{t}),\leqslant k_{t}}^{(1)}(r)$ $\displaystyle\ \ \ -(2n+1)N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)-(n+1)N^{(1)}_{(f,H_{j}),\leqslant k_{j}}(r)+N(r,\nu_{j})$ $\displaystyle\ \ \ -N(r,S_{i})-N(r,S_{j})-(2n-2)N(r,R_{i})-(n-1)N(r,R_{j})+o(T(r))$ $\displaystyle\geqslant\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)+\sum_{k=1}^{3}N^{(n)}_{(f^{k},H_{j}),\leqslant k_{j}}(r)+2\sum_{{\mathrel{\mathop{{t\neq i,j}}\limits^{t=1}}}}^{2n+2}N_{(f,H_{t}),\leqslant k_{t}}^{(1)}(r)$ $\displaystyle\ \ \ -(2n+1)N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)-(n+1)N^{(1)}_{(f,H_{j}),\leqslant k_{j}}(r)+N(r,\nu_{j})$ $\displaystyle\ \ \ \ -\sum_{u=1}^{3}\bigl{(}(1+\dfrac{n-1}{3})N^{(1)}_{(f^{u},H_{j}),>k_{j}}-(1+\dfrac{2n-2}{3})N_{(f^{u},H_{i}),>k_{i}}\bigl{)}+o(T(r)).$ Proof. The second inequality is clear. We remain prove the first inequality. We have $\displaystyle\Phi^{\alpha}$ $\displaystyle=F_{1}^{ij}\cdot F_{2}^{ij}\cdot F_{3}^{ij}\cdot\left|\begin{array}[]{cccc}1&1&1\\\ F_{1}^{ji}&F_{2}^{ji}&F_{3}^{ji}\\\ \mathcal{D}^{\alpha}(F_{1}^{ji})&\mathcal{D}^{\alpha}(F_{2}^{ji})&\mathcal{D}^{\alpha}(F_{3}^{ji})\\\ \end{array}\right|$ $\displaystyle=\left|\begin{array}[]{cccc}F_{1}^{ij}&F_{2}^{ij}&F_{3}^{ij}\\\ 1&1&1\\\ F_{1}^{ij}\mathcal{D}^{\alpha}(F_{2}^{ji})&F_{2}^{ij}\mathcal{D}^{\alpha}(f^{ji})&F_{3}^{ij}\mathcal{D}^{\alpha}(g^{ji})\end{array}\right|$ Thus (3.10) $\displaystyle\begin{split}\Phi_{ij}^{\alpha}&=F_{1}^{ij}\biggl{(}\dfrac{\mathcal{D}^{\alpha}(F_{3}^{ji})}{F^{ji}_{3}}-\dfrac{\mathcal{D}^{\alpha}(F_{2}^{ji})}{F^{ji}_{2}}\biggl{)}+F^{ij}_{2}\biggl{(}\dfrac{\mathcal{D}^{\alpha}(F_{1}^{ji})}{F^{ji}_{1}}-\dfrac{\mathcal{D}^{\alpha}(F_{3}^{ji})}{F^{ji}_{3}}\biggl{)}\\\ &\ \ \ +F^{ij}_{3}\biggl{(}\dfrac{\mathcal{D}^{\alpha}(F_{2}^{ji})}{F^{ji}_{2}}-\dfrac{\mathcal{D}^{\alpha}(F_{1}^{ji})}{F^{ji}_{1}}\biggl{)}.\end{split}$ By the Logarithmic Derivative Lemma, it follows that $\displaystyle m(r,\Phi^{\alpha}_{ij})\leqslant\sum_{u=1}^{3}m(r,F_{u}^{ij})+2\sum_{u=1}^{3}m\biggl{(}\dfrac{\mathcal{D}^{\alpha}(F_{u}^{ji})}{F_{v}^{ji}}\biggl{)}+O(1)\leqslant\sum_{u=1}^{3}m(r,F_{u}^{ij})+o(T_{f}(r)).$ Therefore, we have $\displaystyle T(r)$ $\displaystyle\geqslant\sum_{u=1}^{3}T(r,F_{u}^{ij})=\sum_{u=1}^{3}(m(r,F_{u}^{ij})+N_{\frac{1}{F_{u}^{ij}}}(r))=m(r,\Phi^{\alpha}_{ij})+\sum_{u=1}^{3}N_{\frac{1}{F_{u}^{ij}}}(r)+o(T(r))$ $\displaystyle\geqslant T(r,\Phi^{\alpha}_{ij})-N_{\frac{1}{\Phi^{\alpha}_{ij}}}+\sum_{u=1}^{3}N_{\frac{1}{F_{u}^{ij}}}(r)+o(T(r))$ $\displaystyle\geqslant N_{\Phi^{\alpha}_{ij}}(r)-N_{\frac{1}{\Phi^{\alpha}_{ij}}}+\sum_{u=1}^{3}N_{\frac{1}{F_{u}^{ij}}}(r)+o(T(r))$ $\displaystyle=N(r,\nu_{\Phi^{\alpha}_{ij}})+\sum_{u=1}^{3}N_{\frac{1}{F_{u}^{ij}}}(r)+o(T(r)).$ Then, in order to prove the lemma, it is sufficient for us to prove $\displaystyle N(r,\nu_{\Phi^{\alpha}_{ij}})$ $\displaystyle\geqslant\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)+\sum_{k=1}^{3}N^{(n)}_{(f^{k},H_{j}),\leqslant k_{j}}(r)+2\sum_{{\mathrel{\mathop{{t\neq i,j}}\limits^{t=1}}}}^{2n+2}N_{(f,H_{t}),\leqslant k_{t}}^{(1)}(r)$ $\displaystyle\ \ \ -(2n+1)N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)-(n+1)N^{(1)}_{(f,H_{j}),\leqslant k_{j}}(r)-\sum_{u=1}^{3}N_{\frac{1}{F_{u}^{ij}}}(r)+N(r,\nu_{j})$ (3.11) $\displaystyle\ \ \ -N(r,S_{i})-N(r,S_{j})-(2n-2)N(r,R_{i})-(n-1)N(r,R_{j})+o(T(r)).$ Denote by $S$ the set of all singularities of $f^{-1}(H_{t})\ (1\leqslant t\leqslant q)$. Then $S$ is an analytic subset of codimension at least two in ${\mathbf{C}}^{m}$. We set $I=S\cup\bigcup_{s\neq t}\\{z;\nu_{(f,H_{s}),\leqslant k_{s}}(z)\cdot\nu_{(f,H_{t}),\leqslant k_{t}}(z)>0\\}.$ Then $I$ is also an analytic subset of codimension at least two in ${\mathbf{C}}^{m}$. In order to prove the inequality (3.11), it is sufficient for us to show that the following inequality (3.12) $\displaystyle P:{\mathrel{\mathop{{=}}\limits^{Def}}}$ $\displaystyle\sum_{u=1}^{3}\nu^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}+\sum_{u=1}^{3}\nu^{(n)}_{(f^{k},H_{j}),\leqslant k_{j}}+2\sum_{{\mathrel{\mathop{{t\neq i,j}}\limits^{t=1}}}}^{2n+2}\chi_{T_{t}}-(2n+1)\chi_{T_{i}}-(n+1)\chi_{T_{j}}$ $\displaystyle-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}+\chi_{\nu_{j}}-\chi_{S_{i}}-\chi_{S_{j}}-2(n-1)\chi_{R_{i}}-(n-1)\chi_{R_{j}}\leqslant\nu_{\Phi^{\alpha}_{ij}}.$ holds outside the set $I$. Indeed, for $z\not\in I$, we distinguish the following cases: Case 1: $z\in T_{t}\setminus S_{i}\cup S_{j}\ (t\neq i,j)$. We see that $P(z)=2$. We write $\Phi^{\alpha}_{ij}$ in the form $\Phi^{\alpha}_{ij}=F_{1}^{ij}\cdot F_{2}^{ij}\cdot F_{3}^{ij}\times\left|\begin{array}[]{cccc}\bigl{(}F_{1}^{ji}-F_{2}^{ji}\bigl{)}&\bigl{(}F_{1}^{ji}-F_{3}^{ji}\bigl{)}\\\ \mathcal{D}^{\alpha}\bigl{(}F_{1}^{ji}-F_{2}^{ji}\bigl{)}&\mathcal{D}^{\alpha}\bigl{(}F_{1}^{ji}-F_{3}^{ji}\bigl{)}\end{array}\right|.$ Then by the assumption that $f^{1},f^{2},f^{3}$ are identify on $T_{t}$, we have $F_{1}^{ji}=F_{2}^{ji}=F_{3}^{ji}$ on $T_{t}\setminus S_{i}$. The property of the wronskian implies that $\nu_{\Phi^{\alpha}_{ij}}(z)\geqslant 2=P(z)$. Case 2: $z\in T_{t}\cap(S_{i}\cup S_{j})\ (t\neq i,j)$. We see that $P(z)\leqslant-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)-1.$ From (3.10) we see that $\nu_{\Phi^{\alpha}_{ij}}(z)\geqslant\min\\{\nu_{F_{1}^{ij}}(z)-1,\nu_{F_{2}^{ij}}(z)-1,\nu_{F_{3}^{ij}}(z)-1\\}\geqslant P(z).$ Case 3: $z\in T_{i}\setminus S_{j}$. We have $P(z)=\sum_{u=1}^{3}\nu^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(z)-(2n+1)\leqslant\min_{1\leqslant u\leqslant 3}\\{\nu^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(z)\\}-1.$ We may assume that $\nu_{(f^{1},H_{i})}(z)\leqslant\nu_{(f^{2},H_{i})}(z)\leqslant\nu_{(f^{3},H_{i})}(z)$. We write $\displaystyle\Phi^{\alpha}_{ij}=F_{1}^{ij}\biggl{[}F_{2}^{ij}(F_{1}^{ji}-F_{2}^{ji})F_{3}^{ij}\mathcal{D}^{\alpha}(F_{1}^{ji}-F_{3}^{ji})-F_{3}^{ij}(F_{1}^{ji}-F_{2}^{ji})F_{2}^{ij}\mathcal{D}^{\alpha}(F_{1}^{ji}-F_{2}^{ji})\biggl{]}$ It is easy to see that $F_{2}^{ij}(F_{1}^{ji}-F_{2}^{ji})$ and $F_{3}^{ij}(F_{1}^{ji}-F_{3}^{ji})$ are holomorphic on a neighborhood of $z$ and $\nu^{\infty}_{F_{3}^{ij}\mathcal{D}^{\alpha}(F_{1}^{ji}-F_{3}^{ji})}(z)\leqslant 1$ and $\nu^{\infty}_{F_{2}^{ij}\mathcal{D}^{\alpha}(F_{1}^{ji}-F_{2}^{ji})}(z)\leqslant 1.$ Therefore, it implies that $\displaystyle\nu_{\Phi^{\alpha}_{ij}}(z)$ $\displaystyle\geqslant\nu^{(n)}_{(f^{1},H_{i}),\leqslant k_{i}}(z)-1\geqslant P(z).$ Case 4: $z\in T_{i}\cap S_{j}$. The assumption that $f^{1},f^{2},f^{3}$ are identity on $T_{i}$ yields that $z\in R_{j}$. We have $P(z)\leqslant\sum_{u=1}^{3}\nu_{(f^{u},H_{i}),\leqslant k_{i}}^{(n)}(z)-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)-(2n+1)-n\leqslant-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)-1.$ We have $\displaystyle\nu_{\Phi^{\alpha}_{ij}}(z)$ $\displaystyle\geqslant\min\\{\nu_{F_{1}^{ij}}(z)-1,\nu_{F_{2}^{ij}}(z)-1,\nu_{F_{3}^{ij}}(z)-1\\}\geqslant-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)-1\geqslant P(z).$ Case 5: $z\in T_{j}$. We may assume that $\nu_{F_{1}^{ji}}(z)=d_{1}\geqslant\nu_{F_{2}^{ji}}(z)=d_{2}\geqslant\nu_{F_{3}^{ji}}(z)=d_{3}.$ Choose a holomorphic function $h$ on ${\mathbf{C}}^{m}$ with multiplicity $1$ at $z$ such that $F_{u}^{ji}=h^{d_{u}}\varphi_{u}\ (1\leqslant u\leqslant 3),$ where $\varphi_{u}$ are meromorphic on ${\mathbf{C}}^{m}$ and holomorphic on a neighborhood of $z$. Then $\displaystyle\Phi^{\alpha}_{ij}$ $\displaystyle=F_{1}^{ij}\cdot F_{2}^{ij}\cdot F_{3}^{ij}\cdot\left|\begin{array}[]{ccc}F_{2}^{ji}-F_{1}^{ji}&F_{3}^{ji}-F_{1}^{ji}\\\ \mathcal{D}^{\alpha}(F_{2}^{ji}-F_{1}^{ji})&\mathcal{D}^{\alpha}(F_{3}^{ji}-F_{1}^{ji})\\\ \end{array}\right|$ $\displaystyle=F_{1}^{ij}\cdot F_{2}^{ij}\cdot F_{3}^{ij}\cdot h^{d_{2}+d_{3}}\cdot\left|\begin{array}[]{ccc}\varphi_{2}-h^{d_{1}-d_{2}}\varphi_{1}&\varphi_{3}-h^{d_{1}-d_{3}}\varphi_{1}\\\ \dfrac{\mathcal{D}^{\alpha}(h^{d_{2}-d_{3}}\varphi_{2}-h^{d_{1}-d_{3}}\varphi_{1})}{h^{d_{2}-d_{3}}}&\mathcal{D}^{\alpha}(\varphi_{3}-h^{d_{1}-d_{3}}\varphi_{1})\\\ \end{array}\right|.$ This yields that $\displaystyle\nu_{\Phi^{\alpha}_{ij}}(z)$ $\displaystyle\geqslant\sum_{u=1}^{3}\nu_{F_{u}^{ij}}(z)+d_{2}+d_{3}-\max\\{0,\min\\{1,d_{2}-d_{3}\\}\\}.$ If $z\not\in S_{i}$ then $\displaystyle P(z)$ $\displaystyle=-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)+\sum_{u=1}^{3}\min\\{n,d_{u}\\}-(n+1)+\chi_{\nu_{j}},$ and $\displaystyle\nu_{\Phi^{\alpha}_{ij}}(z)$ $\displaystyle\geqslant-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)+\sum_{u=1}^{3}\nu^{0}_{F_{u}^{ij}}(z)+d_{2}+d_{3}-1+\chi_{\nu_{j}}$ $\displaystyle\geqslant-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)+d_{2}+d_{3}-1+\chi_{\nu_{j}}\geqslant P(z).$ Otherwise, if $z\in S_{i}$ then $z\in R_{i}$, and hence $P(z)\leqslant\sum_{u=1}^{3}\nu^{(n)}_{(f^{u},H_{j}),\leqslant k_{j}}-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)-3n-1+\chi_{\nu_{j}}\leqslant-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)-3n,$ $\displaystyle\text{and \ \ }\nu_{\Phi^{\alpha}_{ij}}(z)$ $\displaystyle\geqslant-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)+\sum_{u=1}^{3}\nu^{0}_{F_{u}^{ij}}(z)+d_{2}+d_{3}-1$ $\displaystyle\geqslant-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)+\max\\{0,-d_{1}\\}+\max\\{d_{2},0\\}+\max\\{d_{3},0\\}-1\geqslant P(z).$ Case 6: $z\in(S_{i}\cup S_{j})\setminus(\bigcup_{t=1}^{2n+2}T_{t})$. Similarly as Case 5, we have $\displaystyle\nu_{\Phi^{\alpha}_{ij}}(z)$ $\displaystyle\geqslant-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)+\max\\{0,-d_{1}\\}+\max\\{d_{2},0\\}+\max\\{d_{3},0\\}-1$ $\displaystyle\geq-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)-1\geqslant-\sum_{u=1}^{3}\nu^{\infty}_{F_{u}^{ij}}(z)-\chi_{S_{i}}-\chi_{S_{j}}\geqslant P(z).$ From the above six cases, we see that the inequality (3.12) holds. Hence the lemma is proved $\square$ ###### Proof of theorem 1.1. Suppose that there exits three distinct meromorphic mappings $f^{1},f^{2},f^{3}$ in $\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{2n+2},1)$. By Lemma 3.2, we have $f^{1}\wedge f^{2}\wedge f^{3}\equiv 0$. Without loss of generality, we may assume that $\underbrace{V_{1}\cong\cdots\cong V_{l_{1}}}_{\text{ group }1}\not\cong\underbrace{V_{l_{1}+1}\cong\cdots\cong V_{l_{2}}}_{\text{ group }2}\not\equiv\underbrace{V_{l_{2}+1}\cong\cdots\cong V_{l_{3}}}_{\text{ group }3}\not\cong\cdots\not\cong\underbrace{V_{l_{s}+1}\cong\cdots\cong V_{l_{s+1}}}_{\text{ group }s},$ where $l_{s}=2n+2.$ Denote by $P$ the set of all $i\in\\{1,\ldots,2n+2\\}$ satisfying there exist $j\in\\{1,\ldots,2n+2\\}\setminus\\{i\\}$ such that $V_{i}\not\cong V_{j}$ and $\Phi^{\alpha}_{ij}\equiv 0$ for all $\alpha\in\mathbf{Z}^{m}_{+}$ with $|\alpha|\leqslant 1.$ We consider the following three cases. Case 1: $\sharp P\geqslant 2$. Then $P$ contains two elements $i,j$. Then we have $\Phi^{\alpha}_{ij}=\Phi^{\alpha}_{ji}=0$ for all $\alpha\in\mathbf{Z}^{m}_{+}$ with $|\alpha|\leqslant 1.$ By Lemma 2.3, there exist two functions, for instance they are $F_{1}^{ij}$ and $F^{2}_{ij}$, and a constant $\lambda$ such that $F_{1}^{ij}=\lambda F_{2}^{ij}$. This yields that $F_{1}^{ij}=F^{ij}_{2}$ (by Lemma 3.3). Then by Lemma 3.5 (ii), we easily see that $V_{i}\cong V_{j}$, i.e., $V_{i}$ and $V_{j}$ belong to the same group in the above partition. Without loss of generality, we may assum that $i=1$ and $j=2$. Since $f^{1},f^{2},f^{3}$ are supposed to be distinct, the number of each group in the above partition is less than $n+1$. Hence we have $V_{1}\cong V_{2}\not\cong V_{t}$ for all $t\in\\{n+1,\ldots,2n+2\\}$. Then by Lemma 3.5 (ii), we have $\displaystyle N^{(1)}_{(f,H_{i}),\leqslant k_{1}}(r)+N^{(1)}_{(f,H_{t}),\leqslant k_{t}}(r)$ $\displaystyle\geqslant\sum_{s\neq 1,t}N^{(1)}_{(f,H_{s}),\leqslant k_{s}}(r)-2\sum_{u=1}^{3}\sum_{s=1,t}N^{(1)}_{(f^{u},H_{s}),>k_{s}}(r),$ $\displaystyle\text{and }N^{(1)}_{(f,H_{2}),\leqslant k_{2}}(r)+N^{(1)}_{(f,H_{t}),\leqslant k_{t}}(r)$ $\displaystyle\geqslant\sum_{s\neq 2,t}N^{(1)}_{(f,H_{s}),\leqslant k_{s}}(r)-2\sum_{u=1}^{3}\sum_{s=2,t}N^{(1)}_{(f^{u},H_{s}),>k_{s}}(r).$ Summing-up both sides of the above two inequalities, we get $\displaystyle 2N^{(1)}_{(f,H_{t}),\leqslant k_{t}}(r)\geq$ $\displaystyle 2\sum_{s\neq 1,2,t}N^{(1)}_{(f,H_{s}),\leqslant k_{s}}(r)-2\sum_{u=1}^{3}(N^{(1)}_{(f^{u},H_{1}),>k_{1}}(r)+N^{(1)}_{(f^{u},H_{2}),>k_{2}}(r)$ $\displaystyle+2N^{(1)}_{(f^{u},H_{t}),>k_{t}}(r)).$ After summing-up both sides of the above inequalities over all $t\in\\{n+1,2n+2\\}$, we easily obtain $\displaystyle||\ \sum_{u=1}^{3}((n+2)$ $\displaystyle(N^{(1)}_{(f^{u},H_{1}),>k_{1}}(r)+N^{(1)}_{(f^{u},H_{2}),>k_{2}}(r))+2\sum_{t=n+1}^{2n+2}N^{(1)}_{(f^{u},H_{t}),>k_{t}}(r))$ $\displaystyle\geqslant(n+2)\sum_{t=3}^{n}N^{(1)}_{(f,H_{t}),\leqslant k_{t}}(r)+n\sum_{t=n+1}^{2n+2}N^{(1)}_{(f,H_{t}),\leqslant k_{t}}(r)$ $\displaystyle\geqslant n\sum_{t=3}^{2n+2}N^{(1)}_{(f,H_{t}),\leqslant k_{t}}(r)\geqslant\dfrac{n}{3}\sum_{u=1}^{3}\sum_{t=3}^{2n+2}N^{(1)}_{(f_{u},H_{t}),\leqslant k_{t}}(r)$ $\displaystyle\geqslant\dfrac{n}{3}\sum_{u=1}^{3}\sum_{t=3}^{2n+2}N^{(1)}_{(f_{u},H_{t})}(r)-\dfrac{n}{3}\sum_{u=1}^{3}\sum_{t=3}^{2n+2}N^{(1)}_{(f^{u},H_{t}),>k_{t}}(r)$ $\displaystyle\geqslant\dfrac{1}{3}\sum_{u=1}^{3}\sum_{t=3}^{2n+2}N^{(n)}_{(f_{u},H_{t})}(r)-\dfrac{n}{3}\sum_{u=1}^{3}\sum_{t=3}^{2n+2}N^{(1)}_{(f^{u},H_{t}),>k_{t}}(r)$ $\displaystyle\geqslant\dfrac{n-1}{3}T(r)-\dfrac{n}{3}\sum_{u=1}^{3}\sum_{t=3}^{2n+2}N^{(1)}_{(f^{u},H_{t}),>k_{t}}(r)+o(T(r)).$ Therefore, we have $\displaystyle\dfrac{n-1}{3}T(r)$ $\displaystyle\leqslant(n+2)\sum_{u=1}^{3}\sum_{t=1}^{2n+2}N^{(1)}_{(f^{u},H_{t}),>k_{t}}(r)\leqslant(n+2)\sum_{u=1}^{3}\sum_{t=1}^{2n+2}\dfrac{1}{k_{t}+1}N_{(f^{u},H_{t}),>k_{t}}(r)$ $\displaystyle\leqslant(n+2)\sum_{t=1}^{2n+2}\dfrac{1}{k_{t}+1}T(r).$ Letting $r\longrightarrow+\infty$, we get $\dfrac{n-1}{3(n+2)}\leqslant\sum_{t=1}^{2n+2}\dfrac{1}{k_{t}+1}.$ This is a contradiction. Case 2: $\sharp P=1$. We assume that $P=\\{1\\}$. We easily see that $V_{1}\not\cong V_{i}$ for all $i=2,\ldots,2n+2$ (otherwise $i\in P$, this contradict to $\sharp P=1$). Then by Lemma 3.5 (ii), we have $\displaystyle N^{(1)}_{(f,H_{1}),\leqslant k_{1}}(r)\geqslant\sum_{s\neq 1,i}N^{(1)}_{(f,H_{s}),\leqslant k_{s}}(r)-N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)-2\sum_{u=1}^{3}\sum_{s=1,i}N^{(1)}_{(f^{u},H_{s}),>k_{s}}(r)+o(T(r)).$ Summing-up both sides of the above inequality over all $i=2,\ldots,2n+2$, we get (3.13) $\displaystyle\begin{split}(2n+1)N^{(1)}_{(f,H_{1}),\leqslant k_{1}}(r)\geq&(2n-1)\sum_{i=2}^{2n+2}N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)-2\sum_{u=1}^{3}\sum_{i=2}^{2n+2}N^{(1)}_{(f^{u},H_{i}),>k_{s}}(r)\\\ &-2(2n+1)\sum_{u=1}^{3}N^{(1)}_{(f^{u},H_{1}),>k_{1}}(r)+o(T(r)).\end{split}$ We also see that $i\not\in P$ for all $2\leqslant i\leqslant 2n+2$. We set $\sigma(i)=\begin{cases}i+n&\text{ if }i\leqslant n+2,\\\ i-n&\text{ if }n+2<i\leqslant 2n+2.\end{cases}$ Then we easily see that $i$ and $\sigma(i)$ belong to two distinct groups, i.e, $V_{i}\not\cong V_{\sigma(i)}$, for all $i\in\\{2,\ldots,2n+2\\}$, and hence $\Phi^{\alpha}_{i\sigma(i)}\not\equiv 0$ for all $\alpha\in\mathbf{Z}^{m}_{+}$ with $|\alpha|\leqslant 1$. By Lemma 3.6 we have $\displaystyle T(r)\geq$ $\displaystyle\sum_{u=1}^{3}\sum_{t=i,\sigma(i)}N^{(n)}_{(f^{u},H_{t}),\leqslant k_{t}}(r)-(2n+1)N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)-(n+1)N^{(1)}_{(f,H_{\sigma(i)}),\leqslant k_{\sigma(i)}}(r)$ $\displaystyle+2\sum_{{\mathrel{\mathop{{t\neq i,{\sigma(i)}}}\limits^{t=1}}}}^{2n+2}N_{(f,H_{t}),\leqslant k_{t}}^{(1)}(r)-\sum_{u=1}^{3}\biggl{(}\dfrac{2n+1}{3}N^{(1)}_{(f^{u},H_{i}),>k_{i}}(r)+\dfrac{n+2}{3}N^{(1)}_{(f^{u},H_{\sigma(i)}),>k_{\sigma(i)}}\biggl{)}$ $\displaystyle+o(T(r)).$ Summing-up both sides of the above inequalities over all $i\in\\{2,\ldots,2n+2\\}$, we get $\displaystyle(2n+1)$ $\displaystyle T(r)\geqslant 2\sum_{i=2}^{2n+2}\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)+(n-4)\sum_{i=2}^{2n+2}N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)$ $\displaystyle\ \ \ \ \ \ +2(2n+1)N^{(1)}_{(f,H_{1}),\leqslant k_{1}}(r)-(n+1)\sum_{u=1}^{3}\sum_{i=2}^{2n+2}N^{(1)}_{(f^{u},H_{i}),>k_{i}}+o(T(r))$ $\displaystyle\geqslant 2\sum_{i=2}^{2n+2}\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)+\dfrac{5n-6}{3}\sum_{u=1}^{3}\sum_{i=2}^{2n+2}N^{(1)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)$ $\displaystyle-(8n+4)\sum_{u=1}^{3}N^{(1)}_{(f^{u},H_{1}),>k_{1}}(r)-(n+5)\sum_{u=1}^{3}\sum_{i=2}^{2n+2}N^{(1)}_{(f^{u},H_{i}),>k_{i}}+o(T(r))+o(T(r))$ $\displaystyle\geqslant\dfrac{11n-6}{3n}\sum_{u=1}^{3}\sum_{i=1}^{2n+2}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)$ $\displaystyle-\dfrac{4n+2}{3}\sum_{u=1}^{3}N^{(1)}_{(f^{u},H_{1}),>k_{1}}(r)-(n+1)\sum_{u=1}^{3}\sum_{i=2}^{2n+2}N^{(1)}_{(f^{u},H_{i}),>k_{i}}+o(T(r))+o(T(r))$ $\displaystyle\geqslant\dfrac{11n-6}{3n}\sum_{u=1}^{3}\sum_{i=2}^{2n+2}N^{(n)}_{(f^{u},H_{i})}(r)$ $\displaystyle-(8n+4)\sum_{u=1}^{3}N^{(1)}_{(f^{u},H_{1}),>k_{1}}(r)-\dfrac{14n+3}{3}\sum_{u=1}^{3}\sum_{i=2}^{2n+2}N^{(1)}_{(f^{u},H_{i}),>k_{i}}+o(T(r))+o(T(r))$ $\displaystyle\geqslant\dfrac{11n-6}{3}T(r)-(8n+4)\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}T(r)+o(T(r)).$ Letting $r\longrightarrow+\infty$, we get $\displaystyle\dfrac{5n-9}{24n+12}\leqslant\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}.$ This is a contradiction. Case 3: $P=\emptyset$. Then for all $i\neq j$, by Lemma 3.6 we have $\displaystyle T(r)$ $\displaystyle\geqslant\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)+\sum_{k=1}^{3}N^{(n)}_{(f^{k},H_{j}),\leqslant k_{j}}(r)+2\sum_{{\mathrel{\mathop{{t\neq i,j}}\limits^{t=1}}}}^{2n+2}N_{(f,H_{t}),\leqslant k_{t}}^{(1)}(r)$ $\displaystyle\ \ -(2n+1)N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)-(n+1)N^{(1)}_{(f,H_{j}),\leqslant k_{j}}(r)+N(r,\nu_{j})$ $\displaystyle\ \ -\sum_{u=1}^{3}\bigl{(}(1+\dfrac{n-1}{3})N^{(1)}_{(f^{u},H_{j}),>k_{j}}(r)+(1+\dfrac{2n-2}{3})N^{(1)}_{(f^{u},H_{i}),>k_{i}}(r)\bigl{)}+o(T(r)).$ Summing-up both sides of the above inequalities over all pairs $(i,j)$ we get $\displaystyle(2n+2)T(r)\geqslant$ $\displaystyle 2\sum_{u=1}^{3}\sum_{t=1}^{2n+2}N^{(n)}_{(f^{u},H_{t}),\leqslant k_{t}}(r)+(n-2)\sum_{t=1}^{2n+2}N^{(1)}_{(f,H_{t}),\leqslant k_{t}}(r)+\sum_{t=1}^{2n+2}N(r,\nu_{t})$ (3.14) $\displaystyle-(n+1)\sum_{u=1}^{3}\sum_{t=1}^{2n+2}N_{(f^{u},H_{i}),>k_{i}}+o(T(r)).$ On the other hand, by Lemma 3.4, we see that $V_{j}\not\sim V_{l}$ for all $j\neq l$. Hence, we have $P_{st}^{jl}:{\mathrel{\mathop{{=}}\limits^{Def}}}(f^{s},H_{j})(f^{t},H_{l})-(f^{t},H_{l})(f^{s},H_{j})\not\equiv 0\ (s\neq t,j\neq l).$ ###### Claim 3.15. With $i\neq j\neq l\neq i$, for every $z\in T_{i}$ we have $\sum_{1\leqslant s<t\leqslant 3}\nu_{P_{st}^{jl}}(z)\geqslant 4\chi_{T_{i}}(z)-\chi_{\nu_{i}}(z).$ Indeed, for $z\in T_{i}\setminus\nu_{i}$, we may assume that $\nu_{(f^{1},H_{i})}(z)<\nu_{(f^{2},H_{i})}(z)\leqslant\nu_{(f^{3},H_{i})}(z)$. Since $f^{1}\wedge f^{2}\wedge f^{3}\equiv 0$, we have $\det(V_{i},V_{j},V_{l})\equiv 0$, and hence $\displaystyle(f^{1},H_{i})P_{23}^{jl}=(f^{2},H_{i})P_{13}^{jl}-(f^{3},H_{i})P_{12}^{jl}.$ This yields that $\nu_{P_{23}^{jl}}(z)\geqslant 2$ and hence $\sum_{1\leqslant s<t\leqslant 3}\nu_{P_{st}^{jl}}(z)\geqslant 4=4\chi_{T_{i}}(z)-\chi_{\nu_{i}}(z)$ . Now, for $z\in\nu_{i}$, we have $\sum_{1\leqslant s<t\leqslant 3}\nu_{P_{st}^{jl}}(z)\geqslant 3=4\chi_{T_{i}}(z)-\chi_{\nu_{i}}(z)$. Hence, the claim is proved. On the other hand, with $i=j$ or $i=l$, for every $z\in\\{\nu_{(f,H_{i}),\leqslant k_{i}}(z)>0\\}$ we see that $\displaystyle\nu_{P_{st}^{jl}}(z)\geq$ $\displaystyle\min\\{\nu_{(f^{s},H_{i}),\leqslant k_{i}}(z),\nu_{(f^{t},H_{i}),\leqslant k_{i}}(z)\\}$ $\displaystyle\geq$ $\displaystyle\nu^{(n)}_{(f^{s},H_{i}),\leqslant k_{i}}(z)+\nu^{(n)}_{(f^{t},H_{i}),\leqslant k_{i}}(z)-n\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z).$ $\text{and hence \ }\sum_{1\leqslant s<t\leqslant 3}\nu_{P_{st}^{jl}}(z)\geqslant 2\sum_{u=1}^{3}\nu^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(z)-3n\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z).$ Combining this inequality and the above claim, we have $\sum_{1\leqslant s<t\leqslant 3}\nu_{P_{st}^{jl}}(z)\geqslant\sum_{i=j,l}(2\sum_{u=1}^{3}\nu^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(z)-3n\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z))+\sum_{i\neq j,l}(4\nu^{(1)}_{(f,H_{i}),\leqslant k_{i}}(z)-\chi_{\nu_{i}}(z)).$ This yields that (3.16) $\displaystyle\begin{split}\sum_{1\leqslant s<t\leqslant 3}N_{P_{st}^{jl}}(z)\geqslant&\sum_{i=j,l}(2\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)-3nN^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r))\\\ &+\sum_{i\neq j,l}(4N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)-N(r,\nu_{i})).\end{split}$ On the other hand, be Jensen formula, we easily see that $N_{P_{st}^{jl}}(z)\leqslant T_{f^{s}}(r)+T_{f^{t}}(r)+o(T(r))\ (1\leqslant s<t\leqslant 3).$ Then the inequality (3.16) implies that $\displaystyle 2T(r)\geqslant$ $\displaystyle\sum_{i=j,l}(2\sum_{u=1}^{3}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)-3nN^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r))+\sum_{i\neq j,l}(4N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)-N(r,\nu_{i})).$ Summing-up both sides of the above inequalities over all pair $(j,l)$, we obtain $\displaystyle 2T(r)\geq$ $\displaystyle\dfrac{2}{n+1}\sum_{u=1}^{3}\sum_{i=1}^{2n+2}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)+\dfrac{n}{3\times(n+1)}\sum_{u=1}^{3}\sum_{i=1}^{2n+2}N^{(1)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)$ $\displaystyle-\dfrac{n}{n+1}\sum_{i=1}^{2n+2}N(r,\nu_{i})+o(T(r)).$ Thus $\displaystyle\sum_{i=1}^{2n+2}N(r,\nu_{i})\geq$ $\displaystyle\dfrac{2}{n}\sum_{u=1}^{3}\sum_{i=1}^{2n+2}N^{(n)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)+\dfrac{1}{3}\sum_{u=1}^{3}\sum_{i=1}^{2n+2}N^{(1)}_{(f^{u},H_{i}),\leqslant k_{i}}(r)$ $\displaystyle-\dfrac{2(n+1)}{n}T(r)+o(T(r)).$ Using this estimate, from (3.14) we have $\displaystyle(2n+2)T(r)\geqslant$ $\displaystyle(2+\dfrac{2}{n})\sum_{u=1}^{3}\sum_{t=1}^{2n+2}N^{(n)}_{(f^{u},H_{t}),\leqslant k_{t}}(r)+\dfrac{n-1}{3}\sum_{u=1}^{3}\sum_{t=1}^{2n+2}N^{(1)}_{(f_{u},H_{t}),\leqslant k_{t}}(r)$ $\displaystyle-\dfrac{2(n+1)}{n}T(r)-(n+1)\sum_{u=1}^{3}\sum_{t=1}^{2n+2}N_{(f^{u},H_{i}),>k_{i}}+o(T(r)).$ $\displaystyle\geqslant(2+\dfrac{2}{n}+\dfrac{n-1}{3n})\sum_{u=1}^{3}\sum_{t=1}^{2n+2}N^{(n)}_{(f^{u},H_{t}),\leqslant k_{t}}(r)-\dfrac{2(n+1)}{n}T(r)$ $\displaystyle-(n+1)\sum_{u=1}^{3}\sum_{t=1}^{2n+2}N_{(f^{u},H_{i}),>k_{i}}+o(T(r)).$ $\displaystyle\geqslant(2+\dfrac{2}{n}+\dfrac{n-1}{3n})\sum_{u=1}^{3}\sum_{t=1}^{2n+2}N^{(n)}_{(f^{u},H_{t})}(r)-\dfrac{2(n+1)}{n}T(r)$ $\displaystyle-(3n+3+\dfrac{n-1}{3})\sum_{u=1}^{3}\sum_{t=1}^{2n+2}N_{(f^{u},H_{i}),>k_{i}}+o(T(r)).$ $\displaystyle\geqslant(2+\dfrac{2}{n}+\dfrac{n-1}{3n})(n+1)T(r)-\dfrac{2(n+1)}{n}T(r)$ $\displaystyle-(3n+3+\dfrac{n-1}{3})\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}T(r)+o(T(r)).$ Letting $r\longrightarrow+\infty$, we get $2n+2\geqslant(2+\dfrac{2}{n}+\dfrac{n-1}{3n})(n+1)-\dfrac{2(n+1)}{n}-(3n+3+\dfrac{n-1}{3})\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}.$ Thus $\sum_{i=1}^{2n+2}\dfrac{1}{k_{i}+1}\geqslant\dfrac{n^{2}-1}{10n^{2}+8n}$ This is a contradiction. Hence the supposition is impossible. Therefore, $\sharp\mathcal{F}(f,\\{H_{i},k_{i}\\}_{i=1}^{2n+2},1)\leqslant 2$. We complete the proof of the theorem. ∎ ###### Proof of Theorem 1.4. Let $f^{1},f^{2},f^{3}\in\mathcal{F}(f,\\{H_{i},k_{i}\\}^{2n+1}_{i=1},p)$. Suppose that $f^{1}\times f^{2}\times f^{3}:{\mathbf{C}}^{m}\rightarrow{\mathbf{P}}^{n}({\mathbf{C}})\times{\mathbf{P}}^{n}({\mathbf{C}})\times{\mathbf{P}}^{n}({\mathbf{C}})$ is linearly nondegenerate, where ${\mathbf{P}}^{n}({\mathbf{C}})\times{\mathbf{P}}^{n}({\mathbf{C}})\times{\mathbf{P}}^{n}({\mathbf{C}})$ is embedded into ${\mathbf{P}}^{(n+1)^{3}-1}({\mathbf{C}})$ by Seger imbedding. Then for every $s,t,l$ we have $P:=Det\left(\begin{array}[]{ccc}(f^{1},H_{s})&(f^{1},H_{t})&(f^{1},H_{l})\\\ (f^{2},H_{s})&(f^{2},H_{t})&(f^{2},H_{l})\\\ (f^{3},H_{s})&(f^{3},H_{t})&(f^{3},H_{l})\end{array}\right)\not\equiv 0.$ By Lemma 2.4 we have $\displaystyle T(r)\geqslant$ $\displaystyle\sum_{i=s,t,l}(N(r,\min\\{\nu_{(f^{u},H_{i}),\leqslant k_{i}};1\leqslant u\leqslant 3\\})$ $\displaystyle-N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r))+2\sum_{i=1}^{2n+1}N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)+o(T(r)),$ where $T(r)=\sum_{u=1}^{3}T_{f^{u}}(r)$. Summing-up both sides of the above inequality over all $(s,t,l)$, we obtain $\displaystyle T(r)\geqslant\dfrac{1}{2n+1}\sum_{i=1}^{2n+1}$ $\displaystyle(3N(r,\min\\{\nu_{(f^{u},H_{i}),\leqslant k_{i}};1\leqslant u\leqslant 3\\})$ (3.17) $\displaystyle+(4n-1)N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r))+o(T(r)).$ It is easy to see that for positive integers $a,b,c$ with $\min\\{a,p\\}=\min\\{b,p\\}=\min\\{c,p\\}$, we have $3\min\\{a,b,c\\}+(4n-1)\geqslant\dfrac{4n-1+3p}{2n+p}(\min\\{a,n\\}+\min\\{b,n\\}+\min\\{c,n\\}).$ Hence $\displaystyle 3N(r,\min\\{\nu_{(f^{u},H_{i}),\leqslant k_{i}};1\leqslant u\leqslant 3\\})$ $\displaystyle+(4n-1)N^{(1)}_{(f,H_{i}),\leqslant k_{i}}(r)$ $\displaystyle\geqslant\dfrac{4n-1+3p}{2n+p}\sum_{u=1}^{3}N^{(n)}_{(f,H_{i}),\leqslant k_{i}}(r),\ (1\leqslant i\leqslant 2n+1).$ Therefore, the inequality (3.17) implies that $\displaystyle T(r)$ $\displaystyle\geqslant\dfrac{1}{2n+1}\sum_{i=1}^{2n+1}\dfrac{4n-1+3p}{2n+p}\sum_{u=1}^{3}N^{(n)}_{(f,H_{i}),\leqslant k_{i}}(r)+o(T(r))$ $\displaystyle\geqslant\dfrac{4n-1+3p}{(2n+1)(2n+p)}\sum_{i=1}^{2n+1}\sum_{u=1}^{3}(N^{(n)}_{(f,H_{i})}(r)-N^{(n)}_{(f,H_{i}),>k_{i}}(r))+o(T(r))$ $\displaystyle\geqslant\dfrac{4n-1+3p}{(2n+1)(2n+p)}(n-\sum_{i=1}^{2n+1}\dfrac{n}{k_{i}+1})T(r)+o(T(r)).$ Letting $r\longrightarrow+\infty$, we get $1\geqslant\dfrac{4n-1+3p}{(2n+1)(2n+p)}(n-\sum_{i=1}^{2n+1}\dfrac{n}{k_{i}+1}),$ $i.e.,\sum_{i=1}^{2n+1}\dfrac{1}{k_{i}+1}\geqslant\dfrac{np-3n-p}{4n^{2}+3np-n}.$ This is a contradiction. Hence, the map $f^{1}\times f^{2}\times f^{3}$ is linearly degenerate. The theorem is proved. ∎ ## References * [1] Z. Chen and Q. Yan, Uniqueness theorem of meromorphic mappings into ${\mathbf{P}}^{n}({\mathbf{C}})$ sharing $2N+3$ hyperplanes regardless of multiplicities, Internat. J. Math., 20 (2009), 717-726. * [2] H. Fujimoto, Uniqueness problem with truncated multiplicities in value distribution theory, Nagoya Math. J., 152 (1998), 131-152. * [3] R. Nevanlinna, Einige Eideutigkeitssätze in der Theorie der meromorphen Funktionen, Acta. Math., 48 (1926), 367-391. * [4] J. Noguchi and T. Ochiai, Introduction to Geometric Function Theory in Several Complex Variables, Trans. Math. Monogr. 80, Amer. Math. Soc., Providence, Rhode Island, 1990. * [5] S. D. Quang, Unicity of meromorphic mappings sharing few hyperplanes, Ann. Polon. Math., 102 No. 3 (2011), 255-270. * [6] S. D. Quang, A finiteness theorem for meromorphic mappings sharing few hyperplanes, Kodai Math. J., 102 No. 35 (2012), 463-484. * [7] L. Smiley, Geometric conditions for unicity of holomorphic curves, Contemp. Math. 25 (1983), 149-154. * [8] Q. Yan and Z. Chen, Degeneracy theorem for meromorphic mappings with truncated multiplicity, Acta Math. Scientia, 31B (2011) 549-560.
arxiv-papers
2014-02-22T17:33:30
2024-09-04T02:49:58.641503
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/4.0/", "authors": "Si Duc Quang", "submitter": "Si Duc Quang", "url": "https://arxiv.org/abs/1402.5533" }
1402.5578
# KINETIC EVOLUTION OF THE GLASMA AND THERMALIZATION IN HEAVY ION COLLISIONS XU-GUANG HUANG Physics Department and Center for Particle Physics and Field Theory, Fudan University, Shanghai 200433, China. [email protected] JINFENG LIAO Physics Department and Center for Exploration of Energy and Matter, Indiana University, 2401 N Milo B. Sampson Lane, Bloomington, IN 47408, USA. RIKEN BNL Research Center, Bldg. 510A, Brookhaven National Laboratory, Upton, NY 11973, USA. [email protected] (Day Month Year; Day Month Year) ###### Abstract In relativistic heavy ion collisions, a highly occupied gluonic matter is created shortly after initial impact, which is in a non-thermal state and often referred to as the Glasma. Successful phenomenology suggests that the glasma evolves rather quickly toward the thermal quark-gluon plasma and a hydrodynamic behavior emerges at very early time $\sim\hat{o}(1)\,\rm fm/c$. Exactly how such “apparent thermalization” occurs and connects the initial conditions to the hydrodynamic onset, remains a significant challenge for theory as well as phenomenology. We briefly review various ideas and recent progress in understanding the approach of the glasma to the thermalized quark- gluon plasma, with an emphasis on the kinetic theory description for the evolution of such far-from-equilibrium and highly overpopulated, thus weakly- coupled yet strongly interacting glasma. ###### keywords: Thermalization; Glasma; Heavy Ion Collisions; Kinetic Theory. PACS numbers:12.38.Mh, 25.75.-q, 05.60.-k, 03.75.Nt ## 1 Introduction Relativistic heavy ion collisions provide the unique way for creating and measuring new forms of strongly interacting matter. Such experiments are now carried out at both the Relativistic Heavy Ion Collider (RHIC) [1, 2, 3, 4] and the Large Hadron Collider (LHC) [5]. In such collisions, two large nuclei (e.g. gold or lead ions) are accelerated to move at nearly the speed of light and collide with each other, creating a domain of matter with extremely high energy density well exceeding the expected energy density for the transition from confined hadronic matter to deconfined strongly interacting quark-gluon matter. This matter subsequently evolves toward a thermal quark-gluon plasma (QGP) [6, 7] experiencing hydrodynamic expansion [8, 9, 10, 11]. The QGP expands in a viscous-hydrodynamic way and eventually cools down enough to hadronize into the hadronic gas that further expands and ultimately freezes out into thousands of individual hadrons measured by detectors. The evolution during such collisions is highly dynamical and involves the thermal, near- thermal (transport), as well as far-from-thermal properties of the created strongly interacting matter. The focus of this brief review is the so-called “thermalization” problem [12, 13, 14, 15], which is about how the system evolves from the initial condition to the nearly thermal QGP, in a relatively short time at the order of $\sim\hat{o}(1)\,\rm fm/c$. In order to understand the context, let us first discuss what is before and after this short transient period. Before collision, the initial state of the large nuclei at very high energy can be relatively well understood and described by the so-called color glass condensate (CGC) effective theory, with an inherent momentum scale called the saturation scale $Q_{s}$. The scale $Q_{s}$ grows with collisional beam energy and with the size of nuclei, and for RHIC and LHC collisions the relevant scale is on the order of a few $\rm GeV$, which implies that the relevant QCD coupling $\alpha_{s}$ is not large and weak coupling description should be feasible at least initially. On the other hand, successful phenomenology based on hydrodynamic simulations of the fireball evolution have provided accurate and detailed descriptions of an incredible amount of data from RHIC to LHC. Essentially all such simulations require the hydrodynamic stage to start at a very short time, typically $0.5\sim 1\,\rm fm/c$, after the initial collision. The onset of hydrodynamic behavior is usually assumed as an indication of nearly local thermal equilibration, so the system seems to have a very short pre-equilibrium evolution stage in between the initial state and the hydrodynamic onset. Normally a short relaxation time $\tau\sim 1/(\alpha_{s}^{2}Q_{s})$ toward equilibrium would indicate large coupling, which apparently is in tension with the relatively high scale $Q_{s}$ thus small coupling from the initial state. To make it even more complicated, there is strong longitudinal expansion from the very beginning of the evolution which constantly drives system toward significant anisotropy between longitudinal and transverse pressures: to what degree the system maintains (an)isotropy and how, remain as open questions. To date, a precise understanding of evolution toward the (apparent and approximate) thermalization in such pre-equilibrium matter, called the “glasma” (in between the color glass condensate and the thermal quark-gluon plasma), is still lacking. The thermalization problem thus presents both an outstanding theoretical challenge and a significant phenomenological gap. With more than a decade’s study on this problem, many different ideas and approaches have been proposed and developed and varied mechanisms are found to play certain roles. These include e.g. the kinetic evolutions emphasizing either elastic or inelastic or both processes, the various plasma instabilities, the real time lattice simulations based on classical statistical field theories, and more recently the strongly coupled scenarios based on gauge/gravity duality framework. It is difficult to sufficiently discuss all these in the present paper, and there already exist excellent sources covering one or more aspects of these. For recent reviews, see e.g. [12, 13, 14, 15]. Instead, we will focus on the discussions of the transport approach, with an emphasis on some recent nontrivial results in the kinetic evolution of the far-from-equilibrium and highly overpopulated glasma. The rest of the paper is organized as follows. In Section 2, we will briefly survey the general context and the key issues in the pre-equilibrium evolution, including discussions on approaches other than the kinetic one. In Section 3, the kinetic framework for describing the glasma will be introduced and different scattering processes will be discussed. The Section 4 will summarize some recent results on the kinetic evolution of the glasma that make the nontrivial link from the initial overpopulation to possible dynamical, transient, Bose-Einstein Condensation. The Section 5 will discuss results from other kinetic approaches. Finally the summary and some concluding remarks will be given in Section 6. ## 2 Pre-Equilibrium Evolution in Heavy Ion Collisions The pre-equilibrium evolution in a heavy ion collision is complicated and may involve a few stages, from the CGC [16, 17, 18, 19, 20, 21, 22, 23, 24], through an anisotropic strong field stage [25, 26], toward initial isotropization via instabilities of various kinds [27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53] till the time scale $\sim 1/Q_{\rm s}$ (up to factors logarithmic in coupling). These plasma instabilities are “triggered” by the very initial anisotropy and the rapid growth of unstable models frees up the quanta from classical fields and redistributes momentum among different directions thus bringing the system back to be near isotropy. From thereon the system could also be considered as a dense system of gluons that becomes amenable to kinetic evolution toward local equilibration based upon the Boltzmann transport approach [54, 55, 56, 57, 58, 59, 60, 32, 61, 62, 63, 64, 65, 66]. In this section, we will briefly discuss these different stages, some of the key issues, and various approaches (other than the kinetic one which will be the focus of the next two sections). ### 2.1 Pre-collision: the Color Glass Condensate Unlike the Big Bang, the one-shot start of our Universe, for which we can not know what preceded it, for the heavy ion collisions known as the Little Bang, we have a good understanding of the high energy nuclei coming into the collisions and we can have such collisions repeatedly in laboratories. As it turns out, the gluonic content of a nucleon or nucleus at very high energy enters the so-called saturation regime, described by the Color Glass Condensate effective theory (see reviews in e.g. [13, 21, 22, 23, 24]). To see how the saturation arises, consider the gluon distribution of a nucleon moving at extremely high energy $E=\sqrt{s}/2$ with respect to the lab frame. The extreme high energy brings in significant Lorentz dilation effect (with $\gamma=E/M$, $M$ the nucleon mass) on all the intrinsic time scales of the nucleon, in particular 1) the lifetime of a quantum fluctuation $\delta\tau\sim 1/\delta E\to\gamma\delta\tau$ from which all sea gluons (and quarks) originate, and 2) the time scale of interactions among all these valence and sea partons. Therefore when viewed at very high energy, the nucleon looks like a very dense system of nearly free “wee” partons. In addition, going to very high energy allows probing partons that carry very small fraction of longitudinal momentum of the nucleon $x=p_{z}/E\to 0$, i.e. the small-$x$ region of parton distributions. Measurements from Deep Inelastic Scatterings (e.g. at HERA [68]) have shown indeed that there is a very rapid growth of gluon numbers in the small-$x$ region that overwhelmingly dominates over all other parton species. So there is a very dense system of gluons emerging at small $x$ inside the high energy nucleon/nucleus. The growth of gluon numbers at small-$x$, however, can not continue forever. At high enough density of these gluons, the recombination starts to become important and ultimately brings such growth to stop at a maximal density $\sim 1/\alpha_{s}$, i.e. saturation. Suppose the gluon density (on the transverse plane of the highly contracted nucleon/nucleus) probed at given $x$ and transverse resolution scale $Q$ is $xG(x,Q^{2})$ then an intrinsic saturation scale $Q_{s}$ emerges and the onset of saturation, $xG/Q^{2}\to 1/\alpha_{s}$ happens for all scales $Q\leq Q_{s}$, with $\displaystyle Q_{s}^{2}\equiv\ \alpha_{s}\,xG(x,Q_{s}^{2})$ (1) This saturation scale changes with the nuclear size, $Q_{s}^{2}\sim A^{1/3}$, as well as with $x$, $Q_{s}^{2}\sim 1/x^{-0.3}$. Therefore for very large nucleus colliding at very high energy, the $Q_{s}$ becomes very large $Q_{s}\gg\Lambda_{QCD}$ thus allowing a weak-coupling based description of the saturated dense gluon system. Estimates suggest that $Q_{s}\sim 1-2\rm GeV$ for RHIC AuAu collisions and $Q_{s}\sim 2-3\rm GeV$ for LHC PbPb collisions. In the CGC description based on the McLerran-Venugopalan model [16, 17], one separates the fast and slow partons in the fast-moving nucleon with certain cutoff scale in longitudinal momentum. By virtue of Lorentz dilation the fast partons can be treated as approximately independent color sources with certain color charge distribution $\rho^{a}$ and only subject to local correlations. The slow partons (dominantly gluons) as a dense saturated system with the phase space density $f\sim xG/Q_{s}^{2}\sim 1/\alpha_{s}$ can then be treated as classical fields from solving Yang-Mills field equations with the presence of such color charge distribution. The cutoff dependence is governed by proper evolution equations. Of course, quantum fluctuations dictate that such source distribution $\rho^{a}$ differs in each collision event. So one needs to specify a whole ensemble of the charge density distribution based on certain probability distribution $W[\rho]$ (e.g. Guassian) together with the classical field configurations solved for each specific $\rho$. With this machinery, proper initial conditions from the colliding nuclei for the heavy ion collisions can be provided. Let us just emphasize two important features of the pre-collision color glass condensate: first, the emergence of an intrinsic scale, $Q_{s}$; second, the saturated phase space density $f\sim 1/\alpha_{s}$ for gluons seen at $Q<Q_{s}$. One may naturally imagine these two features being inherited by the very initial stage of the glasma, which is true albeit through a rather indirect way as we discuss next. ### 2.2 The initial Glasma fields, instability, and isotropization With the initial states of colliding nuclei described by the GCC framework, let us then examine the system in the collision zone just after collision ($\tau=0^{+}$). This can be done by numerically solving the Yang-Mills equations in the forward light-cone with the given sources in that collision, i.e. $\displaystyle[D_{\mu},F^{\mu\nu}]=J^{\nu}$ (2) with $J^{\nu}$ given by the fast moving color charge densities $\rho_{1,2}(x_{\perp})$ on the two light cones from the two initial nuclei. A striking finding is that the classical color fields are basically electric and magnetic fields in parallel to the collision beam axis (in $\hat{z}$ direction) with vanishing transverse components, i.e. ${\bf E}^{a}=E^{a}\hat{z}$ and ${\bf B}^{a}=B^{a}\hat{z}$, just like color flux tubes stretching between (random) color sources in the two sheets of nuclei moving apart from the collision point. The corresponding stress tensor associated with such field configurations takes the form $T^{\mu\nu}={\rm{diag}}(\epsilon,\epsilon,\epsilon,-\epsilon)$, i.e. with negative longitudinal pressure that is obviously far from a hydrodynamic form. So, the initial glasma fields are highly anisotropic. Such anisotropy however does not last for long, due to the instabilities [29, 30, 31, 39, 38, 40, 41, 48, 43]. The various plasma instabilities generically arise as a consequence of anisotropy and leads to exponential growth of modes that help restore the isotropy. In a sense, just like particle scatterings in a gas always tend to randomize and thus isotropize the momentum distribution, the classical fields have interactions built in and it is not surprising that the fluctuations on top of the fields “know” which direction to involve toward. The interesting feature, however, is the exponential behavior which is significantly more efficient than usual scattering processes. This has been quantitatively studied in several approaches, such as the semi-classical transport in the hard-loop framework [43, 44] or the classical-statistical lattice simulations of the field evolution [49, 50, 51, 52]. For simplicity let us take the classical-statistical field theory approach as the example here. On top of the purely longitudinal boost-invariant initial fields, one may introduce rapidity-dependent quantum fluctuations that evolve in the background initial fields. The solutions exhibit exponential growth of such fluctuations for characteristic modes (with $(\\#)\sim\hat{o}(1)$ constant) $\displaystyle\delta A\sim e^{(\\#)\,\sqrt{(\\#)\,Q_{s}\tau}}$ (3) This sets a limiting time scale at which the quantum fluctuations become as large as the initial background classic fields, i.e. $\delta A(\tau_{s})\to A_{0}\sim 1/g$: $\tau_{s}\sim(1/Q_{s})\,\ln^{2}(1/g)$. The evolution from the initial collision till this limiting time scale for instabilities is of course rather complicated, but is in principle computable with ab initio first- principle approach at sufficiently weak coupling. For the purpose of our discussions, let us just mention the following important features regarding the system at the time scale $\tau_{s}$: 1) as the result of (primary and secondary) instabilities, a wide range of modes, up to the order of saturation momentum, grow until reaching the saturated regime with non-perturbatively large occupation number $\sim 1/\alpha_{s}$ — this in a sense inherits the characteristics of the saturated initial gluon distribution in an indirect way; 2) the growth of these modes builds up the longitudinal pressure and isotropizes the stress tensor $T^{\mu\nu}={\rm{diag}}(\epsilon,P_{T},P_{T},P_{L})$ to the extent of possible remaining $\hat{o}(1)$ anisotropy between $P_{L}$ and $P_{T}$. ### 2.3 Field evolution from classical-statistical lattice simulations From this point on, i.e. $\tau>\tau_{s}\sim(1/Q_{s})\,\ln^{2}(1/g)$, the system becomes a very dense system of fluctuation modes (in the statistical- field language) or equivalently gluons (in the kinetic language) with high occupation $\sim 1/\alpha_{s}$. The initial high anisotropy in glasma fields has by now been reduced to be rather mild. Studies on the further evolution of such a system toward equilibration may be divided into two categories. One category deals with the system’s evolution in a fixed volume i.e. without expansion (which is often referred to as “static box case”). This is certainly of great theoretical interest and in fact quite challenging. For example, a final conclusion is yet to be achieved even regarding the seemingly simple parametric question of thermalization time $\tau_{\rm th}\sim\alpha_{s}^{(\\#?)}/Q_{s}$ in the static box case. The studies of static box case also provide extremely useful insights on the roles of various driving mechanisms toward thermalization. The other category deals with the evolution of the system undergoing boost-invariant longitudinal expansion (often referred to as “expanding case”), which is a more realistic setting relevant to heavy ion collisions. Both the static box case and the expanding case have been thoroughly studied using the classical-statistical lattice simulations, for the scalar field theories as well as the Yang-Mills theories: see e.g. most recent results in [50, 51, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 67] . Within this approach’s regime of validity i.e. weak coupling $\alpha_{s}\ll 1$ and high occupation $f\gg 1$, these studies have provided fairly detailed pictures of the field evolution, with the stress tensor components and spectrum of their correlators also evaluated. Among other interesting results, it was found that the evolution is characterized by a pair of dual cascades: the particle cascade toward the infrared modes, and the energy cascade toward the ultraviolet modes. On the ultraviolet end, the simulations running toward very large time (which implies very small coupling to ensure the validity of this approach at late time) appears to show the system’s evolution onto non-thermal fixed point with a self-similar form for which the scaling exponents could be understood via turbulent scaling arguments [77, 78, 79]. On the infrared end, simulations (for the scalar field case) starting with overpopulated initial conditions appear to show clear evidences [69, 71] for the onset of a dynamically formed out-of-equilibrium Bose-Einstein Condensate as predicted in [62, 63] . Let us discuss a little bit about the complications in the expanding case. In the static box case, there is a well-defined thermal fixed point to which the system will eventually equilibrate, and conservation laws (e.g. for energy, and for particle number in purely elastic case) are straightforward. When the system undergoes boost-invariant longitudinal expansion, the situation is quite different as strictly speaking there is no well-defined static thermal fixed point. Both the energy and the particle number are dropping with time due to expansion that dilutes the system. What’s more the expansion is constantly bringing the system out of isotropy, i.e. even if the system starts in an isotropic state it will quickly become anisotropic due to “shrinking of longitudinal momenta”. Note this is a dynamical issue quite separated and different from the high anisotropy from glasma fields in the very initial condition. If there is no interaction, then the system will continuously free- stream with less and less average longitudinal momentum compared with the transverse one, $\langle p^{2}_{L}\rangle\,\ll\,\langle p^{2}_{T}\rangle$. Of course interactions, e.g. scatterings, help re-distribute the momentum between the longitudinal and the transverse and try to restore isotropy to some extent. The issue is, whether the scatterings are strong enough to compete with the longitudinal expansion. It could be that the expansion wins and the system anisotropy constantly grows till falling apart [56, 57]. It could also be that the scatterings are able to keep the anisotropy below or at most of order one for a long time [62] . To complicate it further, how the energy density decreases with time depends on the degree of anisotropy, while on the other hand the energy density dictates the hard scale that would affect the efficiency of scatterings against expansion: so this is a highly dynamical, and nonlinear issue. Classical-statistical lattice simulations at extremely small coupling (e.g. $\alpha_{s}\sim 10^{-5}$) appear to suggest the scenario of growing anisotropy [77, 78, 79]. However while moving to the relatively larger coupling regime (e.g. $\alpha_{s}\sim 10^{-2}$) but still within the applicability of the approach, there appears to be a plausible transition to a different behavior of the evolution in which the pressure anisotropy is maintained at order one and able to be matched to viscous hydrodynamics [51] . At the moment a final conclusion is yet to be reached, and in particular a lot of future efforts will be required to push the classical field approach toward the physically more relevant regime (with $\alpha_{s}\sim 10^{-1}$) which is a highly nontrivial challenge. As a final comment, it seems quite clear that with the presence of longitudinal expansion, a full isotropization may never have been reached, and an anisotropy at least of order one may be present for a considerable window in the early time dynamics of heavy ion collisions. Such “fixed anisotropy” for microscopically long but macroscopically short time scale may provide an underlying basis for the recently developed anisotropic hydrodynamics (aHydro) [80, 81, 82, 83] framework that explicitly accounts for the sizable anisotropy at early times. ### 2.4 From classical fields to kinetic quanta From the discussions above it is clear that the classical field theory description, valid for large occupation number $f\gg 1$, will come to an end at some point as the occupation number $f$ of various modes decreases rapidly with time due to longitudinal expansion. This is of course the process of field decoherence that frees up individual gluons. A natural framework to describe the weakly coupled gluon system is the kinetic theory based on Boltzmann transport equation. In such an approach, one uses a distribution function $f(t,{\mathbf{x}},{\mathbf{p}})$ to effectively describe the system and dynamics (e.g. various scattering processes) enters via collision kernel ${\cal C}[f]$, and with provided an initial condition then it evolves via transport equation ${\cal D}_{t}f={\cal C}[f]$ in a definitive manner. The transport approach is good for weak coupling and not too large occupation, $\alpha_{s}\ll 1$ and $f\leq 1/\alpha_{s}$. A complete description of the glasma evolution at weak coupling shall plausibly involve a proper switch from the classical fields to the kinetic quanta. Many works [54, 55, 56, 57, 58, 59, 60, 32, 61, 62, 63, 64, 65, 66] have been done to study the pre- equilibrium evolution in the kinetic approach, which will be thoroughly discussed in the next two Sections. One may notice that there is an overlapping region for the validity of the classical field versus kinetic approaches: for occupation in the regime $1\ll f\leq 1/\alpha_{s}$, both descriptions are feasible, and therefore should be connected with each other. Indeed, the equivalence of the two has been demonstrated in various theories, see e.g. [84, 85, 60, 86]. Roughly speaking, the equation of motion for the Green’s function in classical field theory can be suitably mapped to the evolution equation for distribution function, with the interaction terms in the former becoming the collision terms in the transport equation. This is particularly interesting as one may expect dual descriptions in the two approaches for the same physical phenomenon occurring in their common valid regime. The kinetic approach can oftentimes help develop intuitive pictures for understanding results from classical field simulations. For example, the interesting turbulent scaling exponents from late time non- thermal fixed point found in classical field simulations could be easily understood via the pertinent kinetic description [77]. Another example is the occurrence of BEC starting with overpopulated initial condition, which was easier to be predicted first from the kinetic evolution [62], while less obvious in the classical field description. It is extremely useful to have such dual descriptions as an important tool to develop deeper understanding and have mutual confirmation for interesting results from each other. ### 2.5 Thermalization in strongly-coupled theories Finally let us also briefly discuss an “orthogonal” approach for understanding thermalization with strong coupling for the underlying microscopic theory. This is different from what has been discussed so far, where we consider the system to be weakly coupled but strongly interacting due to high phase space density. In strong coupling regime it is difficult to have a direct “attack”, and instead one utilizes the tool of gauge/gravity duality [87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100]. This holographic correspondence provides a powerful framework to study the evolution of 4-dimensional strongly coupled quantum fluid toward equilibration subject to varied far-from- equilibrium initial conditions, via solving 5-dimensional classical gravity problems. The time dependence of the 4-D theory is translated into the general relativity dynamics in the 5-D (asymptotically) AdS space with proper boundary conditions. Apart from the issue of to what extent such strongly coupled descriptions are applicable to the early time system in heavy ion collisions, these studies have certainly provided interesting insights into the far-from- equilibrium evolution in quantum field theories. Not being able to give a detailed discussion here on many interesting results from the holographic approach (which is not the primary focus of the present review), let us emphasize one particularly important point clearly demonstrated in such studies: by analyzing the evolution of the energy-momentum tensor one sees a viscous-hydrodynamic behavior that emerges quickly, well before the full equilibration, and upon the onset of such hydrodynamic regime the system still bears significant anisotropy between the longitudinal and transverse pressures. That is, an “apparent macroscopic thermalization” may occur long preceding the true and complete microscopic thermalization. ## 3 Kinetic Description of the Pre-Equilibrium Evolution We now turn to an elementary discussion on the kinetic description of the pre- equilibrium evolution, namely, a description based on the transport equation of gluons with various scattering processes. Standard textbooks for kinetic theory include [101, 102, 103]. As discussed previously, in heavy ion collisions gluons are freed at a time scale $t_{0}\sim Q_{s}^{-1}$, with momentum typically of order $Q_{s}$ and phase space occupation number of order $1/\alpha_{s}$. For large nuclei and/or high collision energies $Q_{s}\gg\Lambda_{QCD}$ so that $\alpha_{s}\ll 1$. After that (i.e., for $Q_{s}t>1$), one may then treat the gluons as on-shell quanta, and effectively describe the system with a phase space distribution function $\displaystyle f(t,{\mathbf{x}},{\mathbf{p}})\equiv\frac{(2\pi)^{3}}{N_{g}}\frac{dN}{d^{3}{\mathbf{x}}d^{3}{\mathbf{p}}},$ (4) where $N_{g}=2(N_{c}^{2}-1)=16$ is the gluon degeneracy. The kinetic evolution of $f(t,{\mathbf{x}},{\mathbf{p}})$ is described by the Boltzmann equation which schematically reads $\displaystyle{\cal D}_{t}f(t,{\mathbf{x}},{\mathbf{p}})={\cal C}[f],$ (5) where $\displaystyle{\cal D}_{t}f(t,{\mathbf{x}},{\mathbf{p}})\equiv\frac{p^{\mu}}{E_{p}}\partial_{\mu}f(t,{\mathbf{x}},{\mathbf{p}})=(\partial_{t}+{\bf v}_{p}\cdot\nabla_{\mathbf{x}})f(t,{\mathbf{x}},{\mathbf{p}})$ (6) with ${\bf v}_{p}\equiv{\mathbf{p}}/E_{p}$ being the velocity of gluon with momentum ${\mathbf{p}}$ and $E_{p}=|{\mathbf{p}}|$ the energy of the gluon. Note that on the left-hand side of the equation we have neglected the force term ${\bf F}\cdot\nabla_{\bf p}$ which need to be included if external color fields may be applied. In the following, unless explicitly stated, we will restrict ourselves to the spatially homogeneous systems so that $f$ has no ${\mathbf{x}}$ dependence and we can ignore the drift term ${\bf v}_{p}\cdot\nabla_{\mathbf{x}}f_{p}$ on the left-hand side of the equation. With the general structure of kinetic equation above, there are two important ingredients that govern the solutions to it: (1) the initial condition, i.e. the $f(t_{0},{\mathbf{x}},{\mathbf{p}})$ at initial time $t_{0}$; (2) the dynamics of the underlying microscopic theory, i.e. various collisional processes, that will enter through the collision kernel on the right hand side of the equation. Both play nontrivial roles in the evolution, as we shall see in later sections with more concrete examples. ### 3.1 Conservation laws The conservation laws play important roles in studies of kinetic evolution. These conservation laws originate from the conservation laws observed by the corresponding microscopic interactions. Let us discuss a number of such examples. First of all, let us consider the particle number conservation when there are only elastic scatterings, i.e. the collision term only has contributions from $m\to m$ processes. The number density is given by $n=\int d^{3}{\mathbf{p}}/(2\pi)^{3}f_{p}=\int_{{\mathbf{p}}}2E_{p}f_{p}$ where $f_{p}\equiv f(t,{\mathbf{p}})$ and $\displaystyle\int_{\mathbf{p}}$ $\displaystyle\equiv$ $\displaystyle\int\frac{d^{3}{\mathbf{p}}}{(2\pi)^{3}2E_{p}}.$ (7) Therefore the changing rate of number density is given by (considering all particles being bosons) $\displaystyle{\cal D}_{t}n=\int\frac{d^{3}{\mathbf{p}}_{1}}{(2\pi)^{3}}{\cal C}[f_{1}]\propto\int_{{1,2,...,m}}\int_{{m+1,m+2,...,2m}}|M_{m\rightarrow m}|^{2}\delta^{(4)}\left(\Sigma_{i=1}^{m}p_{i}-\Sigma_{j=m+1}^{2m}p_{j}\right)$ $\displaystyle\quad\times\\{[\Pi_{i=1}^{m}(1+f_{i})][\Pi_{j=m+1}^{2m}f_{j}]-[\Pi_{i=1}^{m}f_{i}][\Pi_{j=m+1}^{2m}(1+f_{j})]\\}\quad$ $\displaystyle\quad=0,$ (8) where the right hand side vanishes by symmetry (i.e. with the same number of particles in the initial and final states in the microscopic scatterings). Note also that ${\cal D}_{t}n=\partial_{\mu}\langle nu_{\mu}\rangle=\partial_{\mu}\int d^{3}{\mathbf{p}}/(2\pi)^{3}f_{p}u_{\mu}$ with $u_{\mu}=p_{\mu}/E_{p}$ the four-velocity. Now let us consider the energy-momentum conservation. The energy momentum tensor is given by $T^{\mu\nu}=\int_{{\mathbf{p}}}{p^{\mu}p^{\nu}}f_{p}$ and for generic $m\to n$ processes $\displaystyle\partial_{\mu}T^{\mu\nu}=\int\frac{d^{3}{\mathbf{p}}_{1}}{(2\pi)^{3}}p_{1}^{\nu}{\cal C}[f_{1}]\propto\int_{{1,...,m}}\int_{{m+1,...,m+n}}p_{1}^{\nu}|M_{m\rightarrow n}|^{2}\delta^{(4)}\left(\Sigma_{i=1}^{m}p_{i}-\Sigma_{j=m+1}^{m+n}p_{j}\right)$ $\displaystyle\quad\times\\{[\Pi_{i=1}^{m}(1+f_{i})][\Pi_{j=m+1}^{m+n}f_{j}]-[\Pi_{i=1}^{m}f_{i}][\Pi_{j=m+1}^{m+n}(1+f_{j})]\\}$ $\displaystyle\quad\propto\int_{{1,..,m}}\int_{{m+1,...,m+n}}|M_{m\rightarrow n}|^{2}(\Sigma_{i=1}^{m}p_{i}^{\nu}-\Sigma_{j=m+1}^{m+n}p_{j}^{\nu})\delta^{(4)}(\Sigma_{i=1}^{m}p_{i}-\Sigma_{j=m+1}^{m+n}p_{j})$ $\displaystyle\quad\times\\{[\Pi_{i=1}^{m}(1+f_{i})][\Pi_{j=m+1}^{m+n}f_{j}]-[\Pi_{i=1}^{m}f_{i}][\Pi_{j=m+1}^{m+n}(1+f_{j})]\\}$ $\displaystyle\quad=0,$ (9) where the right-hand side vanishes by the cyclic symmetry for re-labeling all particles and the microscopic conservation (via the delta function). If one considers homogeneous systems with the origin at the whole system’s center of mass (thus zero total momentum), then the energy conservation $\partial_{t}\epsilon=0$ and particle number conservation $\partial_{t}n=0$ (in the pure elastic case) are the two important global constraints. More directly relevant to application toward heavy ion collisions is the situation with boost-invariant longitudinal expansion. In that case, one has to take into account the drift term on the left-hand side (LHS), i.e. $\displaystyle{\cal D}_{t}f(t,{\mathbf{x}},{\mathbf{p}})=(\partial_{t}+v_{z}\partial_{z})f(t,z,{\mathbf{p}})={\cal C}[f].$ (10) By assuming boost-invariance $f(t,z,{\mathbf{p}})\to f(\tau,y-\eta,{\mathbf{p}}_{\perp})$ (where $y$ is momentum rapidity while $\eta$ the spatial rapidity) and by focusing on the system at mid-rapidity $\eta\to 0$ or $z\to 0$, one can simplify the above equation into the following form $\displaystyle{\cal D}_{t}f(t,{\mathbf{x}},{\mathbf{p}})=\left(\partial_{\tau}-\frac{p_{z}}{\tau}\partial_{p_{z}}\right)f(\tau,{\mathbf{p}})=\left(\partial_{t}-\frac{p_{z}}{t}\partial_{p_{z}}\right)f(t,{\mathbf{p}})={\cal C}[f].$ (11) We notice that the above kinetic equation can be rewritten as $\displaystyle\left(\partial_{t}-\frac{p_{z}}{t}\partial_{p_{z}}\right)f(t,{\mathbf{p}})=\frac{\partial(t\,f)}{t\partial_{t}}-\nabla_{{\mathbf{p}}}\cdot\left[\frac{p_{z}}{t}f\,\hat{z}\right].$ (12) By integrating the above equation one can easily get the corresponding version for the time evolution of number density $n$ and energy density $\epsilon$: $\displaystyle\partial_{t}n+n/t=0\quad\to\quad n=n_{0}\times\frac{t_{0}}{t}$ (13) $\displaystyle\partial_{t}\epsilon+(1+\delta)\epsilon/t=0\quad\to\quad\epsilon=\epsilon_{0}\times\left(\frac{t_{0}}{t}\right)^{1+\delta}$ (14) where $\delta=P_{L}/\epsilon$ is the ratio of longitudinal pressure to the energy density that characterizes the system’s degree of anisotropy: in isotropic case $\delta=1/3$ and $\epsilon\sim 1/t^{4/3}$ as in ideal hydrodynamics while in free-streaming case $\delta\to 0$ and $\epsilon\to 1/t$. ### 3.2 The elastic collision kernel The collision kernel ${\cal C}[f]$ controls the rate at which the gluons change their momentum state by collision processes. With gluon scatterings in QCD, the leading order contributions to ${\cal C}[f]$ consist of two essentially different processes, the elastic $2\rightarrow 2$ process to be discussed in this subsection, as well as the inelastic effective $1\rightarrow 2$ process to be discussed in the next subsection. Let us first look at the $2\rightarrow 2$ elastic collision kernel, given by $\displaystyle{\cal C}_{2\rightarrow 2}[f_{1}]$ $\displaystyle=$ $\displaystyle\frac{1}{2}\int_{234}\frac{1}{2E_{1}}|M_{12\rightarrow 34}|^{2}(2\pi)^{4}\delta^{(4)}(p_{1}+p_{2}-p_{3}-p_{4})$ (15) $\displaystyle\times[(1+f_{1})(1+f_{2})f_{3}f_{4}-f_{1}f_{2}(1+f_{3})(1+f_{4})].$ In Eq. (15), the factor $1/2$ in front of the integral is a symmetry factor, which takes into account the fact that exchanging the gluons 3 and 4 leads to identical configuration being doubly counted in both the matrix element and the full 3 and 4 momentum integration. The $(1+f_{i})$ factors represent the final state Bose enhancement arising from quantum nature which is vitally important when $f_{i}$ becomes large. In the dilute limit $f_{i}\ll 1$ then $(1+f_{i})\to 1$ reducing to the classical Boltzmann regime. $|M_{12\rightarrow 34}|^{2}$ is the $2\rightarrow 2$ matrix element (in the vacuum), $\displaystyle|M_{12\rightarrow 34}|^{2}$ $\displaystyle=$ $\displaystyle 8g^{4}N_{c}^{2}\left(3-\frac{tu}{s^{2}}-\frac{su}{t^{2}}-\frac{ts}{u^{2}}\right),$ (16) with $s,t,u$ the usual Mandelstam variables $\displaystyle s=(p_{1}+p_{2})^{2},\;\;t=(p_{1}-p_{3})^{2},\;\;u=(p_{1}-p_{4})^{2},$ (17) and $p_{i}=(E_{i},{\mathbf{p}}_{i})$. As is well known for Coulomb type long range interaction, the dominant contribution in the elastic collision integral comes from the small angle scatterings, where there is very small momentum transfer $q\ll p_{i}$ between the colliding gluons and the incoming states’ momenta get deflected only with small angles. This is evident from the matrix element $|M_{12\rightarrow 34}|^{2}$ with divergence in the $u$ and $t$ channels at $u\rightarrow 0$ or $t\rightarrow 0$ which ultimately lead to logarithmic contributions. Thus under the small angle approximation, the particle’s momentum receives a small but random deflection in each of a series of collisions and experiences a “random walk” in the momentum space. Following the Landau-Lifshitz approach [101], the Boltzmann equation with the $2\rightarrow 2$ collision kernel can then be reduced to a Fokker-Planck equation describing such momentum space diffusion, by rewriting ${\cal C}_{2\rightarrow 2}[f_{1}]$ as the divergence of a current ${\bf\cal J}({\mathbf{p}}_{1})$ in momentum space, $\displaystyle\partial_{t}f_{1}=-{\bm\nabla}_{1}\cdot{\bf\cal J}({\mathbf{p}}_{1}),$ (18) where $\nabla_{1}=\partial/\partial{\mathbf{p}}_{1}$. A standard calculation yields [62, 63] $\displaystyle{\bf\cal J}({\mathbf{p}})=-\frac{g^{4}N_{c}^{2}L}{8\pi^{3}}\left[I_{a}{\bm\nabla}f_{p}+I_{b}{\bf v}_{p}f_{p}(1+f_{p})\right].$ (19) Here $L=\int d|{\mathbf{q}}|/|{\mathbf{q}}|$ is the Coulomb logarithm which needs to be regularized by the medium screening effect, $L\sim\ln(q_{\rm max}/q_{\rm min})$ where ${q_{\rm max}}$ is typically of order of the hard scale of the problem (e.g., the temperature if equilibrium is achieved) and $q_{\rm min}$ is determined by the screening mass, $q_{\rm min}\sim m_{D}$ with $m_{D}$ the Debye screening mass, $m_{D}^{2}\sim\alpha_{s}\int d^{3}{\mathbf{p}}(f_{p}/E_{p})$. It shall be noted that the thermal fixed point of Eq.(18) is precisely the Bose-Einstein distribution $f_{\rm eq}({\mathbf{p}})=\frac{1}{\exp{[(E_{p}-\mu)/T}]-1}$. It is also straightforward to show that the derived elastic collision kernel on the right hand side of (18) conserves both particle number and energy. The two integrals $I_{a}$ and $I_{b}$ are defined as follows $\displaystyle I_{a}$ $\displaystyle\equiv$ $\displaystyle 2\pi^{2}\int\frac{d^{3}{\mathbf{p}}}{(2\pi)^{3}}f_{p}(1+f_{p}),$ (20) $\displaystyle I_{b}$ $\displaystyle\equiv$ $\displaystyle 2\pi^{2}\int\frac{d^{3}{\mathbf{p}}}{(2\pi)^{3}}\frac{2f_{p}}{E_{p}}.$ (21) The integral $I_{a}$ plays the role of a diffusion constant. For a gluon undergoing successive random small angle scatterings over a time window $t$, its momentum will undergo a random walk acquiring a total of final momentum square transfer $\langle\Delta p^{2}\rangle\sim\hat{q}_{\rm el}t$ where the parameter $\hat{q}_{\rm el}$ characterizes the momentum diffusion. The $\hat{q}_{\rm el}$ is relates to $I_{a}$ simply by (up to pre-factor in logarithm of $\alpha_{s}$) $\displaystyle\hat{q}_{\rm el}\sim\alpha_{s}^{2}I_{a}.$ (22) The integral $I_{b}$ is proportional to the Debye screening mass, $\displaystyle m^{2}_{D}\sim\alpha_{s}I_{b}.$ (23) To give concrete examples: in the thermal equilibrium with Bose-Einstein distribution, the two integrals become $I_{a}\sim T^{3}$ and $I_{b}\sim T^{2}$ and in fact $I_{a}=T\,I_{b}$; away from equilibrium this gets changed, e.g. in a glasma-type distribution with $f\sim 1/\alpha_{s}$ up to $Q_{s}$, one gets $I_{a}\sim Q_{s}^{3}/\alpha_{s}^{2}$ while $I_{b}\sim Q_{s}^{2}/\alpha_{s}$ with different power dependence on coupling. ### 3.3 The inelastic collision kernel We now turn to the inelastic collision kernel. The lowest-order inelastic process of gluon scatterings is the $2\rightarrow 3$ process which in naive power counting is $\alpha_{s}$ suppressed as compared with the elastic process. This however is rather tricky due to strong infrared divergences present in the corresponding matrix element. In fact, a careful analysis would reveal that its contribution to the collision kernel ${\cal C}[f]$ is at the same parametric order of coupling constant as the elastic process, due to the strong soft and collinear enhancement in the $2\rightarrow 3$ matrix element, as will become transparent later. In general, the $2\rightarrow 3$ collision kernel takes the following form: $\displaystyle{\cal C}_{2\rightarrow 3}[f_{1}]$ $\displaystyle=$ $\displaystyle{\cal C}^{a}_{2\rightarrow 3}[f_{1}]+{\cal C}_{2\rightarrow 3}^{b}[f_{1}],$ (24) $\displaystyle{\cal C}_{2\rightarrow 3}^{a}[f_{1}]$ $\displaystyle=$ $\displaystyle\frac{1}{6}\int_{2345}\frac{1}{2E_{1}}|M_{12\rightarrow 345}|^{2}(2\pi)^{4}\delta^{4}(p_{1}+p_{2}-p_{3}-p_{4}-p_{5})$ $\displaystyle\times[(1+f_{1})(1+f_{2})f_{3}f_{4}f_{5}-f_{1}f_{2}(1+f_{3})(1+f_{4})(1+f_{5})],$ $\displaystyle{\cal C}_{2\rightarrow 3}^{b}[f_{1}]$ $\displaystyle=$ $\displaystyle\frac{1}{4}\int_{2345}\frac{1}{2E_{1}}|M_{34\rightarrow 125}|^{2}(2\pi)^{4}\delta^{4}(p_{1}+p_{2}+p_{5}-p_{3}-p_{4})$ (25) $\displaystyle\times[(1+f_{1})(1+f_{2})(1+f_{5})f_{3}f_{4}-f_{1}f_{2}f_{5}(1+f_{3})(1+f_{4})].$ The two terms ${\cal C}^{a}$ and ${\cal C}^{b}$ differ in that the momentum $p_{1}$ (that one is “watching”) is on the two-particle side in the former while on the three-particle side in the latter. The general form of the leading-order $|M_{12\rightarrow 345}|^{2}$ is known [104, 105, 106]: $\displaystyle|M_{12\rightarrow 345}|^{2}$ $\displaystyle=$ $\displaystyle g^{6}N_{c}^{3}\frac{\cal N}{\cal D}[(12345)+(12354)+(12435)+(12453)+(12534)+(12543)$ (26) $\displaystyle+(13245)+(13254)+(13425)+(13524)+(14235)+(14325)],$ where $\displaystyle{\cal N}$ $\displaystyle=$ $\displaystyle(12)^{4}+(13)^{4}+(14)^{4}+(15)^{4}+(23)^{4}$ $\displaystyle+(24)^{4}+(25)^{4}+(34)^{4}+(35)^{4}+(45)^{4},$ $\displaystyle{\cal D}$ $\displaystyle=$ $\displaystyle(12)(13)(14)(15)(23)(24)(25)(34)(35)(45),$ $\displaystyle(ijklm)$ $\displaystyle=$ $\displaystyle(ij)(jk)(kl)(lm)(mi),$ $\displaystyle(ij)$ $\displaystyle\equiv$ $\displaystyle p_{i}\cdot p_{j}.$ Note that $|M_{12\rightarrow 345}|^{2}$ itself is completely symmetric in permutation of $p_{i}$. Like the $2\rightarrow 2$ matrix element $|M_{12\rightarrow 34}|^{2}$, the $2\rightarrow 3$ matrix element $|M_{12\rightarrow 345}|^{2}$ also contains the small angle singularity. In addition, it possesses a more severe IR singularity, the collinear singularity which occurs when the softest gluon of the five particles, say, gluon $5$ moves in a collinear way with one of the other gluons during either absorption or emission. The collinear singularity is also well known in perturbation theory, associated with the massless kinematics of gluons. By collecting the most singular contributions in $|M_{12\rightarrow 345}|^{2}$, one arrives at the Gunion-Bertsch formula (e.g. for the piece of $t$-channel and soft $p_{5}$) [107, 108, 109, 110, 64, 111]: $\displaystyle|M_{12\rightarrow 345}|_{\rm GB}^{2}$ $\displaystyle=$ $\displaystyle 16g^{6}N_{c}^{3}\frac{(p_{1}\cdot p_{2})^{3}}{(p_{1}\cdot p_{3})(p_{2}\cdot p_{4})(p_{1}\cdot p_{5})(p_{2}\cdot p_{5})}.$ (27) When applying the above (specific channel) Gunion-Bertsch formula to ${\cal C}_{2\rightarrow 3}^{a}$, one needs to multiply the kernel by a symmetry factor of $2\times 3=6$ to account for the other five identical contributions (from $u$-channel and soft $p_{3},p_{4}$ singularities). When applying it to ${\cal C}_{2\rightarrow 3}^{b}$, there is a symmetry factor of $2\times 2=4$ to take into account the other three identical contributions (with one factor $2$ from the degeneracy of $u,t$-channel, another factor $2$ from the degeneracy of soft $p_{2},p_{5}$). As a commonly adopted strategy, one needs to regularize various IR singularities that survive to the end results of the collision kernel, by appropriate medium screening mass as a IR cutoff in order to obtain finite results. It should also be noted that the GB approximation can be systematically extended by including less singular terms order by order through expanding the exact $|M_{12\rightarrow 345}|^{2}$ in $p_{5}/\sqrt{s}$ and $t/s$, see Ref. [112, 113, 111, 64] for details. Under the small angle and collinear approximations, the inelastic kernel can be much simplified. Physically there are two types of contributions that can be seen by examining the softest scale among the external gluons and the internal (exchanging) gluons, say, $q$ and $p_{5}$. If $p_{5}\ll q$, the $2\rightarrow 3$ process can be regarded as an effective $2\rightarrow 2$ process with a slight modification due to final state emission of a very soft gluon $p_{5}$. On the other hand, if $q\ll p_{5}$, the $2\rightarrow 3$ process can be considered as an effective $1\rightarrow 2$ process with one “hard” gluon getting a small “kick” and experiencing “bremsstrahlung”. With this in mind, an analytic inelastic kernel can be derived (see details in [64]) and the final result reads: $\displaystyle{\cal C}_{2\rightarrow 3}[f_{1}]$ $\displaystyle=$ $\displaystyle{\cal C}^{\rm eff}_{2\rightarrow 2}[f_{1}]+{\cal C}_{1\rightarrow 2}^{\rm eff}[f_{1}],$ (28) where $\displaystyle{\cal C}_{2\rightarrow 2}^{\rm eff}[f_{1}]$ $\displaystyle=$ $\displaystyle\frac{1}{2}\int_{234}\frac{1}{2E_{1}}|M_{12\rightarrow 34}|^{2}_{\rm eff}(2\pi)^{4}\delta^{(4)}(p_{1}+p_{2}-p_{3}-p_{4})$ (29) $\displaystyle\times[(1+f_{1})(1+f_{2})f_{3}f_{4}-f_{1}f_{2}(1+f_{3})(1+f_{4})],$ and $\displaystyle{\cal C}_{1\rightarrow 2}^{\rm eff}[f_{1}]$ $\displaystyle=$ $\displaystyle\int_{0}^{1}dz|M_{1\rightarrow 2}|^{2}_{\rm eff}\Big{\\{}\frac{1}{2}[g_{p_{1}}f_{(1-z){p_{1}}}f_{z{p_{1}}}-f_{p_{1}}g_{(1-z){p_{1}}}g_{z{p_{1}}}]$ (30) $\displaystyle+\frac{1}{z^{3}}[f_{p_{1}/z}g_{1}g_{(1-z){p_{1}}/z}-g_{p_{1}/z}f_{p_{1}}f_{(1-z){p_{1}}/z}]\Big{\\}}.$ In the above we have introduced $|M_{12\rightarrow 34}|^{2}_{\rm eff}={\cal D}(q)|M_{12\rightarrow 34}|^{2}$ and $|M_{1\rightarrow 2}|^{2}_{\rm eff}=\frac{6g^{6}N_{c}^{3}CQI_{a}}{(2\pi)^{5}}\frac{1}{z(1-z)}$ where $C=\int_{-1}^{1}dx/(1-x)$, $Q=\int dq/q^{3}$, and $\displaystyle{\cal D}(q)$ $\displaystyle=$ $\displaystyle\int_{k<q}\frac{2g^{2}N_{c}}{|{\mathbf{k}}|^{2}}\left[\frac{1+2f_{k}}{1-{\bf v}_{k}\cdot{\bf v}_{1}}+\frac{1+2f_{k}}{1-{\bf v}_{k}\cdot{\bf v}_{p}}\right].$ (31) Again, the IR divergence in $C$, $Q$ and ${\cal D}$ should be appropriately regularized by screening effects and up to the logarithm of $\alpha_{s}$ $\displaystyle C\sim 1,\;\;\;Q\sim 1/m_{D}^{2},$ (32) and ${\cal D}$ is at most $\hat{o}(1)$ order for $f\lesssim 1/\alpha_{s}$. Thus the main new, number-changing, contribution of the $2\rightarrow 3$ process to the collision kernel, is the effective splitting/joining $1\rightarrow 2$ kernel ${\cal C}_{1\rightarrow 2}^{\rm eff}$ which can be concisely written as follows by collecting all the order $\hat{o}(1)$ constants into a parameter $R$: $\displaystyle{\cal C}_{1\rightarrow 2}^{\rm eff}[f_{1}]$ $\displaystyle=$ $\displaystyle R\frac{\alpha_{s}^{3}I_{a}}{m_{D}^{2}}\int_{0}^{1}dz\frac{1}{z(1-z)}\Big{\\{}\frac{1}{2}[g_{p_{1}}f_{(1-z){p_{1}}}f_{z{p_{1}}}-f_{p_{1}}g_{(1-z){p_{1}}}g_{z{p_{1}}}]$ (33) $\displaystyle+\frac{1}{z^{3}}[f_{p_{1}/z}g_{1}g_{(1-z){p_{1}}/z}-g_{p_{1}/z}f_{p_{1}}f_{(1-z){p_{1}}/z}]\Big{\\}}.$ It is not difficult to see that: first, the thermal fixed point of Eq.(33) is the Bose-Einstein distribution with zero chemical potential $f_{\rm eq}({\mathbf{p}})=1/[\exp{(E_{p}/T)}-1]$; second, the kernel conserves energy while does not conserve particle number. Let us now examine the power counting and compare the elastic kernel (18) versus the inelastic kernel (33). By noting parametrically the $m_{D}^{2}\sim\alpha_{s}f^{2}$ one realizes that both kernels are at the same order. To be more concrete, let us examine both the thermal case and the highly off-equilibrium glasma case. In the thermal case, we have $f\sim 1$, $m_{D}^{2}\sim\alpha_{s}T^{2}$, $I_{a}\sim T^{3}$ and $I_{b}\sim T^{2}$: thus the collision rate for both types of processes are parametrically $\Gamma\sim\alpha_{s}^{2}T$. In the glasma case we have $f\sim 1/\alpha_{s}$ up to $Q_{s}$, $m_{D}^{2}\sim Q_{s}^{2}$, $I_{a}\sim Q_{s}^{3}/\alpha_{s}^{2}$ and $I_{b}\sim Q_{s}^{2}/\alpha_{s}$: thus the collision rate for both types of processes are parametrically $\Gamma\sim Q_{s}$. We therefore see that the two types of processes are indeed contributing to the kinetic evolution at the same parametric order, and hence both need to be included at this order. ### 3.4 Higher order kernels and the LPM suppression From last subsection, we have seen that the leading contribution from the the $2\rightarrow 3$ matrix element benefits from soft and collinear enhancement and becomes an effective $1\rightarrow 2$ process parametrically at the same order in $\alpha_{s}$ as the small-angle $2\rightarrow 2$ scattering. This contribution, essentially a bremsstrahlung process, may however bear further complication. Let us consider the emission of a soft gluon with momentum $p_{5}$ by a parent gluon upon one small “kick”. The emission needs a formation time $t_{\rm form}(p_{5})$ to be completed, though, and during that time it is likely the parent gluon may experience yet another “kick”: in fact this is inevitable if the formation time $t_{\rm form}(p_{5})$ becomes bigger than the “mean-free-path” of the parent gluon in the medium, and the emission is “blended” together with multiple scatterings. This is of course the well know and well studied Landau-Pomeranchuk-Migdal (LPM) effect [115, 116, 117] initially found in QED. A proper treatment requires resuming the $1+n\rightarrow 2+n$ ($n\geq 1$) multiple scatterings, and has been understood in the context of QCD particularly for the jet energy loss [118, 119, 120, 121, 122]. To take into account the LPM effect in the kinetic equation is a nontrivial task, and a thorough treatment in this aspect has been developed by Arnold, Moore and Yaffe [123, 124, 125, 126, 127, 128]. As a schematic approach, one can encode the LPM effect into the Boltzmann equation in the following way. Let the differential splitting/merging rate be $d\Gamma/dk$, then the $1\rightarrow 2$ collision kernel in the collinear limit would be $\displaystyle{\cal C}_{1\rightarrow 2}[f_{p}]\sim\int dk\frac{d\Gamma}{dk}\left[(g_{p}f_{p-k}f_{k}-f_{p}g_{p-k}g_{k})+\left(\frac{p+k}{p}\right)^{\eta}(g_{p}g_{k}f_{p+k}-f_{p}f_{k}g_{p+k})\right],$ where $p=|{\mathbf{p}}|,k=|{\mathbf{k}}|$, and ${\mathbf{k}}\parallel{\mathbf{p}}$. The parameter $\eta$ will be fixed by enforcing energy conservation to be preserved by the kernel. If the formation time $t_{\rm form}$ is shorter than the duration $t_{\rm el}$ between two successive elastic scatterings, the spitting/merging rate is of the Bethe- Heitler type which parametrically reads [129] $\displaystyle\frac{d\Gamma_{\rm BH}}{dk}\sim\frac{\alpha_{s}}{k}\Gamma_{\rm el}\sim\frac{\alpha_{s}}{k}\int_{pp^{\prime}}|M|^{2}_{2\rightarrow 2}f_{p}(1+f_{p^{\prime}})\sim\frac{\alpha_{s}}{k}\frac{\hat{q}_{\rm el}}{m_{D}^{2}},$ (35) where $\Gamma_{\rm el}$ is the rate of soft elastic scattering. Substituting this into Eq. (3.4), one arrives at a kernel bearing the structure of Eq. (33) for a single scattering case. On the other hand, if the formation time $t_{\rm form}$ is longer than $t_{\rm el}$, then the emission process cannot resolve individual collision and “feels” the coherent superposition of multiple scatterings during the formation time: in this case, one has $\Gamma_{\rm LPM}(k)\sim\alpha_{s}t_{\rm form}^{-1}(k)$. During this formation time, the emitted gluon obtains a transverse momentum $\Delta k_{\perp}\sim\sqrt{\hat{q}_{\rm el}t_{\rm form}}$ while its transverse size is $\Delta l_{\perp}\sim 1/\Delta k_{\perp}$ and its transverse velocity is $v_{\perp}\sim\Delta k_{\perp}/k$. For the emission to be completed, the emitted gluon must separate from its parent gluon, which implies the condition $\displaystyle t_{\rm form}\sim\frac{\Delta l_{\perp}}{v_{\perp}}\sim\frac{k}{\hat{q}_{\rm el}t_{\rm form}},$ (36) from which we obtain $t_{\rm form}(k)\sim\sqrt{k/\hat{q}_{\rm el}}$. Thus the LPM suppressed splitting/merging rate would have the form $\displaystyle\frac{d\Gamma_{\rm LPM}}{dk}\sim\frac{\alpha_{s}}{k}\sqrt{\frac{\hat{q}_{\rm el}}{k}}.$ (37) Substituting it into Eq. (3.4), one obtains the following form of the kernel at the end: $\displaystyle{\cal C}_{1\rightarrow 2}^{\rm LPM}[f_{p}]$ $\displaystyle\sim$ $\displaystyle\alpha_{s}^{2}\sqrt{\frac{I_{a}}{p}}\Big{\\{}\int_{0}^{1}\frac{dz}{z^{3/2}}[g_{p}f_{(1-z){p}}f_{z{p}}-f_{p}g_{(1-z){p}}g_{z{p}}]$ (38) $\displaystyle+\int_{0}^{1}\frac{dz}{z^{2}}\frac{1}{[z(1-z)]^{3/2}}[f_{p/z}g_{p}g_{(1-z){p}/z}-g_{p/z}f_{p}f_{(1-z){p}/z}]\Big{\\}}.$ Note that the LPM effect plays important role only when $t_{\rm form}(k)\gtrsim t_{\rm el}\sim m_{D}^{2}/\hat{q}_{\rm el}$, i.e, when $k$ is larger than $m_{D}^{4}/\hat{q}_{\rm el}$. It is clear the above kernel preserves a similar loss/gain structure to the kernel in Eq. (33), thus also having the same thermal fixed point. It is also at the same parametric order as (Eq. (33)) in coupling constant. ## 4 Kinetic Evolution in Overpopulated Regime and Possible Bose-Einstein Condensation in the Glasma With the kinetic framework set up in the previous Section, we now turn to discuss the application of this framework to the description of the kinetic evolution of the glasma that is pertinent to the early stage in heavy ion collisions. As already discussed previously, since the initial scale $Q_{s}$ in the glasma is large and thus the coupling is weak, the kinetic theory seems to be a natural and plausible framework to investigate the detailed evolution of the phase space distribution in the dense gluon system starting from the time scale $\sim 1/Q_{\rm s}$. Such efforts were initiated long ago [54, 55, 56, 57, 58, 59, 60, 61] and some of these will be discussed in the next Section. An apparent tension in such approaches exists in that in a naive counting the scattering rate (of leading elastic processes) $\sim\alpha_{s}^{2}$ may not be able to bring the system back to thermalization quickly enough. A number of past kinetic works suggest that the inelastic processes may play more significant role as compared with the elastic ones in speeding up the thermalization process, especially in populating the very soft momentum region. This may be true in the dilute regime (close to the Boltzmann limit), however may not be the accurate picture when the system under consideration is in the highly overpopulated regime with $f\sim 1/\alpha_{s}$. As shown in a number of recent kinetic studies [62, 63], the elastic scatterings with highly overpopulated initial conditions can lead to order $\sim{\alpha_{s}^{0}}$ evolution and develop strong infrared cascade with the Bose enhancement, and in fact may even induce a dynamical Bose- Einstein Condensation. In this Section we focus on discussing some of these most recent developments. ### 4.1 The highly overpopulated Glasma To see a few nontrivial features associated with high overpopulation, let us consider the kinetic evolution in a weakly coupled gluon system initially described by the following glasma-type distribution as inspired by the CGC picture: $\displaystyle f(p\leq Q_{\rm s})=f_{0}\quad,\quad f(p>Q_{\rm s})=0\,.$ (39) For the glasma in heavy ion collisions, the phase space is maximally filled: $f_{0}\sim 1/\alpha_{s}$ (with $\alpha_{\rm s}\ll 1$). As first emphasized in a recent paper [62], such high occupation coherently amplifies scattering and changes usual power counting of scattering rate: the resulting collision term from the $2\leftrightarrow 2$ gluon scattering process will scale as $\sim\alpha_{\rm s}^{2}f^{2}\sim\hat{o}(1)$ despite smallish $\alpha_{\rm s}$. This is a natural consequence of the essential Bose enhancement factor $(1+f)$ which would scale as $f$ in the dense regime while scale as $1$ in the dilute regime. It becomes more obvious if one examines the momentum diffusion parameter in Eq.(22): $I_{a}\sim\hat{o}(1/\alpha_{s}^{2})\,Q_{s}^{3}$ and $\hat{q}_{el}\sim\hat{o}(1)\,Q_{s}^{3}$, and therefore the time for order one change of typical momentum via scatterings scales as $\tau\sim\hat{o}(1)\,Q_{s}^{-1}$. With the coupling constant dropping out of the problem, the system behaves as an emergent strongly interacting matter, even though the elementary coupling is small. A novel finding [62, 63], hitherto unrealized, is that a system with such initial condition is highly overpopulated: that is, the gluon occupation number is parametrically large when compared to a system in thermal equilibrium with the same energy density. To illustrate this point, consider the energy and particle number densities with the initial distribution (39), we have $\displaystyle\epsilon_{0}=f_{0}\,\frac{Q_{s}^{4}}{8\pi^{2}},\qquad n_{0}=f_{0}\,\frac{Q_{s}^{3}}{6\pi^{2}},\qquad n_{0}\,\epsilon_{0}^{-3/4}=f_{0}^{1/4}\,\frac{2^{5/4}}{3\,\pi^{1/2}},$ (40) with $\epsilon_{0}$ and $n_{0}$ the initial energy density and number density, respectively. The energy is always conserved during the evolution while the particle number would also be conserved if only elastic scatterings are involved. The value of the parameter $n\,\epsilon^{-3/4}$ that corresponds to the onset of Bose-Einstein condensation, i.e., to an equilibrium state with vanishing chemical potential, is obtained by taking for $f(p)$ the ideal distribution for massless particles at temperature $T$. One gets then $\epsilon_{SB}=(\pi^{2}/30)\,T^{4}$ and $n_{SB}=(\zeta(3)/\pi^{2})\,T^{3}$, so that $\displaystyle n\,\epsilon^{-3/4}|_{SB}=\frac{30^{3/4}\,\zeta(3)}{\pi^{7/2}}\approx 0.28.$ (41) Comparing with $n_{0}\,\epsilon_{0}^{-3/4}$ in Eq. (40), one sees that when $f_{0}$ exceeds the value $f_{0}^{c}\approx 0.154$, the initial distribution (39) contains too many gluons to be accommodated in an equilibrium Bose- Einstein distribution, i.e. overpopulated: in this case the equilibrium state will have to contain a Bose-Einstein condensate if there are only elastic scatterings. It is worth emphasizing that over-occupation does not require necessarily large values of $f_{0}$, in fact the values just quoted are smaller than unity. It follows therefore that the situation of over-occupation will be met for generic values of $\alpha_{s}$. For instance, for $\alpha_{s}\simeq 0.3$, $f_{0}=1/\alpha_{s}$ is significantly larger than $f_{0}^{c}$ for a wide class of initial conditions (and even more so if the coupling is smaller). One though may also notice that in theories like QCD there are inelastic processes: this removes in principle the possibility of any condensate in the equilibrated state as the inelastic, number changing processes (no matter slow or fast) will eventually remove all the excessive particles. This however leaves open an even more interesting question: starting with overpopulated initial conditions, will the system dynamically evolve and develop a transient Bose-Einstein Condensate? We therefore see that a Bose system in highly overpopulated regime bears distinctive features that may play key roles in the glasma evolution, including the parametrically enhanced soft elastic scatterings with order one rate and the possibility of a transient Bose condensate during the course of thermalization. Significant interests and intensive investigations have been triggered recently in understanding such overpopulated regime with a variety of approaches [65, 66, 69, 70, 71, 72, 73, 74, 75, 76, 12, 130, 131]. There are strong evidences for Bose condensation reported for similar overpopulated systems in the classical-statistical lattice simulation of scalar field theory [69, 70, 71], with the case for non-Abelian gauge theory still under investigation [72, 73, 74, 75, 76]. In the rest of this Section, we will first discuss a number of interesting results on the kinetic evolution in such overpopulated systems, including the scaling solutions and the dynamical onset of kinetic BEC with the purely elastic scattering, and in the last part also discuss the effects of inelastic collisions. ### 4.2 The two scales and scaling solutions for elastic scattering To qualitatively describe the kinetic evolution, one may introduce two scales for characterizing a general distribution: a soft scale $\Lambda_{\rm s}$ below which the occupation reaches $f(p<\Lambda_{\rm s})\sim 1/\alpha_{\rm s}\gg 1$ and a hard cutoff scale $\Lambda$ beyond which the occupation is negligible $f(p>\Lambda)\ll 1$. For the glasma initial distribution in (39), there is essentially only one scale i.e. the saturation scale $Q_{\rm s}$ which divides the phase space into two regions, one with $f\gg 1$ and the other with $f\ll 1$, i.e. with the two scales overlapping $\Lambda_{\rm s}\sim\Lambda\sim Q_{\rm s}$. The thermalization is a process of maximizing the entropy (with the given amount of energy). The entropy density for an arbitrary distribution function is given by $s\sim\int d^{3}{\mathbf{p}}\left[(1+f)\,\ln(1+f)-f\,\ln(f)\right]$: this implies that with the total energy constrained, it is much more beneficial to have as wide as possible a phase space region with $f\sim 1$. Indeed, for a thermal Bose gas one has the soft scale $\Lambda_{\rm s}^{th}\sim\alpha_{\rm s}T$ and the hard scale $\Lambda^{th}\sim T$ separated by the coupling $\alpha_{\rm s}$. By this general argument, one shall expect the separation of the two scales along the thermalization process: from the $\Lambda_{s}\sim\Lambda$ in the initial glasma toward the $\Lambda^{th}_{s}\sim\alpha_{\rm s}\Lambda^{th}$ in the thermal situation. To be more quantitative, one may define the two scales $\Lambda$ and $\Lambda_{\rm s}$ as follows: $\displaystyle\Lambda\left({{\Lambda_{\rm s}}\over{\alpha_{\rm s}}}\right)^{2}\equiv I_{a}\quad$ , $\displaystyle\quad\Lambda\left({{\Lambda_{\rm s}}\over{\alpha_{\rm s}}}\right)\equiv I_{b}$ (42) $\displaystyle{\rm or}\;\;\;\;\;\;\;\Lambda=\frac{I_{b}^{2}}{I_{a}}\quad$ , $\displaystyle\quad\Lambda_{s}=\alpha_{s}\frac{I_{a}}{I_{b}}$ (43) With the above definition we indeed have $\Lambda_{\rm s}\sim\Lambda\sim Q_{\rm s}$ for the glasma distribution while $\Lambda_{\rm s}^{th}\sim\alpha_{\rm s}\Lambda^{th}\sim\alpha_{\rm s}T$ for thermal distribution. Again one can see that with the overpopulated glasma distribution the collision term ${\cal C}\sim\Lambda_{s}^{2}\Lambda\sim\hat{o}(1)$ in coupling, in contrast to the thermal case with ${\cal C}\sim{\Lambda^{th}_{s}}^{2}\Lambda^{th}\sim\hat{o}(\alpha_{s}^{2})$. Let us now discuss possible scaling solution for the evolution of the two scales in the static box case. With the glasma distribution the scattering time from the collision integral on the RHS of the transport equation (18) scales as $t_{\rm sca}\sim\Lambda/\Lambda_{\rm s}^{2}$. To find scaling solution for the time evolution of $\Lambda$ and $\Lambda_{s}$, we use two conditions — that the energy must be conserved and that the scattering time shall scale with the time itself, i.e.: $\displaystyle t_{\rm sca}\sim\frac{\Lambda}{\Lambda_{\rm s}^{2}}\sim t\quad,\quad\epsilon\sim\frac{\Lambda_{\rm s}\Lambda^{3}}{\alpha_{\rm s}}={\rm constant}$ (44) The particle number also must be conserved, albeit with a possible component in the condensate: $n=n_{g}+n_{c}\sim(\Lambda_{\rm s}\Lambda^{2}/\alpha_{\rm s})+n_{c}={\rm constant}$. The condensate plays a vital role with little contribution to energy while unlimited capacity to accommodate excessive gluons. With these two conditions we thus obtain: $\displaystyle\Lambda_{\rm s}\sim Q_{\rm s}\left(\frac{t_{0}}{t}\right)^{3/7}\quad,\quad\Lambda\sim Q_{\rm s}\left(\frac{t_{0}}{t}\right)^{-1/7}$ (45) From this solution, the gluon density $n_{g}$ decreases as $\sim(t_{0}/t)^{1/7}$, and therefore the condensate density is growing with time, $n_{c}\sim(Q_{\rm s}^{3}/\alpha_{\rm s})[1-(t_{0}/t)^{1/7}]$. A parametric thermalization time could be identified by the required $\Lambda_{\rm s}/\Lambda\sim\alpha_{\rm s}$: $\displaystyle t_{\rm th}\sim\frac{1}{Q_{\rm s}}\,\left(\frac{1}{\alpha_{\rm s}}\right)^{7/4}$ (46) At the same time scale the overpopulation parameter $n\epsilon^{-3/4}$ indeed also reduces from the initial value of order $\sim 1/\alpha_{s}^{1/4}$ to be of the order one. What would change if one considers the more realistic evolution with boost- invariant longitudinal expansion? First of all the conservation laws will be manifest differently: the total number density will decrease as $n\sim n_{0}t_{0}/t$, while the time-dependence of energy density depends upon the momentum space anisotropy $\epsilon\sim\epsilon_{0}(t_{0}/t)^{1+\delta}$ for a fixed anisotropy $\delta\equiv P_{L}/\epsilon$ (with $P_{L}$ the longitudinal pressure). Along similar line of analysis as before with the new condition of energy evolution we obtain the following scaling solution in the expanding case: $\displaystyle\Lambda_{\rm s}\sim Q_{\rm s}\left(t_{0}/t\right)^{(4+\delta)/7}\,,\,\Lambda\sim Q_{\rm s}\left(t_{0}/t\right)^{(1+2\delta)/7}\,.$ (47) With this solution, we see the gluon number density $n_{g}\sim(Q_{\rm s}^{3}/\alpha_{\rm s})(t_{0}/t)^{(6+5\delta)/7}$, and therefore with any $\delta>1/5$ the gluon density would drop faster than $\sim t_{0}/t$ and there will be formation of the condensate, i.e. $n_{c}\sim(Q_{\rm s}^{3}/\alpha_{\rm s})(t_{0}/t)[1-(t_{0}/t)^{(5\delta-1)/7}]$. Similarly a thermalization time scale can be identified through the separation of scales to be: $\displaystyle t_{\rm th}\sim\frac{1}{Q_{\rm s}}\,\left(\frac{1}{\alpha_{\rm s}}\right)^{7/(3-\delta)}\,.$ (48) The possibility of maintaining a fixed anisotropy during the glasma evolution is not obvious but quite plausible due to the large scattering rate $\sim\Lambda_{\rm s}^{2}/\Lambda\sim 1/t$ that is capable of competing with the $\sim 1/t$ expansion rate and may reach a dynamical balance. In such a scenario a complete isotropization may never be reached due to longitudinal expansion, while the system may yet evolve for a long time with a fixed anisotropy between average longitudinal and transverse momenta. ### 4.3 Dynamical onset of Bose-Einstein Condensation To more quantitatively understand the kinetic evolution of overpopulated glasma, one needs to numerically solve the transport equation which in the pure elastic case is given by Eqs.(18)(19). This has recently been reported in [63]. The solutions of course depend on the initial conditions. In general, one expects two types of solutions: evolution from underpopulated initial conditions leads at late time to a thermal Bose-Einstein distribution function; while evolution starting with overpopulated initial conditions shows a transition, in a finite time, to a Bose-Einstein condensate. If the initial distribution is specified as the glasma type in (39), then as discussed above, which solution occurs depends on whether $f_{0}$ is greater or smaller than the critical value $f_{0}^{c}$. For simplicity we focus our discussions here mostly on the static box case and will briefly comment on the expanding case at the end. So how does the thermalization proceed in such a system? Numerical solutions in both the underpopulated and the overpopulated cases suggest two generic features in the kinetic evolution driven by elastic scatterings. First, two cascades in momentum space will quickly develop: a particle cascade toward the IR momentum region that quickly populates the soft momentum modes to high occupation, and a energy cascade toward the UV momentum region that spreads the energy out. The two cascades are of course interrelated as per the particle number and energy conservation. This can be clearly seen by the plots of the momentum space current (19) for the underpopulated (Fig.1 right panel) as well as the overpopulated (Fig.2 right panel) cases: the negative current at low momenta is the IR cascade and the positive current at high momenta is the UV cascade. It worths emphasizing that the Bose statistical factors play a key role in the strong particle cascade toward IR, amplifying the rapid growth of the population of the soft modes. As a consequence a high occupation number at IR is quickly achieved, thus with very fast scattering rate, leads to the second interesting feature: an almost instantaneous local “equilibrium” form for the distribution near the origin $p\to 0$: $\displaystyle f^{*}(p\to 0)=\frac{1}{{\rm e}^{(p-\mu^{*})/T^{*}}-1},$ (49) Analytically this follows from the requirement that as long as the $f(p\to 0)$ is finite then the current (19) has to vanish linearly in $p$ toward the origin. This can be easily seen by integrating the transport equation (18) in an arbitrarily small sphere around the origin [63]. The quick emergence of such local IR thermal form has also been numerically verified in both the underpopulated (Fig.1 left panel) and the overpopulated (Fig.2 left panel) cases. Note that the $T^{*}$ and $\mu^{*}$ are only parameters characterizing the small momentum shape of the distribution and not to be confused with a true thermal temperature and chemical potential. Figure 1: The distribution function $f(p)$ (left) and the current ${\mathcal{J}}(p)$ (right) for various times, from an early time till the time where thermalization is nearly completed, starting with the underpopulated initial condition $f_{0}=0.1$. Figure 2: The distribution function $f(p)$ (left) and the current ${\mathcal{J}}(p)$ (right) for various times, from an early time till the time where thermalization is nearly completed, starting with the overpopulated initial condition $f_{0}=1$. The above picture naturally leads to the next question: how the local IR thermal form eventually evolves into the global thermal form? In the underpopulated case the answer is simple (as explicitly shown by numerical solutions [63]): the distribution will take time to adjust the whole distribution toward Bose-Einstein distribution (as the proper fixed point of the collision term), with the local parameters $T^{*}$ and $\mu^{*}$ approaching the final thermal $T$ and $\mu$ determined by energy and particle number conservation. In the overpopulated case, however, the condensate will need to be formed before the ultimate thermalization. As is well known in the kinetic study of BEC literature [132, 133], one has to separately describe the evolution prior to the onset of condensation (with the usual transport equation) and the evolution afterwards (with a coupled set of two equations explicitly for condensate and regular distribution). Of particular significance is to understand dynamically how and when the condensation occurs starting from an overpopulated initial condition. So here let us focus on the pre-BEC stage, and with the equations (18)(19), such question could be answered by numerically solving it till the time of BEC onset. In [63] this problem has been thoroughly studied with varied initial conditions and firm evidence has been found that initially overpopulated systems are driven by coherently amplified soft elastic scatterings to reach the onset of Bose-Einstein condensation in a finite time, approaching the onset with a scaling behavior. Different from the underpopulated case, in the overpopulated case the IR cascade persists to drive the local thermal distribution near $p=0$ to increase rapidly in a self-similar form (see Fig.2 left panel). The associated negative local “chemical potential” is driven to approach zero, i.e. $(-\mu^{*})\to 0^{+}$ (see Fig.3 left panel) and ultimately vanishes in a finite time, marking the onset of the condensation. The approaching toward onset is well described by a scaling behavior: $\displaystyle|\mu^{*}|=C(\tau_{c}-\tau)^{\eta}$ (50) with a universal exponent $\eta\approx 1$ for varied values of $f_{0}>f_{0}^{c}$. One may analytically show that the exponent is expected to be unity via similar scaling arguments used in the famous turbulent wave scaling analysis. The onset time $\tau_{c}$ and the coefficient $C$ is shown in Fig.3 (middle and right panels). Such evolution toward onset is robust against different initial distribution shapes, e.g. the same behavior was found with a Guassian initial distribution in the overpopulated regime. Figure 3: The approach of $\mu^{*}$ toward zero in a scaling way i.e. $\mu^{*}\approx C(\tau_{c}-\tau)$ (left panel) for a variety choice of $f_{0}$. One may further extract the value $\tau_{c}$ (middle panel) at which Bose condensation sets in (left panel) as well as the slope $C$ (right panel) as a function of $f_{0}$. These results, obtained by using kinetic theory, with a quantum Boltzmann equation in the small angle approximation, have therefore provided numerical evidence that a system of gluons with an initial distribution that mimic that expected in heavy ion collisions reaches the onset of Bose-Einstein condensation in a finite time. The role of Bose statistical factors in amplifying the rapid growth of the population of the soft modes is essential. With these factors properly taken into account, one finds that elastic scattering alone provides an efficient mechanism for populating soft modes, that could be competitive with the radiation mechanism invoked in the scenario of Ref. [56]. Ongoing efforts have extended studies of such kinetic evolution toward more general situations, including the effect of longitudinal expansion and possible initial momentum space anisotropy, as well as the effect of finite medium-generated mass. The general link from initial overpopulation to the onset of BEC in a finite time with a scaling behavior appears to be very robust. There is one particularly important issue, though. It is a prior unclear whether this picture of dynamics BEC onset will be significantly altered, should there be inelastic processes. One may even wonder if such onset (manifested as the development of an infrared singularity in the kinetic evolution) would happen anymore provided any inelastic processes could in principle remove excess particles from overpopulation. To answer this, one needs to study the kinetic evolution including both processes: a first attempt has been done, recently in [64], to be discussed in the next subsection. ### 4.4 The effects of inelastic processes As we have already seen in Sec. 3.3 and Sec. 3.4, the peculiar IR enhancement of the QCD makes the effective $1\rightarrow 2$ process be comparable to the $2\rightarrow 2$ process in the medium. One therefore needs to include both processes in the kinetic evolution. The inclusion of inelastic, number changing process has the immediate consequence that the ultimate thermal equilibrium state can not have any condensate: provided long enough time all excessive gluons can be removed. This however leaves the interesting question: what changes the inelastic collisions bring to the dynamical evolution of the system, and in particular, whether the elastic-driven dynamical onset of condensation from overpopulated initial conditions (as shown in the previous subsection) would still occur or not. To answer such question, an explicit evaluation including both elastic and inelastic collisions becomes mandatory. The key issue is the competition between the two kernels: the elastic that drives overpopulated system toward onset of condensation, while the inelastic that tends to reduce the total number density down toward the underpopulation. This problem has recently been addressed in [64], with surprising finding that is quite different from naive expectations. Figure 4: (Left)The distribution function $f(p)$ at different time moments. (Right) The occupation near zero momentum as a function of time for different values of parameter $R$. Starting from overpopulated initial condition in (39) and including both kernels (18)(33), one can numerically solve the kinetic equation: see [64] for detailed results and analysis. Let us just highlight the most interesting finding. There is one parameter $R$ that controls the relative strength between the two kernels. As shown in Fig. 4 (left panel), when the inelastic processes are turned on, the gluon distribution function at small $p$ region grows very fast (much faster than that with purely elastic process) and quickly becomes a local thermal form $f^{*}(p)=1/[e^{(p-\mu^{*})/T^{*}}-1]$ with the small $p$ part becoming steeper and steeper with time (meaning decreasing $|\mu^{*}|$). This IR evolution proceeds despite that the distribution in the wide range of larger momentum region is still far from equilibrium shape and despite that the overall particle number is indeed dropping. As a result, the rapid filling of IR modes is enhanced by the inelastic process and the onset of the BEC will occur faster than the purely elastic case. Furthermore as shown in Fig. 4 (right panel), the stronger (i.e., larger $R$) the inelastic kernel is, the faster the occupation at vanishing momentum will “explode” toward the onset of condensation. At first sight this may sound counter-intuitive. To better understand this IR local effect of the inelastic kernel, let us examine the low momentum behavior of the inelastic kernel: $\displaystyle{\cal C}^{\rm eff}_{1\leftrightarrow 2}(p\to 0)\to R\frac{I_{a}}{I_{b}}\left[A_{0}f_{0}(1+f_{0})+A_{1}f^{\prime}_{0}(1+2f_{0})\,p+\hat{O}(p^{2})\right],$ (51) where we have introduced the constants $\displaystyle A_{0}$ $\displaystyle=$ $\displaystyle\ln\frac{1}{1-z_{c}}+\frac{1}{6}\frac{z_{c}(11z_{c}^{2}-27z_{c}+18)}{(1-z_{c})^{3}},$ $\displaystyle A_{1}$ $\displaystyle=$ $\displaystyle\ln\frac{1}{1-z_{c}}-\frac{1}{12}\frac{z_{c}(25z_{c}^{3}-88z_{c}^{2}+108z_{c}-48)}{(1-z_{c})^{4}},$ (52) with $z_{c}$ is an upper cutoff for the integral over $z$. All these $A$’s are positive for $0<z_{c}<1$. Clearly for sufficiently small $p$ the leading term in the inelastic kernel $\sim Rf_{0}(1+f_{0})A_{0}$ is always positive and becomes bigger and bigger with increasing $f_{0}$ (which is a kind of “self- amplification”). This leads to extremely rapid growth of the particle number near $p=0$ and the effect becomes stronger with increasing values of $R$, which explains the behavior seen in Fig. 4. Physically this behavior may be understood in two ways. First note that the inelastic kernel has its fixed point to be $1/(e^{p/T}-1)$ which at small $p$ is $\sim 1/p$ so as long as $f(p=0)$ is finite yet the inelastic kernel will try to fill it up toward $1/p$. Second, this is also related to the quantum effect from Bosonic nature: if all involved particles are from small $p$, then the merging rate is like $\sim f_{0}^{2}(1+f_{0})$ while the splitting rate is like $\sim f_{0}(1+f_{0})^{2}$ so the splitting “wins” due to Bose enhancement for the final state and it increases particle number at small $p$. Our finding may sound counter-intuitive at first, as the usual conception would suggest that increasing the strength of the inelastic collisions tends to obstruct more effectively the formation of any condensate. It should however be emphasized that the evolution toward onset that has been studied thus far is not the end of the story. Our analysis addresses the evolution up to the onset of BEC while does not treat the evolution afterwards. As is well known in the BEC literature (see e.g. [132, 133]), in order to describe the kinetic evolution of the system with the presence of condensate, a new set of kinetic equations is needed for an explicit description of the coupled evolution for a condensate plus a regular distribution. Efforts are underway to derive these equations, and so far a kinetic study of the stage after BEC onset for the Glasma system has not been achieved to our best knowledge. However, it appears very plausible that the subsequent evolutions may develop as follows: immediately after onset, the strong IR flux will not cease right away but continue for a while and thus drive the condensate to grow in time; at certain point, the time would be long enough to allow the inelastic processes to decrease the total number density adequately and cause the condensate to decay thus decreasing in time; eventually the inelastic processes will be able to remove all excess gluons and lead to the thermal equilibrium state with neither condensate nor any chemical potential. While the detailed understanding of such dynamic processes can only be achieved through solving the new set of kinetic equations, one can reasonably expect that with increasing strength of the inelastic processes the whole evolution would be faster. Thus the following overall picture may likely be the case: with increasing strength, the inelastic processes on one hand catalyze the onset of condensation initially, while on the other hand eliminate the fully formed condensate faster, thus limiting the time duration for the presence of condensate to be shorter. A schematic picture of such conjectured full evolution is shown in Fig. 5, which is in line with the usual conception. It is worth mentioning that recent analysis in [134] has shown that the the $2\leftrightarrow 3$ inelastic cross section from exact matrix element becomes significantly smaller than that from the Gunion-Bertsch formula, and amounts to $\sim 20\%$ of the $2\leftrightarrow 2$ cross section. It therefore seems very plausible that a realistic choice of $R$ value would be rather modest, which may imply a considerable time window for the condensate to be sizable and play an important role for the evolution. A complete investigation of the evolution including the condensate will be an interesting problem to be pursued in the future. Figure 5: Conjectured evolution of the condensate with both elastic and inelastic processes. A final remark concerns the inclusion of quarks (and anti-quarks) into the kinetic evolution of the glasma. So far our discussions have included only gluons, while in reality the quarks and anti-quarks must be there. Even the starting glasma may be overwhelmingly gluonic, quarks and anti-quarks will surely be produced with time via e.g. gluon annihilations into $q\bar{q}$ pairs. The consequences of adding them are interesting to know. One important change is that the thermal state will have to include the gas of quarks and anti-quarks which change the composition and take a share of the total energy of the system: this will necessarily change the condition for the overpopulation. Another important change is that the individual number conservation for gluons is evaded even without going to higher order complicated multi-gluon scatterings: essentially quarks and gluons can mutually serve as sources via identity-changing processes. On the other hand, one may realize that fermions (subject to Pauli exclusion), unlike bosons, will contribute no more than order $\hat{o}(1)$ to the thermodynamic extensive quantities with each single flavor. Of course one might evade this by dialing large number of flavors, while in reality one has $N_{f}=3$ which is much smaller than $1/\alpha_{s}$ provided $\alpha_{s}$ is small. With these general considerations in mind, one may expect that starting with a pure-gluonic, highly-overpopulated initial condition, the gluons may still necessarily reach onset of condensation provided large enough overpopulation, despite that part of the gluons (about $\sim\hat{o}(N_{f})$ ) will be converted into quarks and anti-quarks. Regarding the dynamical evolution of the gluonic sector, one may anticipate a competition between the gluonic elastic scatterings (that drive toward condensation) and the gluon-to-quark conversions (that tend to reduce the gluon overpopulation). A nice and thoroughly quantitative study of this problem has been done very recently by Blaizot, Wu, and Yan [114] . With a set of kinetic equations that govern the evolution of distributions of both sectors and couple them together, they have found three distinctive behaviors in the solutions from different initial conditions: starting from sufficiently high initial overpopulation, the solution necessarily runs into onset of BEC; starting from initial occupation below certain threshold, the gluon-to-quark conversion is fast enough to completely avoid onset of BEC; while with initial occupation in between the previous two limits, the system reaches a thermal state without gluon condensate but along its evolution runs into a transient stage with gluon condensate. These interesting findings provide further non- trivial evidences for the robustness of the gluon elastic-scattering driven kinetic evolution from overpopulated initial condition toward the dynamical onset of condensation. ## 5 Discussions on other kinetic approaches While the previous Section has discussed the recent developments emphasizing the role of overpopulation and possible condensation phenomenon, in this Section we also give a brief survey of a number of other interesting studies on the thermalization process in the kinetic framework. ### 5.1 The “bottom-up” scenario A pioneering study in applying the kinetic framework to understand the thermalization in heavy ion collisions was done by Baier, Mueller, Schiff, and Son in [56], where the so-called “bottom-up” scenario was proposed. In this scenario, one considers a gluon system resulting from the collision between two very large nuclei at extremely high energy, which is approximately (i) homogeneous in the transverse plane (set as $x$ and $y$ directions), (ii) expanding along the beam direction (set as $z$ axis) in a boost-invariant way, and (iii) having an initial distribution that is highly occupied $f\sim 1/\alpha_{s}$ and dominated by “hard” gluons with momenta $p$ of the order saturation scale $Q_{s}\gg\Lambda_{\rm QCD}$ and thus $\alpha_{s}\ll 1$. The thermalization in this scenario is achieved through three stages. In the first stage, $1\ll Q_{s}t\ll\alpha_{s}^{-3/2}$, the longitudinal expansion dilutes the system and also anisotropizes the distribution according to $p_{x,y}\sim Q_{s}$, $p_{z}\sim Q_{s}/t$ if there were no interactions presented i.e. in free-streaming case. However the small-angle elastic scatterings between hard gluons weaken this anisotropization process via broadening $p_{z}$ at a rate $dp_{z}/dt\sim\hat{q}_{\rm el}/p_{z}$ and as a result the longitudinal momentum is diluted at a slower rate, $p_{z}\sim Q_{s}(Q_{s}t)^{-1/3}$. In this case the hard gluon distribution evolves like $f_{h}\sim\alpha_{s}^{-1}(Q_{s}t)^{-2/3}$. The soft gluons are generated by soft splitting induced by small angle collisions between hard gluons. Once generated, they also “suffer” from dilution due to expansion. The combination of these two effects gives the evolution of the soft gluon distribution like $f_{s}\sim\alpha_{s}^{-1}(Q_{s}t)^{-1/3}$ (while overall this whole stage the number density of soft gluons $N_{s}$ is still much lower than that of hard gluons $N_{h}$ because they occupy much smaller phase space). At the moment $Q_{s}t\sim\alpha_{s}^{-3/2}$ the hard gluon distribution $f_{h}$ drops from the order $1/\alpha_{s}$ initially to the order one by dilution and the system proceeds to the second stage. In the second stage, the hard sector of the system becomes underpopulated and the hard gluons continue to split into softer ones via inelastic scatterings. The system builds up two scales: one is the hard scale $Q_{s}$, and the other is the soft scale $k_{s}\sim\sqrt{\alpha_{s}}Q_{s}$ determined by the screening mass $m_{D}$ as well as the hard collision rate. The number density of hard gluons continues to drop mainly due to the longitudinal expansion, $N_{h}\sim(Q_{s}^{3}/\alpha_{s})(Q_{s}t)^{-1}$, while the number density of the soft gluons decreases more slowly by virtue of the generation from hard gluon splittings, $N_{s}\sim\alpha_{s}^{1/4}Q_{s}^{3}(Q_{s}t)^{-1/2}$. The distribution of the soft gluons evolves according to $f_{s}\sim\alpha_{s}^{-5/4}(Q_{s}t)^{-1/2}$ which becomes order $1$ at the time $Q_{s}t\sim\alpha_{s}^{-5/2}$. After that moment, the system evolves into the third stage. In the third stage, the soft sector becomes dominant over the hard one while the occupation in both regimes drops below order one. The soft gluons collide frequently and they can isotropize and thermalize fast with small angle scatterings. These then form a “thermal bath” with a characteristic temperature $T$ which initially (at the moment $Q_{s}t\sim\alpha_{s}^{-5/2}$) is $T\sim k_{s}$. The hard gluons behave like “jets” with energy $Q_{s}$ propagating through this thermal bath and constantly loose their energy into the latter. Therefore the energy is transferred from the hard to soft sector via the LPM-suppressed splitting upon multiple scatterings. The scatterings between the hard gluons themselves are rare due to already low phase space density and can be neglected. Thus the splitting rate is $t_{\rm split}^{-1}\sim\alpha_{s}\sqrt{\hat{q}_{\rm el}/k_{\rm split}}$ where $k_{\rm split}$ is the momentum of the emitted gluon and $\hat{q}_{\rm el}\sim\alpha_{s}^{2}T^{3}$. The temperature of the soft bath increases until the hard gluons loose all of their energy, which happens when $k_{\rm split}\sim Q_{s}$. At this point the system is nearly thermalized. By equating $t_{\rm split}$ with $t$ and imposing the energy conservation condition $T^{4}\sim Q_{s}^{4}/[\alpha_{s}(Q_{s}t)]$, one arrives at a thermalizatoin time $Q_{s}t_{\rm th}\sim\alpha_{s}^{-13/5}$ and an equilibrium temperature $T_{\rm eq}\sim\alpha_{s}^{2/5}Q_{s}$. In the “bottom-up” scenario, the overall picture is that soft modes (which can be easily thermalized) will be filed up by hard gluon bremsstrahlung and thermalize first, which then further drains the energy from the hard gluons and make them thermalized, thus the thermalization proceeds from bottom to top in energy scale. We note this scenario differs in two main points from the mostly elastic-driven scenario discussed in the previous Section: first, the elastic scatterings alone are extremely efficient in developing a strong IR flux and provide a mechanism of quickly filling up soft modes, which is absent in the “bottom-up” scenario; second, (at least in the static box case) the elastic scatterings also drive a strong UV energy cascade to adjust and thermalize the high momentum tail beyond $Q_{s}$ scale (a region not discussed in the “bottom-up” which may be justified due to expansion) — how such elastic-driven UV cascade may change by expansion remains to be understood. ### 5.2 Instability modified “bottom-up” approach Shortly after the development of the “bottom-up” scenario, it was realized that there may be complication in the reasoning. This is related to the delicate role of momentum space anisotropy, induced by longitudinal expansion. When the momentum distribution becomes anisotropic, a mechanism completely different from usual scatterings, namely the “plasma instability”, will occur and play important role. To see that, one may examine the one-loop self-energy tensor $\Pi^{\mu\nu}(\omega,{\mathbf{k}})$ in a medium with momentum anisotropy, and in turn the effective propagator of soft gluons is also anisotropic. As it turns out, the dispersion relation obtained from this effective propagator contains branches with negative mass square, or ${\rm{Im}}(\omega({\mathbf{k}}))>0$ for certain soft momentum region. This implies that such soft modes become unstable and their occupation would grow exponentially. As was first emphasized by Mrowczynski and studied in many later papers [28, 29, 30, 36, 37], the particularly important instability is the non-Abelian equivalence of the Weibel instability [27]. As a result of such instabilities, a set of chromo-magnetic modes at scale $k_{\rm inst}$ will exponentially grow to be strong and subsequently diffuse the momenta of hard gluons via Lorentz force to drive the system toward isotropization and thermalizaton. Shortly after the “bottom-up” scenario, Arnold, Lenaghan, and Moore [32] argued that the plasma instability could be a more efficient mechanism for filling up soft modes and for isotropizing momentum distribution at least for the first stage of the “bottom-up” scenario and can lead to a faster thermalization at time $Q_{s}t\sim\alpha_{s}^{-5/2}$. The roles of plasma instabilities have subsequently been thoroughly analyzed by analytical method [46], modified kinetic approaches [58, 59, 60, 35], classical field simulations [39, 38, 41, 40], hybrid approaches [44, 45, 34, 42, 47], etc. More recently Kurkela and Moore [65, 66, 75, 67] has carefully analyzed again the roles of plasma instability versus scatterings, particularly in the longitudinally expanding case. An interesting new feature they proposed is that the plasma instability is not only important at the very early stage but may also dominate the thermalization dynamics in all the three stages of the “bottom-up” scenario. In the first stage, $1\ll Q_{s}t\ll\alpha_{s}^{-8/7}$, the occupancy of both hard and soft gluons decrease and the expansion causes the anisotropy to increase as a function of time, $\langle p_{z}\rangle/\langle p_{\perp}\rangle\sim(Q_{s}t)^{-1/8}(Q_{s}/p)^{2/3}$. However, the instability causes very fast isotropization for gluons with $p<k_{\rm iso}\sim(Q_{s}t)^{-3/16}Q_{s}$ and in more infrared region $p<p_{\rm max}\sim(Q_{s}t)^{-1/4}Q_{s}$ the distribution quickly forms a thermal-like tail which evolves like $f(p)\sim\alpha_{s}^{-1}(Q_{s}t)^{-7/8}(Q_{s}/p)$. In the second stages, $\alpha_{s}^{-8/7}\ll Q_{s}t\ll\alpha_{s}^{-12/5}$, the system is highly anisotropic but the hard modes are underpopulated. The hard gluons begin to emit daughter gluons and the anisotropy of hard modes “propagates” into the soft region. The plasma instability driven by the anisotropy from these emitted gluons is argued to dominate and control the evolution of $k_{\rm iso}$ as well as $p_{\rm max}$. At the moment $Q_{s}t\sim\alpha_{s}^{-56/25}$, $f(p_{\rm max})$ drops to $\sim 1$ and the soft sector now forms a nearly-thermal bath with temperature $T\sim p_{\rm max}$. This soft bath does not dominate either energy or scattering at this stage, but it grows to be more and more important and eventually begins to dominate the physics at $Q_{s}t\sim\alpha_{s}^{-12/5}$. Then the system enters the third stage $\alpha_{s}^{-12/5}\ll Q_{s}t\ll\alpha_{s}^{-5/2}$. In this stage, the soft sector (which is weakly anisotropic as a result of expansion as well as anisotropy passed along from hard gluon splittings) and the resulting plasma instabilities control the broadening of the hard primary gluons. The instabilities give $\hat{q}_{\rm inst}\sim\alpha_{s}^{3}Q_{s}^{3}$ (see [65, 66]) and thus the splitting scale is given by $k_{\rm split}\sim\alpha_{s}^{2}\hat{q}_{\rm inst}t^{2}$. Combining this with the energy conservation condition and letting $k_{\rm split}\sim Q_{s}$ (when the energy cascade stops), one arrives at a thermalization time $Q_{s}t_{\rm th}\sim\alpha_{s}^{-5/2}$ and equilibrium temperature scale $T_{\rm eq}\sim\alpha_{s}^{3/8}Q_{s}$. In general, the instabilities would be present due to the inevitable anisotropy brought by the longitudinal expansion and play a role in the IR filing and isotropization. Whether they play a dominant role as compared with various other driving mechanisms, remains to be sorted out. ### 5.3 The BAMPS approach Quantitative simulations on how the inelastic processes contribute to the thermalization of the gluon system have been carried out by Xu, Greiner and collaborators within the BAMPS (for Boltzmann Approach to MultiParton Scatterings) model [61, 109, 135, 136, 137]. BAMPS is a microscopic transport model based on the kinetic equation Eq. (5) for on-shell partons with the collision kernel including both the $2\rightarrow 2$ elastic and the $2\rightarrow 3$ inelastic processes. The main feature of BAMPS is based on the stochastic interpretation of the transition rates which ensure full detailed balance for $2\rightarrow 3$ scatterings. BAMPS subdivides space into small cells in which the transition rates are calculated and the gluon distribution function $f(t,{\mathbf{p}},{\mathbf{x}})$ is then extracted [61]. In BAMPS framework, the matrix elements Eq. (16) for elastic $2\rightarrow 2$ process and Gunion-Bertsch formula Eq. (27) for inelastic $2\rightarrow 3$ process are used while all the infrared divergences due to small-angle and soft collinear singularities are regularized by introducing the Debye screening mass $m_{D}$ as an infrared cutoff. This Debye mass is calculated locally in space and is an angle-averaged one so that it is always positive even for anisotropic distribution and no instabilities would be present. The LPM effect is approximately encoded in BAMPS by introducing an infrared cutoff to the transverse momentum $k_{\perp}$ of the emitted gluon which is determined by requiring the formation time of the emitted gluon to be smaller than the gluon in-medium mean-free path [138, 139]. The simulation results of BAMPS have clearly shown the important contribution of the inelastic processes in filling up the infrared modes and in speeding up the system’s evolution toward equilibrium. Different initial conditions, both wounded-nucleons initial condition and CGC-inspired initial condition, have been explored and it has been found that the thermalization time is relatively insensitive to such different choices: for either initial condition, for coupling constant $\alpha_{s}\sim 0.3$, the gluons in the central region of the collision can be effectively isotropized and kinetically thermalized at a time on the order $t_{\rm eq}\sim 1$ fm. One nontrivial feature found in the BAMPS simulation with the CGC-inspired initial condition is that the soft and hard gluons appear to thermalize at almost the same time scale $Q_{s}t_{\rm eq}\sim[\alpha_{s}(\ln\alpha_{s})]^{-2}$ in contrast to the “bottom-up” scenario in which the thermalization first occurs in the IR region and proceeds up to the UV region. It would be of great interest to utilize the BAMPS framework and explore the kinetic evolution incorporating full quantum Bose statistics (beyond the classical Boltzmann limit) with overpopulated initial conditions. In particular, it is tempting to see whether a condensation phenomenon may occur or not. For more direct applications to heavy ion collision phenomenology, one may explore within such comprehensive simulation framework the full physical evolution from the initial condition through the thermalization toward the dynamical evolution in the thermal QGP stage, as has been explored in the BAMPS framework as well as in other new transport framework recently developed in e.g.[140]. ### 5.4 Turbulent thermalization and non-thermal fixed point As already discussed in Section 2, the classical-statistical lattice simulations provide a first-principle method to explore the thermalization process in the weak coupling and high occupancy limit. Many studies have been done in this framework with a lot of interesting results found [77, 78, 60, 141, 142, 143, 73, 50, 76, 144]. A very interesting recent finding in [77, 78] is that in the simulation for Yang-Mills gauge theory with very small coupling $\alpha_{s}\sim 10^{-4}$ (which allows exploring late time behavior within the classical-statistical framework) and for both the non-expanding and longitudinally expanding cases, the system, after a short transient regime, exhibits universal self-similar scaling solutions with wave turbulence characteristic. As previously discussed, the classical-statistical lattice method and the kinetic method have an overlap in the range of validity for occupation $1\ll f\ll 1/\alpha_{s}$. With such interesting self-similar solutions found directly from real-time lattice situations [77, 78], it is tempting to see whether such solutions could at least be approximately explained in the more intuitive kinetic picture with microscopic scatterings as scaling solutions to the transport equation. In fact, similar turbulent cascade and self-similar evolutions were found in scalar field theory studies in the context of early universe evolution [145, 146] where the appearance of the wave turbulence corresponds to a self-similar non-thermal fixed-point solution of the kinetic equation. Following a similar strategy, the authors of [77, 78] has indeed shown that the self-similar solutions found from simulations can be well approximated by solutions from a kinetic theory of the Fokker-Planck type. To see that, let us for a moment neglect the inelastic processes and examine a kinetic equation of the structure given in Eq. (18). In the non-expanding case, it is straightforward to show that the equation allows a scaling solution of the general form $f(t,{\mathbf{p}})=(Q_{s}t)^{\alpha}f_{S}((Q_{s}t)^{\beta}{\mathbf{p}})$ provided two conditions: the stationary function $f_{S}({\mathbf{p}})$ satisfying $\alpha f_{S}({\mathbf{p}})+\beta{\mathbf{p}}\cdot\nabla_{\mathbf{p}}f_{S}({\mathbf{p}})+Q_{s}^{-1}\nabla_{\mathbf{p}}\cdot{\bf\cal J}[f_{S}({\mathbf{p}})]=0$, and the scaling parameters satisfying a relation $\alpha-1=3\alpha-\beta$. Furthermore, the energy conservation implies an additional relation, $\alpha=4\beta$. Combining these two relations, one obtains $\alpha=-4/7$ and $\beta=-1/7$, which turn out to nicely reproduce the exponents extracted from their classical-statistical simulations. In the expanding case, the analysis is less straightforward due to the expansion and the competing effect of scatterings in kinetic theory. Since such self-similar solution emerges at relatively later time in the evolution, the system becomes much diluter and the effect of scatterings may be plausibly approximated by pure elastic momentum broadening in the $z$ (beam) direction, ${\cal C}[f]=\hat{q}_{\rm el}\partial^{2}_{p_{z}}f$ with $\hat{q}_{\rm el}$ given by Eq. (22). Such a highly simplified Boltzmann equation $[\partial_{t}-(p_{z}/t)\partial_{p_{z}}]f={\cal C}[f]$ does allow a scaling solution of the form $f(t,{\mathbf{p}}_{\perp},p_{z})=(Q_{s}t)^{\alpha}f_{S}((Q_{s}t)^{\beta}{\mathbf{p}}_{\perp},(Q_{s}t)^{\gamma}p_{z})$ with the scaling parameters satisfying $2\alpha-2\beta+\gamma+1=0$. Furthermore when the system becomes diluter at late time, its evolution may approach free-streaming case, with the energy and particle number densities both dropping as $\sim 1/t$. Under such assumptions, one arrives at the solution with exponents $\alpha=-2/3,\beta=0,\gamma=1/3$. As the authors [77, 78] have shown, these scaling parameters obtained in the kinetic equation are in surprisingly excellent agreement with the self-similar behavior seen in their classical-statistical simulations. It has also been numerically checked that with the given coupling constant regime such self-similar evolution is insensitive to the initial condition and at very late time it approaches toward the original “bottom-up” scenario. In general, the appearance of the non-thermal fixed point will delay the thermalization of the system toward the true thermal fixed point. It is worth commenting on the roles of the very small value of coupling used in these studies: technically it allows the classical field approach to be a better controlled approximation with much longer evolution time; physically it opens a very wide window for the occupation (in the kinetic picture) in between the saturated limit $f\sim 1/\alpha_{s}$ and the quantum limit $f\sim 1$, likely maximizing the manifestation of nonlinear effects such as turbulent cascade. These findings are extremely interesting, and leave open a number of questions to be explored further, in particular, what change may happen to this scenario when one gradually moves toward the coupling constant regime $\alpha_{s}\sim 10^{-1}$ that may be more directly relevant to the glasma in heavy ion collisions. ## 6 Summary In summary, we have given a brief review of the thermalization problem in heavy ion collisions, with emphasis on recent progress in understanding the kinetic evolution of the glasma. A short discussion has been given on the general context of the thermalization problem and a number of approaches other than the kinetic one. We have then provide an elementary introduction on the transport framework to be used for describing the pre-equilibrium evolution, including both the elastic and inelastic collisions. Recent interesting developments on the kinetic evolution in the overpopulated regime, as in the case for the glasma, and the possibility of dynamical Bose-Einstein Condensation in such system, have been discussed in details. Finally a number of other approaches within the kinetic framework have been surveyed. Though there have been a lot of interesting developments and some nontrivial ideas in the last few years, it may be fair to say that we are still far from a detailed understanding of the kinetic evolution for the pre-equilibrium stage in heavy ion collisions. For the kinetic approach in the overpopulated regime, a number of pressing issues need to be understood, including the co- evolution of the condensate and regular distribution (after the onset of condensate), the far-from-equilibrium medium effects (e.g. the dressing of internal/external gluons involved in a scattering), the roles of higher order processes, etc. It is also of great importance to further explore the relation (the overlap in their applicability and their complementarity) between the kinetic description and the classical field description, in particular how certain behavior (e.g. condensation and turbulent scaling) observed in one description would be manifested in the other description. Toward more phenomenological end, it is crucial to implement and investigate the effects of longitudinal expansion as well as the roles of anisotropy (both that from initial condition and that dynamically generated from expansion). It is also highly interesting to study the kinetic evolution with more realistic transverse distributions e.g. by introducing transverse-position dependent initial conditions (via saturation scale) which would allow determining possible early transverse flow generation. The condensate, if formed, would play nontrivial roles in many aspects of phenomenology from pA to AA collisions, as explored by a number recent studies along this direction [147, 148, 149, 150], and there are certainly many more possibilities to be fully investigated. Let us end with a discussion on the interesting evolution of the very conception of the problem itself. The initially perceived “thermalization” problem , as the name suggests it, has the implicit picture of two distinctive stages: a pre-thermal stage with the system evolving to a (relatively) complete local thermalization (and of course isotropization) and a thermal stage which then expands in a nearly ideal hydrodynamic fashion, with the switch between the two stages at rather early time $\sim 1$ fm/c. This was largely motivated by the phenomenological success of the ideal hydrodynamic simulations at the early RHIC era (see the nice discussion in the recent review article [14]), along with the conventional wisdom that the applicability of hydrodynamics requires local thermal equilibration. However there has been no direct evidence for full thermalization (and not even for isotropization). In fact, the later developments of viscous hydrodynamic studies have demonstrated that even with extremely small dissipation (i.e. $\eta/s$ close to the conjectured lower bound) the stress tensor bears sizable anisotropy between longitudinal/transverse pressures over several fm/c time window [14]. There have also been interesting works from both strong coupling approach (via the holographic models) [95, 96] and weak coupling approach (via real time lattice simulations) [51] that show the emergence of (viscous)hydrodynamic behaviors without reaching either isotropization or full thermalization. To add to the complications, most recent experimental measurements of high multiplicity pPb collisions at LHC and dAu collisions at RHIC show very interesting patterns in the soft particle productions and correlations, which seem to be accountable by collective expansions akin to viscous hydrodynamic simulations applied to such systems much smaller in size and much shorter-lived in time as compared with the bulk matter in AA collisions [151] (noting though whether this is indeed so is still under intensive debate [152, 153, 154, 155] and subject to conclusion in the future). All these may call for a change in our very identification of the “thermalization” problem, splitting into two closely related but clearly different aspects: theoretically how and when a full thermalization is achieved in a quark-gluon system starting with initial conditions close to that in the heavy ion collisions; phenomenologically, how and when an apparent hydrodynamic behavior emerges from the pertinent initial conditions and how far one can push the limit (e.g. in the system size, in the anisotropy, in the dissipation, in the microscopic coupling, etc) for the system to stay amenable to a collective expansion. It will require significant future efforts to fully explore both of these issues and make progress in understanding the “thermalization” problem. ## Acknowledgements The authors are grateful to J. Berges, J.-P. Blaizot, F. Gelis, L. McLerran, R. Venugopalan, Q. Wang, B. Wu, Z. Xu, and P. Zhuang for discussions and communications. 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arxiv-papers
2014-02-23T04:57:42
2024-09-04T02:49:58.654177
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Xu-Guang Huang, Jinfeng Liao", "submitter": "Xu-Guang Huang", "url": "https://arxiv.org/abs/1402.5578" }
1402.5605
# On the Dirichlet problem associated with Dunkl Laplacian Ben Chrouda Mohamed High Institute of Informatics and Mathematics 5000 Monastir, Tunisia E-mail: [email protected] ###### Abstract This paper is devoted to the study of the Dirichlet problem associated with the Dunkl Laplacian $\Delta_{k}$. We establish, under some condition on a bounded domain $D$ of $\mathbb{R}^{d}$, the existence of a unique continuous function $h$ on $\mathbb{R}^{d}$ such that $\Delta_{k}h=0$ on $D$ and $h=f$ on $\mathbb{R}^{d}\setminus D$ the complement of $D$ in $\mathbb{R}^{d}$, where the function $f$ is asumed to be continuous. We also give an analytic formula characterizing the solution $h$. ## 1 Introduction Let $R$ be a root system in $\mathbb{R}^{d}$, $d\geq 1$, and we fix a positive subsystem $R_{+}$ of $R$ and a nonnegative multiplicity function $k:R\to\mathbb{R}_{+}$. For every $\alpha\in R$, let $H_{\alpha}$ be the hyperplane orthogonal to $\alpha$ and $\sigma_{\alpha}$ be the reflection with respect to $H_{\alpha}$, that is, for every $x\in\mathbb{R}^{d}$, $\sigma_{\alpha}x=x-2\frac{\langle x,\alpha\rangle}{|\alpha|^{2}}\alpha$ where $\langle\cdot,\cdot\rangle$ denotes the Euclidean inner product of $\mathbb{R}^{d}$. The Dunkl Laplacian $\Delta_{k}$ is defined [3], for $f\in C^{2}(\mathbb{R}^{d})$, by $\Delta_{k}f(x)=\Delta f(x)+2\sum_{\alpha\in R_{+}}k(\alpha)\left(\frac{\langle\nabla f(x),\alpha\rangle}{\langle\alpha,x\rangle}-\frac{|\alpha|^{2}}{2}\frac{f(x)-f(\sigma_{\alpha}x)}{\langle\alpha,x\rangle^{2}}\right),$ where $\nabla$ denotes the gradient on $\mathbb{R}^{d}$. Obviously, $\Delta_{k}=\Delta$ when $k\equiv 0$. Given a bounded open subset $D$ of $\mathbb{R}^{d}$, we consider the following Dirichlet problem : $\displaystyle\left\\{\begin{array}[]{rcll}\Delta_{k}h&=&0&\mbox{on }\;D,\\\ h&=&f&\mbox{on }\;\mathbb{R}^{d}\setminus D,\end{array}\right.$ (1) where $f$ is a continuous function on $\mathbb{R}^{d}\setminus D$. When $D$ is invariant under all reflections $\sigma_{\alpha}$, it was shown in [1], using probabilistic tools from potential theory, that there exists a unique continuous function $h$ on $\mathbb{R}^{d}$, twice differentiable on $D$ and such that both equations in (1) are pointwise fulfilled. In this paper, we shall investigate problem (1) for a bounded domain $D$ which is not invariant. Let $D$ be a bounded open set such that its closure $\overline{D}$ is in some Domain of $\mathbb{R}^{d}\setminus\cup_{\alpha\in R_{+}}H_{\alpha}$. We mean by a solution of problem (1), every function $h:\mathbb{R}^{d}\to\mathbb{R}$ which is continuous on $\mathbb{R}^{d}$ such that $h=f$ on $\mathbb{R}^{d}\setminus D$ and $\int_{\mathbb{R}^{d}}h(x)\Delta_{k}\varphi(x)w_{k}(x)dx=0\quad\textrm{ for every }\;\varphi\in C^{\infty}_{c}(D),$ where $C^{\infty}_{c}(D)$ denotes the space of infinitely differentiable functions on $D$ with compact support and $w_{k}$ is the invariant weight function defined on $\mathbb{R}^{d}$ by $w_{k}(x)=\prod_{\alpha\in R_{+}}\langle x,\alpha\rangle^{2k(\alpha)}.$ The set $D$ is called $\Delta_{k}$-regular if, for every continuous function $f$ on $\mathbb{R}^{d}\setminus D$, problem (1) admits one and only one solution; this solution will be denoted by $H_{D}^{\Delta_{k}}f$. By transforming problem (1) to a boundary value problem associated with Schrödinger’s operator $\Delta-q$, we show that $D$ is $\Delta_{k}$-regular provided it is $\Delta$-regular. We also give an analytic formula characterizing the solution $H_{D}^{\Delta_{k}}f$ (see Theorem 1 below). We derive from this formula that, for every $x\in D$, $H_{D}^{\Delta_{k}}f(x)$ depends only on the values of $f$ on $\cup_{\alpha\in R_{+}}\sigma_{\alpha}(D)$ and on $\partial D$ the Euclidean boundary of $D$. If, in addition, we assume that $f$ is locally Hölder continuous on $\cup_{\alpha\in R_{+}}\sigma(D)$ then $H_{D}^{\Delta_{k}}f$ is continuously twice differentiable on $D$ and therefore the first equation in (1) is fulfilled by $H_{D}^{\Delta_{k}}f$ not only in the sense of distributions but also pointwise. It was shown in [5, 6] that the operator $\Delta_{k}$ is hypoelliptic on all invariant open subset $D$ of $\mathbb{R}^{d}$. However, if $D$ is not invariant, the question whether $\Delta_{k}$ is hypoelliptic on $D$ or not remaind open. For $\Delta_{k}$-regular open set $D$, we show that if $D$ is not invariant then $\Delta_{k}$ is not hypoelliptic in $D$. Hence the condition ” $D$ is invariant” is necessary and sufficient for the hypoellipticity of $\Delta_{k}$ on $D$. ## 2 Main results We first present various facts on the Dirichlet boundary value problem associated with Schrödinger’s operator which are needed for our approach. We refer to [2, 4] for details. Let $G$ be the Green function on $\mathbb{R}^{d}$, but without the constant factors : $G(x,y)=\left\\{\begin{array}[]{ll}|x-y|^{2-d}&\hbox{if}\;d\geq 3;\\\ \ln\frac{1}{|x-y|}&\hbox{if}\;d=2;\\\ |x-y|&\hbox{if}\;d=1.\end{array}\right.$ Let $D$ be a bounded domain of $\mathbb{R}^{d}$ and let $q\in J(D)$ the Kato class on $D$, i.e., $q$ is a Borel measurable function on $\mathbb{R}^{d}$ such that $G(1_{D}|q|)$ the Green potential of $1_{D}|q|$ is continuous on $\mathbb{R}^{d}$. Note that the Kato class $J(D)$ contains all bounded Borel measurable functions on $D$. Assume that $D$ is $\Delta$-regular. Then, for every continuous function $f$ on $\partial D$, there exists a unique continuous function $h$ on $\overline{D}$ such that $h=f$ on $\partial D$ and $\int h(x)(\Delta-q)\varphi(x)dx=0\quad\textrm{ for every}\;\varphi\in C^{\infty}_{c}(D).$ (2) In the sequel, we denote $H_{D}^{\Delta-q}f$ the unique continuous extension on $\overline{D}$ of $f$ which satisfies the Schrödinger’s equation (2). Let $G_{D}^{\Delta}$ and $G_{D}^{\Delta-q}$ denotes, respectively, the Green potential operator in $D$ of $\Delta$ and $\Delta-q$. The operator $G_{D}^{\Delta-q}$ acts as a right inverse of the Schrödinger’s operator $-(\Delta-q)$, i.e., for every Borel bounded function $g$ on $D$, we have $\int G_{D}^{\Delta-q}g(x)(\Delta-q)\varphi(x)dx=-\int g(x)\varphi(x)dx\quad\textrm{ for every}\;\varphi\in C^{\infty}_{c}(D).$ Then the unique continuous function $h$ on $\overline{D}$ such that $h=f$ on $\partial D$ and $\int h(x)(\Delta-q)\varphi(x)dx=-\int g(x)\varphi(x)dx\quad\textrm{ for every}\;\varphi\in C^{\infty}_{c}(D)$ (3) is given, for $x\in D$, by $h(x)=H_{D}^{\Delta-q}f(x)+G_{D}^{\Delta-q}g(x).$ (4) The function $G_{D}^{\Delta-q}g$ is continuous on $\overline{D}$, vanishing on $\mathbb{R}^{d}\setminus D$ and, for every $x\in D$, $G_{D}^{\Delta-q}g(x)=G_{D}^{\Delta}g(x)-G_{D}^{\Delta}(qG_{D}^{\Delta-q}g)(x).$ (5) Moreover, if, in addition, we assume that $q\in C^{\infty}(D)$ then, proceeding by induction, it follows from (5) that $G_{D}^{\Delta-q}g\in C^{n}(D)$ if and only if $G_{D}^{\Delta}g\in C^{n}(D),\;n\in\mathbb{N}$. Now we are ready to establish our first main result giving a characterization of solutions of the Dirichlet boundary value problem associated with the Dunkl Laplacian $\Delta_{k}$. ###### Theorem 1. Let $D$ be a bounded open set such that $\overline{D}$ is in some Domain of $\mathbb{R}^{d}\setminus\cup_{\alpha\in R_{+}}H_{\alpha}$. If $D$ is $\Delta$-regular then $D$ is $\Delta_{k}$-regular. Moreover, for every continuous function $f$ on $\mathbb{R}^{d}\setminus D$ and for every $x\in D$, $H_{D}^{\Delta_{k}}f(x)=\frac{1}{\sqrt{w_{k}(x)}}\left(H_{D}^{\Delta-q}(f\sqrt{w_{k}})(x)+G_{D}^{\Delta-q}\left(\sqrt{w_{k}}Nf\right)(x)\right),$ (6) where $q$ and $Nf$ are the functions defined, for $x\in D$, by $q(x):=\sum_{\alpha\in R_{+}}\left(\frac{|\alpha|k(\alpha)}{\langle x,\alpha\rangle}\right)^{2}$ and $Nf(x):=\sum_{\alpha\in R_{+}}\frac{|\alpha|^{2}k(\alpha)}{\langle x,\alpha\rangle^{2}}f(\sigma_{\alpha}x).$ ###### Proof. Let $f$ be a continuous function on $\mathbb{R}^{d}\setminus D$. We intend to prove existence and uniqueness of a continuous function $h$ on $D$ such that $h=f$ on $\mathbb{R}^{d}\setminus D$ and $\int h(x)\Delta_{k}\varphi(x)w_{k}(x)dx=0\quad\textrm{ for every}\;\varphi\in C^{\infty}_{c}(D).$ (7) It is clear that $\nabla\left(\sqrt{w_{k}}\right)(x)=\sqrt{w_{k}(x)}\sum_{\alpha\in R_{+}}\frac{k(\alpha)}{\langle x,\alpha\rangle}\alpha.$ Then, using the fact that [3] $\sum_{\alpha,\beta\in R_{+}}k(\alpha)k(\beta)\frac{\langle\alpha,\beta\rangle}{\langle x,\alpha\rangle\;\langle x,\beta\rangle}=\sum_{\alpha\in R_{+}}\frac{|\alpha|^{2}k^{2}(\alpha)}{\langle x,\alpha\rangle^{2}},$ direct computation shows that $\Delta\left(\sqrt{w_{k}}\right)(x)=\sqrt{w_{k}(x)}\sum_{\alpha\in R_{+}}|\alpha|^{2}\frac{k^{2}(\alpha)-k(\alpha)}{\langle x,\alpha\rangle^{2}}.$ Thus, for every $\varphi\in C^{\infty}_{c}(D)$, $\displaystyle\Delta\left(\varphi\sqrt{w_{k}}\right)(x)$ $\displaystyle=$ $\displaystyle\sqrt{w_{k}(x)}\left(\Delta\varphi(x)+2\sum_{\alpha\in R_{+}}k(\alpha)\left(\frac{\langle\nabla\varphi(x),\alpha\rangle}{\langle\alpha,x\rangle}-\frac{|\alpha|^{2}}{2}\frac{\varphi(x)}{\langle\alpha,x\rangle^{2}}\right)\right)$ $\displaystyle+\;q(x)\varphi(x)\sqrt{w_{k}(x)},$ and thereby $\sqrt{w_{k}(x)}\Delta_{k}\varphi(x)=\left(\Delta\left(\varphi\sqrt{w_{k}}\right)(x)-q(x)\varphi(x)\sqrt{w_{k}(x)}\right)+\sqrt{w_{k}(x)}N\varphi(x).$ (8) Since the map $\varphi\to\varphi\sqrt{w_{k}}$ is invertible on the space $C^{\infty}_{c}(D)$ and the function $x\to\frac{w_{k}(x)}{\langle x,\alpha\rangle^{2}}$ is invariant under the reflection $\sigma_{\alpha}$, equation (7) is equivalent to the following Schrödinger’s equation : For every $\psi\in C^{\infty}_{c}(D)$, $\int h(x)\sqrt{w_{k}(x)}\left(\Delta-q\right)\psi(x)dx=-\int\sqrt{w_{k}(x)}Nf(x)\psi(x)dx.$ Finally, since $q$ is bounded on $D$ and therefore is in $J(D)$, the statements follow from (3) and (4). ∎ To construct a $\Delta$-regular set $D$, it suffices to choose $D$ such that its Euclidean boundary $\partial D$ satisfies the the geometric assumption known as ” cone condition”, i.e., for every $z\in\partial D$ there exists a cone $C$ of vertex $z$ such that $C\cap B(z,r)\subset\mathbb{R}^{d}\setminus D$ for some $r>0$, where $B(z,r)$ is the ball of center $z$ and radius $r$ (see, for example, [4]). ###### Remark 2. Note that, in order to obtain $q\in J(D)$, the hypothesis of the above theorem ”$\overline{D}\subset\mathbb{R}^{d}\setminus\cup_{\alpha\in R_{+}}H_{\alpha}$” is nearly optimal. Indeed, assume that there exists a cone $C_{z}$ of vertex $z\in\overline{D}\cap H_{\alpha}$ for some $\alpha\in R_{+}$ with $k(\alpha)\neq 0$ such that $C_{z}^{r}:=C_{z}\cap B(z,r)\subset D$ for some $r>0$. Then, $\displaystyle G(1_{D}q)(z)$ $\displaystyle\geq$ $\displaystyle|\alpha|^{2}k^{2}(\alpha)\int_{C_{z}^{r}}G(z,y)\frac{1}{\langle y,\alpha\rangle^{2}}dy$ $\displaystyle=$ $\displaystyle|\alpha|^{2}k^{2}(\alpha)\int_{C_{z}^{r}}G(z,y)\frac{1}{\langle z-y,\alpha\rangle^{2}}dy$ $\displaystyle\geq$ $\displaystyle k^{2}(\alpha)\int_{C_{z}^{r}-z}G(0,y)\frac{1}{|y|^{2}}dy$ $\displaystyle=$ $\displaystyle\infty.$ It is easy to see that for every $x\in D$ the map $f\to H_{D}^{\Delta_{k}}f(x)$ defines a positive Radon measure on $\mathbb{R}^{d}\setminus D$. We denote this measure by $H_{D}^{\Delta_{k}}(x,dy)$. The following results are obtained in a convenient way by using formula (6) of the above theorem. ###### Corollary 3. For every $x\in D$, $H_{D}^{\Delta_{k}}(x,dy)$ is a probability measure supported by $\partial D\cup\left(\cup_{\alpha\in R_{+}}\sigma_{\alpha}(D)\right)$ and satisfies $\frac{\sqrt{w_{k}(x)}}{\sqrt{w_{k}(y)}}H_{D}^{\Delta_{k}}(x,dy)=H_{D}^{\Delta-q}(x,dy)+\sum_{\alpha\in R_{+}}\frac{|\alpha|^{2}k(\alpha)}{\langle y,\alpha\rangle^{2}}G_{D}^{\Delta-q}(x,\sigma_{\alpha}y)dy.$ ###### Corollary 4. Let $D$ be a $\Delta$-regular bounded open set such that $\overline{D}$ is in some Domain of $\mathbb{R}^{d}\setminus\cup_{\alpha\in R_{+}}H_{\alpha}$. Let $f$ be a continuous function on $\partial D\cup\left(\cup_{\alpha\in R_{+}}\sigma_{\alpha}(D)\right)$. If $f$ is locally Hölder continuous on $\cup_{\alpha\in R_{+}}\sigma(D)$ then $H_{D}^{\Delta_{k}}f\in C^{2}(D)$ and, for every $x\in D$, $\Delta_{k}\left(H_{D}^{\Delta_{k}}f\right)(x)=0.$ ###### Proof. Since $H_{D}^{\Delta-q}(f\sqrt{w_{k}})$ is a solution of the Schrödinger’s equation (2), the hypoellipticity of the operator $\Delta-q$ on $D$ implies that $H_{D}^{\Delta-q}(f\sqrt{w_{k}})\in C^{\infty}(D)$. Moreover, since $Nf$ is locally Hölder continuous on $D$, $G_{D}^{\Delta}\left(\sqrt{w_{k}}Nf\right)\in C^{2}(D)$ and consequently $G_{D}^{\Delta-q}\left(\sqrt{w_{k}}Nf\right)\in C^{2}(D)$. Then it follows from (6) that $H_{D}^{\Delta_{k}}f\in C^{2}(D)$. For every $\varphi\in C^{\infty}_{c}(D)$, direct computation using (8) yields $\int\Delta_{k}\left(H_{D}^{\Delta_{k}}f\right)(x)\varphi(x)w_{k}(x)dx=\int H_{D}^{\Delta_{k}}f(x)\Delta_{k}\varphi(x)w_{k}(x)dx.$ This completes the proof. ∎ Let $D$ be an open subset of $\mathbb{R}^{d}$. The operator $\Delta_{k}$ is said to be hypoelliptic on $D$ if, for every $f\in C^{\infty}(D)$, every continuous function $h$ on $\mathbb{R}^{d}$ which satisfies $\int_{\mathbb{R}^{d}}h(x)\Delta_{k}\varphi(x)w_{k}(x)dx=\int f(x)\varphi(x)w_{k}(x)dx\quad\textrm{ for every }\;\varphi\in C^{\infty}_{c}(D)$ is infinitely differentiable on $D$. We note that the problem of the hypoellipticity of $\Delta_{k}$ is discussed in [5, 6], where the authors show that $\Delta_{k}$ is hypoelliptic on $D$ provided $D$ is invariant under all reflections $\sigma_{\alpha}$. However, if $D$ is not invariant, the question whether $\Delta_{k}$ is hypoelliptic on $D$ or not remaind open. ###### Theorem 5. Let $D$ be a $\Delta_{k}$-regular open set. Then $\Delta_{k}$ is hypoelliptic on $D$ if and only if $D$ is invariant. ###### Proof. It is obviously sufficient to prove that $\Delta_{k}$ is not hypoelliptic on $D$ provided $D$ is not invariant. Assume that $D$ is not invariant. Since the open set $D\setminus\cup_{\alpha\in R_{+}}H_{\alpha}$ is also not invariant, there exists a nonempty open ball $B$ such that $\overline{B}\subset D\setminus\cup_{\alpha\in R_{+}}H_{\alpha}\quad\textrm{and}\quad\sigma_{\alpha}(B)\subset\mathbb{R}^{d}\setminus D\;\textrm{ for some }\;\alpha\in R_{+}.$ We also choose the ball $B$ small enough such that, for every $\alpha\in R_{+}$, $\sigma_{\alpha}(B)\subset D\quad\textrm{ or }\quad\sigma_{\alpha}(B)\subset\mathbb{R}^{d}\setminus D.$ Let $I:=\\{\alpha\in R_{+};\;\sigma_{\alpha}(B)\subset\mathbb{R}^{d}\setminus D\\}$ and $J:=R_{+}\setminus I$. Let $f$ be a continuous function on $\mathbb{R}^{d}\setminus D$ and denote $H_{D}^{\Delta_{k}}f$ by $h$. Since $B$ is $\Delta$-regular and $h$ satisfies $\int h(x)\Delta_{k}\varphi(x)w_{k}(x)dx=0\quad\textrm{ for every}\;\varphi\in C^{\infty}_{c}(B),$ it follows from Theorem 1 that $B$ is $\Delta_{k}$-regular and, for every $x\in B$, $h(x)=\frac{1}{\sqrt{w_{k}(x)}}\left(H_{B}^{\Delta-q}(h\sqrt{w_{k}})(x)+G_{B}^{\Delta-q}\left(\sqrt{w_{k}}Nh\right)(x)\right).$ (9) Let $g_{1}$ and $g_{2}$ be the functions defined on $B$ by $g_{1}(x)=\sum_{\alpha\in J}\frac{|\alpha|^{2}k(\alpha)}{\langle x,\alpha\rangle^{2}}h(\sigma_{\alpha}x)\quad\textrm{and}\quad g_{2}(x)=\sum_{\alpha\in I}\frac{|\alpha|^{2}k(\alpha)}{\langle x,\alpha\rangle^{2}}f(\sigma_{\alpha}x).$ It is clear that the function $g_{2}$ is not trivial and $Nh=g_{1}+g_{2}$. Now, assume that $h\in C^{\infty}(D)$. Then $g_{1}\in C^{\infty}(B)$ and therefore $G_{B}^{\Delta-q}\left(\sqrt{w_{k}}g_{1}\right)\in C^{\infty}(B)$. Furthermore, since $H_{B}^{\Delta-q}(h\sqrt{w_{k}})\in C^{\infty}(B)$, it follows from (9) that $G_{B}^{\Delta-q}\left(\sqrt{w_{k}}g_{2}\right)\in C^{\infty}(B)$. Thus $-(\Delta-q)G_{B}^{\Delta-q}\left(\sqrt{w_{k}}g_{2}\right)=\sqrt{w_{k}}g_{2}\in C^{\infty}(B)$ and therefore $g_{2}\in C^{\infty}(B)$, a contradiction. Hence $h$ is not infinitely differentiable on $D$ and consequently the Dunkl Laplacian $\Delta_{k}$ is not hypoelliptic on $D$. ∎ ## References * [1] M. Ben Chrouda and K. El Mabrouk, Dirichlet problem associated with Dunkl Laplacian on $W$-invariant open sets, Preprint. arxiv: 1402.1597 (2014). * [2] A. Boukricha, W. Hansen and H. Hueber, Continuous solutions of the generalized Schrödinger equation and perturbation of harmonic spaces, Expo. Math. 5 (1987) 97–135. * [3] C. F. Dunkl, Differential-difference operators associated to reflection groups, Trans. Am. Math. Soc. 311 (1989) 167–183. * [4] K. L. Chung and Z. Zhao, From Brownian motion to Schrödinger’s equation, Springer-Verlag, 1995. * [5] K. Hassine, Mean value property associated with the Dunkl Laplacian, Preprint. arxiv: 1401.1949 (2014). * [6] H. Mejjaoli and K. Trimèche, Hypoellipticity and hypoanalyticity of the Dunkl Laplacian operator, Integral Transforms Spec. Funct. 15 (2004) 523–548.
arxiv-papers
2014-02-23T13:31:29
2024-09-04T02:49:58.672146
{ "license": "Public Domain", "authors": "Mohamed Ben Chrouda", "submitter": "Mohamed Ben Chrouda", "url": "https://arxiv.org/abs/1402.5605" }
1402.5715
# Variational Particle Approximations Ardavan Saeedi111First two authors contributed equally. [email protected] CSAIL Massachusetts Institute of Technology Tejas D. Kulkarni* [email protected] Department of Brain & Cognitive Sciences Massachusetts Institute of Technology Vikash K. Mansinghka [email protected] Department of Brain & Cognitive Sciences Massachusetts Institute of Technology Samuel J. Gershman [email protected] Department of Psychology and Center for Brain Science Harvard University ###### Abstract Approximate inference in high-dimensional, discrete probabilistic models is a central problem in computational statistics and machine learning. This paper describes discrete particle variational inference (DPVI), a new approach that combines key strengths of Monte Carlo, variational and search-based techniques. DPVI is based on a novel family of particle-based variational approximations that can be fit using simple, fast, deterministic search techniques. Like Monte Carlo, DPVI can handle multiple modes, and yields exact results in a well-defined limit. Like unstructured mean-field, DPVI is based on optimizing a lower bound on the partition function; when this quantity is not of intrinsic interest, it facilitates convergence assessment and debugging. Like both Monte Carlo and combinatorial search, DPVI can take advantage of factorization, sequential structure, and custom search operators. This paper defines DPVI particle-based approximation family and partition function lower bounds, along with the sequential DPVI and local DPVI algorithm templates for optimizing them. DPVI is illustrated and evaluated via experiments on lattice Markov Random Fields, nonparametric Bayesian mixtures and block-models, and parametric as well as non-parametric hidden Markov models. Results include applications to real-world spike-sorting and relational modeling problems, and show that DPVI can offer appealing time/accuracy trade-offs as compared to multiple alternatives. ## 1 Introduction Monte Carlo methods are based on the idea that one can approximate a complex distribution with a set of stochastically sampled particles. The flexibility and variety of Monte Carlo methods have made them the workhorse of statistical computation (Robert and Casella, 2004). However, their success relies critically on having available a good sampler, and designing such a sampler is often challenging. In this paper, we rethink particle approximations over discrete hypothesis spaces from a different perspective. Suppose we got to pick where to place the particles in the hypothesis space; where would we put them? Intuitively, we would want to distribute them in such a way that they cover high probability regions of the target distribution, but without the particles all devolving onto the mode of the distribution. This problem can be formulated precisely within the framework of variational inference (Wainwright and Jordan, 2008), which treats probabilistic inference as an optimization problem over a set of distributions. We derive a coordinate ascent update for particle approximations that iteratively minimizes the Kullback-Leibler (KL) divergence between the particle approximation and the target distribution. After introducing our general framework, we describe how it can be applied to filtering and smoothing problems. We then show experimentally that variational particle approximations can overcome a number of problems that are challenging for conventional Monte Carlo methods. In particular, our approach is able to produce a diverse, high probability set of particles in situations where Monte Carlo and mean-field variational methods sometimes degenerate. ## 2 Background Consider the problem of approximating a probability distribution $P(x)$ over discrete latent variables $x=\\{x_{1},\ldots,x_{N}\\},x_{n}\in\\{1,\ldots,M^{k}_{n}\\}$, where the target distribution is known only up to a normalizing constant $Z$: $P(x)=f(x)/Z$. We will refer to $f(x)\geq 0$ as the _score_ of $x$ and $Z$ as the _partition function_. We further assume that $P(x)$ is a Markov network defined on a graph $G$, so that $f(x)$ factorizes according to: $\displaystyle f(x)=\prod_{c}f_{c}(x_{c}),$ (1) where $c\subseteq\\{1,\ldots,N\\}$ indexes the maximal cliques of $G$. ### 2.1 Importance sampling and sequential Monte Carlo A general way to approximate $P(x)$ is with a weighted collection of $K$ particles, $\\{x^{1},\ldots,x^{K}\\}$: $\displaystyle P(x)\approx Q(x)=\sum_{k=1}^{K}w^{k}\delta[x,x^{k}],$ (2) where $x^{k}=\\{x^{k}_{1},\ldots,x^{k}_{N}\\},x^{k}_{n}\in\\{1,\ldots,M^{k}_{n}\\}$ and $\delta[\cdot,\cdot]=1$ if its arguments are equal and 0 otherwise. Importance sampling is a Monte Carlo method that stochastically generates particles from a proposal distribution, $x^{k}\sim\phi(\cdot)$, and computes the weight according to $w^{k}\propto f(x^{k})/\phi(x^{k})$. Importance sampling has the property that the particle approximation converges to the target distribution as $K\rightarrow\infty$ (Robert and Casella, 2004). Sequential Monte Carlo methods such as particle filtering (Doucet et al., 2001) apply importance sampling to stochastic dynamical systems (where $n$ indexes time) by sequentially sampling the latent variables at each time point using a proposal distribution $\phi(x_{n}|x_{n-1})$. This procedure can produce conditionally low probability particles; therefore, most algorithms include a resampling step which replicates high probability particles and kills off low probability particles. The downside of resampling is that it can produce degeneracy: the particles become concentrated on a small number of hypotheses, and consequently the effective number of particles is low. ### 2.2 Variational inference Variational methods (Wainwright and Jordan, 2008) define a parametrized family of probability distributions $\mathcal{Q}$ and then choose $Q\in\mathcal{Q}$ that maximizes the _negative variational free energy_ : $\displaystyle\mathcal{L}[Q]=\sum_{x}Q(x)\log\frac{f(x)}{Q(x)}.$ (3) The negative variational free energy is related to the partition function $Z$ and the KL divergence through the following identity: $\displaystyle\log Z=\mbox{KL}[Q||P]+\mathcal{L}[Q],$ (4) where $\displaystyle\mbox{KL}[Q||P]=\sum_{x}Q(x)\log\frac{Q(x)}{P(x)}.$ (5) Since $\mbox{KL}[Q||P]\geq 0$, the negative variational free energy is a lower bound on the log partition function, achieving equality when the KL divergence is minimized to 0. Maximizing $\mathcal{L}[Q]$ with respect to $Q$ is thus equivalent to minimizing the KL divergence between $Q$ and $P$. Unlike the Monte Carlo methods described in the previous section, variational methods do not in general converge to the target distribution, since typically $P$ is not in $\mathcal{Q}$. The advantage of variational methods is that they guarantee an improved bound after each iteration, and convergence is easy to monitor (unlike most Monte Carlo methods). In practice, variational methods are also often more computationally efficient. We next consider particle approximations from the perspective of variational inference. We then turn to the application of particle approximations to inference in stochastic dynamical systems. ## 3 Variational particle approximations Variational inference can be connected to Monte Carlo methods by viewing the particles as a set of variational parameters parameterizing $Q$. For the particle approximation defined in Eq. 2, the negative variational free energy takes the following form: $\displaystyle\mathcal{L}[Q]=\sum_{k=1}^{K}w^{k}\log\frac{f(x^{k})}{w^{k}V^{k}},$ (6) where $V^{k}=\sum_{j=1}^{K}\delta[x^{j},x^{k}]$ is the number of times an identical replica of $x^{k}$ appears in the particle set. We wish to find the set of $K$ particles and their associated weights that maximize $\mathcal{L}[Q]$, subject to the constraint that $\sum_{k=1}^{K}w^{k}=1$. This constraint can be implemented by defining a new functional with Lagrange multiplier $\lambda$: $\displaystyle\tilde{\mathcal{L}}[Q]=\mathcal{L}[Q]+\lambda\left(\sum_{k=1}^{K}w^{k}-1\right).$ (7) Taking the functional derivative of the Lagrangian with respect to $w^{k}$ and equating to zero, we obtain: $\displaystyle\frac{\partial\tilde{\mathcal{L}}[Q]}{\partial w^{k}}$ $\displaystyle=\log f(x^{k})-\log w^{k}-\log V^{k}+\lambda-1=0$ $\displaystyle\Longrightarrow w^{k}=Z_{Q}^{-1}f(x^{k})/V^{k},$ (8) where $\displaystyle Z_{Q}=\exp(\lambda-1)^{-1}=\sum_{k=1}^{K}\frac{f(x^{k})}{V^{k}}.$ (9) We can plug the above result back into the definition of $\mathcal{L}[Q]$: $\displaystyle\mathcal{L}[Q]$ $\displaystyle=Z^{-1}_{Q}\sum_{k=1}^{K}\frac{f(x^{k})}{V^{k}}\log\frac{f(x^{k})V^{k}}{Z^{-1}_{Q}f(x^{k})V^{k}}$ $\displaystyle=Z^{-1}_{Q}\sum_{k=1}^{K}\frac{f(x^{k})}{V^{k}}\log Z_{Q}$ $\displaystyle=\log Z_{Q}$ (10) Thus, $\mathcal{L}[Q]$ is maximized by choosing the $K$ values of $x$ with the highest score. The following theorem shows that allowing $V^{k}>1$ (i.e., having replica particles) can never improve the bound. Theorem: Let $Q$ and $Q^{\prime}$ denote two particle approximations, where $Q$ consists of unique particles ($V^{k}=1$ for all $k$) and $Q^{\prime}$ is identical to $Q$ except that particle $x^{j}$ is replicated $V^{j}$ times (displacing $V^{j}$ other particles with cumulative score $F$). For any choice of particles, $\mathcal{L}[Q]\geq\mathcal{L}[Q^{\prime}]$. Proof: We first apply Jensen’s inequality to obtain an upper bound on $\mathcal{L}[Q^{\prime}]$: $\displaystyle\mathcal{L}[Q^{\prime}]\leq\log\sum_{k=1}^{K}w^{k}Z_{Q}=\log\sum_{k=1}^{K}\frac{f(x^{k})}{V^{k}}.$ (11) Since $\mathcal{L}[Q]=\log Z_{Q}$, we wish to show that $Z_{Q}\geq\sum_{k=1}^{K}\frac{f(x^{k})}{V^{k}}$. All the particles in $Q$ and $Q^{\prime}$ are identical except for $x^{j}$ and the $V^{j}$ particles in $Q$ that were displaced by replicas of $x^{j}$ in $Q^{\prime}$; thus we only need to establish that $f(x^{j})+F\geq\frac{V^{j}f(x^{j})}{V^{j}}=f(x^{j})$. Since the score can never be negative, $F\geq 0$ and the inequality holds for any choice of particles. $\blacksquare$ Algorithm 1 Discrete particle variational inference 1: /*$N$ is the number of latent variables */ 2: /*$x^{k}$ is the set of all latent variables for the $k$th particle: $x^{k}=\\{x^{k}_{1},\ldots,x^{k}_{N}\\}$ */ 3: /*$M^{k}_{n}$ is the support of latent variable $x^{k}_{n}$ */ 4: Input: initial particle approximation $Q$ with $K$ particles, tolerance $\epsilon$ 5: while $|\mathcal{L}[Q]-\mathcal{L}[Q^{\prime}]|>\epsilon$ do 6: for $n=1$ to $N$ do 7: $\mathcal{X}=\emptyset$ 8: for $k=1$ to $K$ do 9: Copy particle $k$: $\tilde{x}^{k}\leftarrow x^{k}$ 10: for $m=1$ to $M^{k}_{n}$ do 11: Modify particle: $\tilde{x}_{n}^{k}\leftarrow m$ 12: Score $\tilde{x}^{k}$ using Eq. 12 13: $\mathcal{X}\leftarrow\mathcal{X}\cup(\tilde{x}^{k},f(\tilde{x}^{k}))$ 14: end for 15: end for 16: Select the $K$ particles from $\mathcal{X}$ with the largest scores 17: Construct new particle approximation $Q^{\prime}(x)=\sum_{k=1}^{K}w^{k}\delta[x,x^{k}]$ 18: Compute variational bound $\mathcal{L}[Q^{\prime}]$ using Eq. 10 19: end for 20: end while 21: return particle approximation $Q^{\prime}$ The variational bound can be optimized by coordinate ascent, as specified in Algorithm 1, which we refer to as _discrete particle variational inference_ (DPVI). This algorithm takes advantage of the fact that when optimizing the bound with respect to a single variable, only potentials local to that variable need to be computed. In particular, let $\tilde{x}^{k}$ be a replica of $x^{k}$ with a single-variable modification, $\tilde{x}_{n}^{k}=m$. We can compute the unnormalized probability of this particle efficiently using the following equation: $\displaystyle f(\tilde{x}^{k})=f(x^{k})\frac{\mathcal{F}_{n}(\tilde{x}^{k})}{\mathcal{F}_{n}(x^{k})}$ (12) where $\mathcal{F}_{n}(x)=\prod_{c:n\in c}f_{c}(x_{c})$. The variational bound for the modified particle can then be computed using Eq. 10. Particles can be initialized arbitrarily. When repeatedly iterated, DPVI will converge to a local maximum of the negative variational free energy. Note that in principle more sophisticated methods can be used to find the top $K$ modes (e.g., Flerova et al., 2012; Yanover and Weiss, 2003); however, we have found that this coordinate ascent algorithm is fast, easy to implement, and very effective in practice (as our experiments below demonstrate). An important aspect of this framework is that it maintains one of the same asymptotic guarantees as importance sampling: $Q$ converges to $P$ as $K\rightarrow\infty$, since in this limit DPVI is equivalent to exact inference. Thus, DPVI combines advantages of variational methods (monotonically decreasing KL divergence between $Q$ and $P$) with the asymptotic correctness of Monte Carlo methods. The asymptotic complexity of DPVI in the sequential setting is $O(SNK)$ where $S$ is the maximum support size of the latent variables. For the iterative update of the particles the complexity is $O(TCSK)$, where $T$ is the maximum number of iterations until convergence and $C$ is the maximum clique size. In our experiments, we empirically observed that we only need a small number of iterations and particles in order to outperform our baselines. ## 4 Filtering and smoothing in hidden Markov models We now describe how variational particle approximations can be applied to filtering and smoothing in hidden Markov models (HMMs). Consider a hidden Markov model with observations $y=\\{y_{1},\ldots,y_{N}\\}$ generated by the following stochastic process: $\displaystyle P(y,x,\theta)=P(\theta)\prod_{n}P(y_{n}|x_{n},\theta)P(x_{n}|x_{n-1},\theta),$ (13) where $\theta$ is a set of transition and emission parameters. We are particularly interested in _marginalized_ HMMs where the parameters are integrated out: $P(y,x)=\int_{\theta}P(y,x,\theta)d\theta$. This induces dependencies between observation $n$ and all previous observations, making inference challenging. Filtering is the problem of computing the posterior over the latent variables at time $n$ given the history $y_{1:n}$. To construct the variational particle approximation of the filtering distribution, we need to compute the product of potentials for variable $n$: $\displaystyle\mathcal{F}_{n}(x)=P(y_{n}|x_{1:n},y_{1:n-1})P(x_{n}|x_{1:n-1}).$ (14) We can then apply the coordinate ascent update described in the previous section. This update is simplified in the filtering context due to the underlying Markov structure: $\displaystyle f(\tilde{x}^{k})=$ $\displaystyle f(x^{k})P(y_{n}|x_{n}^{k}=m,x_{1:n-1},y_{1:n-1})P(x^{k}_{n}=m|x_{1:n-1}).$ (15) At each time step, the algorithm selects the $K$ continuations (new variable assignments of the current particle set) that maximize the negative variational free energy. Smoothing is the problem of computing the posterior over the latent variables at time $n$ given data from both the past and the future, $y_{1:N}$. The product of potentials is given by: $\displaystyle\mathcal{F}_{n}(x)=P(y_{n}|x_{1:n},y_{-n})P(x_{n}|x_{-n}),$ (16) where $x_{-n}$ refers to all the latent variables except $x_{n}$ (and likewise for $y_{-n}$). This potential can be plugged into the updates described in the previous section. To understand DPVI applied to filtering problems, it is helpful to contemplate three possible fates for a particle at time $n$ (illustrated in Figure 1): * • Selection: A single continuation of particle $k$ has non-zero weight. This can be seen as a deterministic version of particle filtering, where the sampling operation is replaced with a max operation. * • Splitting: Multiple continuations of particle $k$ have non-zero weight. In this case, the particle is split into multiple particles at the next iteration. * • Deletion: No continuations of particle $k$ have non-zero weight. In this case, the particle is deleted from the particle set. Similar to particle filtering with resampling, DPVI deletes and propagates particles based on their probability. However, as we show later, DPVI is able to escape some of the problems associated with resampling. | ---|--- (A) DPVI | (B) Particle Filtering Figure 1: Schematic of DPVI versus particle filtering for filtering problems. Illustration of different filtering scenarios over 2 time steps in a binary state space with $K=3$ particles. The number in each circle indicates the binary value of the corresponding variable. Arrows indicate the evolution of the particles. (A) DPVI: The size of the putative particles represents the score of the particle. The $K$ continuations with highest score are selected for propagation to the next time step. The size of the new particle set corresponds to the normalized score. Particle $P1$ is split, $P2$ is deleted and one putative particle from $P3$ is selected. (B) Particle filtering: The size of the node represents the weight of the particle for the resampling step. ## 5 Related work DPVI is related to several other ideas in the statistics literature: * • DPVI is a special case of a _mixture mean-field variational approximation_ (Jaakkola and Jordan, 1998; Lawrence, 2000): $\displaystyle Q(x)=\sum_{k=1}^{K}Q(k)\prod_{n=1}^{N}Q(x_{n}|k).$ (17) In DPVI, $Q(k)=w^{k}$ and $Q(x_{n}|k)=\delta[x_{n},x_{n}^{k}]$. A distinct advantage of DPVI is that the variational updates do not require the additional lower bound used in general mixture mean-field, due to the intractability of the mean-field updates. * • When $K=1$, DPVI is equivalent to _iterated conditional modes_ (ICM; Besag, 1986), which iteratively maximizes each latent variable conditional on the rest of the variables. * • DPVI is conceptually similar to nonparametric variational inference (Gershman et al., 2012), which approximates the posterior over a continuous state space using a set of particles convolved with a Gaussian kernel. * • Frank et al. (2009) used particle approximations within a variational message passing algorithm. The resulting approximation is “local” in the sense that the particles are used to approximate messages passed between nodes in a factor graph, in contrast to the “global” approximation produced by DPVI, which attempts to capture the distribution over the entire set of variables. * • Ionides (2008) described a truncated version of importance sampling in which weights falling below some threshold are set to the threshold value. This is similar (though not equivalent) to the DPVI setting where latent variables are sampled exhaustively and without replacement. * • Finally, DPVI is closely related to the problem of finding the $K$ most probable latent variable assignments (Flerova et al., 2012; Yanover and Weiss, 2003). We view this problem through the lens of particle approximations, connecting it to both Monte Carlo and variational methods. ## 6 Experiments In this section, we compare the performance of DPVI to several widely used approximate inference algorithms, including particle filtering and variational methods. We first present a didactic example to illustrate how DPVI can sometimes succeed where particle filtering fails. We then apply DPVI to four probabilistic models: the Dirichlet process mixture model (DPMM; Antoniak, 1974; Escobar and West, 1995), the infinite HMM (iHMM; Beal et al., 2002; Teh et al., 2006), the infinite relational model (IRM; Kemp et al., 2006) and the Ising model. ### 6.1 Didactic example: binary HMM (A) --- (B) Figure 2: Comparison of approximate inference schemes. (_A_) Approximating families for DPVI, Monte Carlo and mean-field. (_B_) Illustration of the differences between schemes in (A) on a binary HMM. As a didactic example, we use a simple HMM with binary hidden states ($x$) and observations ($y$): $\displaystyle P(x_{n+1}=0|x_{n}=0)=\alpha_{0}$ $\displaystyle P(x_{n+1}=1|x_{n}=1)=\alpha_{1}$ $\displaystyle P(y_{n}=0|x_{n}=0)=\beta_{0}$ $\displaystyle P(y_{n}=1|x_{n}=1)=\beta_{1},$ (18) with $\alpha_{0}$, $\alpha_{1}$, $\beta_{0}$, and $\beta_{1}$ all less than 0.5. We will use this model to illustrate how DPVI differs from particle filtering. Figure 2 compares several inference schemes for this model. For illustration, we use the following parameters: $\alpha_{0}=0.2$, $\alpha_{1}=0.1$, $\beta_{0}=0.3$, and $\beta_{1}=0.2$. Suppose you observe a sequence generated from this model. For a sufficiently long sequence, a particle filter with resampling will eventually delete all conditionally unlikely particles, and thus suffer from degeneracy. On the other hand, without resampling the approximation will degrade over time because conditionally unlikely particles are never replaced by better particles. For this reason, it is sometimes suggested that resampling only be performed when the effective sample size (ESS) falls below some threshold. The ESS is calculated as follows: $\displaystyle\mbox{ESS}=\frac{1}{\sum_{k=1}^{K}(w^{k})^{2}}.$ (19) A low ESS means that most of the weight is being placed on a small number of particles, and hence the approximation may be degenerate (although in some cases this may mean that the target distribution is peaky). We evaluated particle filtering with multinomial resampling on synthetic data generated from the HMM described above. Approximation accuracy was measured by using the forward-backward algorithm to compute the hidden state posterior marginals exactly and then comparing these marginals to the particle approximation. Figure 3 shows performance as a function of ESS threshold, demonstrating that there is a fairly narrow range of thresholds for which performance is good. Thus in practice, successful applications of particle filtering may require computationally expensive tuning of this threshold. Figure 3: HMM with binary hidden states and observations. Total marginal error computed for a sequence of length 200. For particle filtering the total error for every ESS value is averaged over 5 sequences generated from the HMM; in addition, for each sequence we reran the particle filter 5 times (thus 25 runs total). Note the logarithmic scale of the x-axis. Error bars and the thin black lines correspond to standard error of the mean. In contrast, DPVI achieves performance comparable to the optimal particle filter, but without a tunable threshold. This occurs because DPVI uses an implicit threshold that is automatically tuned to the problem. Instead of resampling particles, DPVI deletes or propagates particles deterministically based on their relative contribution to the variational bound. ### 6.2 Dirichlet process mixture model A DPMM generates data from the following process (Antoniak, 1974; Escobar and West, 1995): $\displaystyle G\sim\mbox{DP}(\alpha,G_{0}),\quad\quad\theta_{n}|G\sim G,\quad\quad y_{n}|\theta_{n}\sim F(\theta_{n}),$ where $\alpha\geq 0$ is a concentration parameter and $G_{0}$ is a base distribution over the parameter $\theta_{n}$ of the observation distribution $F(y_{n}|\theta_{n})$. Since the Dirichlet process induces clustering of the parameters $\theta$ into $K$ distinct values, we can equivalently express this model in terms of a distribution over cluster assignments, $x_{n}\in\\{1,\ldots,C\\}$. The distribution over $x$ is given by the Chinese restaurant process (Aldous, 1985): $\displaystyle P(x_{n}=c|x_{1:n-1})\propto\begin{cases}t_{c}&\text{if }k\leq C_{+}\\\ \alpha&\text{if }c=C_{+}+1,\end{cases}$ (20) where $t_{c}$ is the number of data points prior to $n$ assigned to cluster $c$ and $C_{+}$ is the number of clusters for which $t_{c}>0$. #### 6.2.1 Synthetic data We first demonstrate our approach on synthetic datasets drawn from various mixtures of bivariate Gaussians (see Table 1). The model parameters for each simulated dataset were chosen to create a spectrum of increasingly overlapping clusters. In particular, we constructed models out of the following building blocks: $\displaystyle\mu_{1}=\bigl{(}\begin{smallmatrix}0.0,&0.0\end{smallmatrix}\bigr{)},\quad\quad\mu_{2}=\bigl{(}\begin{smallmatrix}0.5,&0.5\end{smallmatrix}\bigr{)}$ $\displaystyle\Sigma_{1}=\bigl{(}\begin{smallmatrix}0.25,&0.0\\\ 0.0,&0.25\end{smallmatrix}\bigr{)},\quad\quad\Sigma_{2}=\bigl{(}\begin{smallmatrix}0.5,&0.0\\\ 0.0,&0.5\end{smallmatrix}\bigr{)}.$ For the DPMM, we used a Normal likelihood with a Normal-Inverse-Gamma prior on the component parameters: $\displaystyle y_{nd}|x_{n}=k\sim\mathcal{N}(m_{kd},\sigma_{kd}^{2}),\quad\quad m_{kd}\sim\mathcal{N}(0,\sigma_{kd}^{2}/\tau),\quad\quad\sigma_{kd}^{2}\sim\text{IG}(a,b),$ (21) where $d\in\\{1,2\\}$ indexes observation dimensions and $\text{IG}(a,b)$ denotes the Inverse Gamma distribution with shape $a$ and scale $b$. We used the following hyperparameter values: $\tau=25,a=1,b=1,\alpha=0.5$. Dataset | Particle Filtering ($K=20$) | DPVI ($K=1$) | DPVI ($K=20$) ---|---|---|--- D1: $[\mu_{1},4\mu_{2},8\mu_{2}],\Sigma_{1}$ | 0.97$\pm$0.03 | 0.93$\pm$0.05 | 0.99$\pm$0.02 D2: $[\mu_{1},4\mu_{2},8\mu_{2}],\Sigma_{2}$ | 0.89$\pm$0.05 | 0.86$\pm$0.07 | 0.90$\pm$0.03 D3: $[\mu_{1},2\mu_{2},4\mu_{2}],\Sigma_{1}$ | 0.58$\pm$0.12 | 0.51$\pm$0.03 | 0.74$\pm$0.16 D4: $[\mu_{1},2\mu_{2},4\mu_{2}],\Sigma_{2}$ | 0.50$\pm$0.06 | 0.46$\pm$0.05 | 0.55$\pm$0.07 D5: $[\mu_{1},\mu_{2},2\mu_{2}],\Sigma_{1}$ | 0.05$\pm$0.05 | 0.014$\pm$0.02 | 0.14$\pm$0.10 D6: $[\mu_{1},\mu_{2},2\mu_{2}],\Sigma_{2}$ | 0.15$\pm$0.08 | 0.11$\pm$0.06 | 0.19$\pm$0.07 Table 1: Clustering accuracy (V-Measure) for DPMM. Each dataset consisted of 200 points drawn from a mixture of 3 Gaussians. For each dataset, we repeated the experiment 150 times by iterating through random seeds. The left column shows the ground truth mean for each cluster and the covariance matrix (shared across clusters). Clustering accuracy was measured quantitatively using V-measure (Rosenberg and Hirschberg, 2007). Figure 4 graphically demonstrates the discovery of latent clusters for both DPVI as well as particle filtering. As shown in Table 1, we observe only marginal improvements when the means are farthest from each other and variances are small, as these parameters leads to well-separated clusters in the training set. However, the relative accuracy of DPVI increases considerably when the clusters are overlapping, either due to the fact that the means are close to each other or the variances are high. An interesting special case is when $K=1$. In this case, DPVI is equivalent to the greedy algorithm proposed by Daume (2007) and later extended by Wang and Dunson (2011). In fact, this algorithm was independently proposed in cognitive psychology by Anderson (1991). As shown in Table 1, DPVI with 20 particles outperforms the greedy algorithm, as well as particle filtering with 20 particles. Ground Truth Particle Filter DPVI (D1) (D2) (D3) (D4) (D5) (D6) Figure 4: DPMM clustering of synthetic datasets. We treat DPMM as a filtering problem, analyzing one randomly chosen data point at a time. Colors indicate cluster assignments. Each row corresponds to one synthetic dataset; refer to Table 1 for corresponding quantitative results. Column 1: Ground truth; Column 2: particle filtering; Column 3: DPVI. The DPVI filter scales similarly to the particle filter but does not underfit as severely. #### 6.2.2 Spike sorting Spike sorting is an important problem in experimental neuroscience settings where researchers collect large amounts of electrophysiological data from multi-channel tetrodes. The goal is to extract from noisy spike recordings attributes such as the number of neurons, and cluster spikes belonging to the same neuron. This problem naturally motivates the use of DPMM, since the number of neurons recorded by a single tetrode is unknown. Previously, Wood and Black (2008) applied the DPMM to spike sorting using particle filtering and Gibbs sampling. Here we show that DPVI can outperform particle filtering, achieving high accuracy even with a small number of particles. We used data collected from a multiunit recording from a human epileptic patient (Quiroga et al., 2004). The raw spike recordings were preprocessed following the procedure proposed by Quiroga et al. (2004), though we note that our inference algorithm is agnostic to the choice of preprocessing. The original data consist of an input vector with $D=10$ dimensions and 9196 data points. Following Wood and Black (2008), we used a Normal likelihood with a Normal-Inverse-Wishart prior on the component parameters: $\displaystyle\mathbf{y}_{n}|x_{n}=k\sim\mathcal{N}(\mathbf{m}_{k},\Lambda_{k}),\quad\quad\mathbf{m}_{k}\sim\mathcal{N}(0,\Lambda_{k}/\tau),\quad\quad\Lambda_{k}\sim\text{IW}(\Lambda_{0},\nu),$ (22) where $\text{IW}(\Lambda_{0},\nu)$ denotes the Inverse Wishart distribution with degrees of freedom $\nu$ and scale matrix $\Lambda_{0}$. We used the following hyperparameter values: $\nu=D+1,\Lambda_{0}=\mathbf{I},\tau=0.01,\alpha=0.1$. We compared our algorithm to the current best particle filtering baseline, which uses stratified resampling (Wood and Black, 2008; Fearnhead, 2004). The same model parameters were used for all comparisons. Qualitative results, shown in Figure 5, demonstrate that DPVI is better able to separate the spike waveforms into distinct clusters, despite running DPVI with 10 particles and particle filtering with 100 particles. We also provide quantitative results by calculating the held-out log-likelihood on an independent test set of spike waveforms. The quantitative results (summarized in Table 2) demonstrate that even with only 10 particles DPVI can outperform particle filtering with $1000$ particles. (A) (B) Figure 5: Spike Sorting using the DPMM. Each line is an individual spike waveform, colored according to the inferred cluster. (_A_) Result using particle filtering with 100 particles and stratified resampling as reported in Wood and Black (2008). (_B_) Result using DPVI. The same model parameters were used for both particle filtering and DPVI. Method | Held-out log-likelihood ---|--- DPVI ($K=10$) | -3.2474$\times 10^{5}$ ($\hat{C}=3$) DPVI ($K=100$) | -1.3888$\mathbf{\times 10^{5}}$ ($\mathbf{\hat{C}=3}$) Particle Filtering (Stratified) ($K=10$) | -1.4771$\pm 0.21\times 10^{6}$ ($\hat{C}=37$) Particle Filtering (Stratified) ($K=100$) | -5.6757$\pm 1.14\times 10^{5}$ ($\hat{C}=13$) Particle Filtering (Stratified) ($K=1000$) | -3.2965$\times 10^{5}$ ($\hat{C}=5$) Table 2: Spike sorting held-out log-likelihood scores for 200 test points. The best performance is achieved by DPVI with 100 particles. Shown in parentheses is the _maximum a posteriori_ number of clusters, $\hat{C}$. (A) Number of particles DPVI Particle Filtering $K=10$ 15.20s 14.71s $K=50$ 153.75s 184.17s $K=100$ 567.84s 699.43s (B) Number of particles DPVI Particle Filtering $K=10$ 36.20s 124s $K=50$ 144.6s 334.2s $K=100$ 313.8s 454.2s Table 3: Run time comparison for DPMM. (_A_) Results using synthetic DPMM dataset from Table 1 and (_B_) highlights results obtained by using the spike sorting dataset. In both cases, the run time of DPVI is slightly better than particle filtering. ### 6.3 Infinite HMM An iHMM generates data from the following process (Teh et al., 2006): $\displaystyle G_{0}\sim\mbox{DP}(\gamma,H),\quad\quad G_{k}|G_{0}\sim\mbox{DP}(\alpha,G_{0}),$ $\displaystyle x_{n}|x_{n-1}\sim G_{x_{n-1}},\quad\quad\theta_{k}\sim H,\quad\quad y_{n}|x_{n}\sim F(\theta_{x_{n}}).$ Like the DPMM, the iHMM induces a sequence of cluster assignments. The distribution over cluster assignments is given by the Chinese restaurant franchise (Teh et al., 2006). Letting $t_{jc}$ denote the number of times cluster $j$ transitioned to cluster $c$, $x_{n}$ is assigned to cluster $c$ with probability proportional to $t_{x_{n-1}c}$, or to a cluster never visited from $x_{n-1}$ ($t_{x_{n-1}c}=0$) with probability proportional to $\alpha$. If an unvisited cluster is selected, $x_{n}$ is assigned to cluster $c$ with probability proportional to $\sum_{j}t_{jc}$, or to a new cluster (i.e., one never visited from any state, $\sum_{j}t_{jc}=0$) with probability proportional to $\gamma$. (A) (B) Figure 6: Infinite HMM results. (_A_) Results on 500 synthetic data points generated from an HMM with 10 hidden states. Error is the Hamming distance between the true hidden sequence and the sampled sequence, averaged over 50 datasets. M: multinomial resampling; S: stratified resampling. Lower bound is the expected Hamming distance between data-generating distribution and ground truth. Upper bound is the expected Hamming distance between uniform distribution and ground truth. (_B_) Predictive log-likelihood for the “Alice in Wonderland” dataset. Particle filtering (M) and (S) overlap in the figure. The error bars in both parts show standard error. #### 6.3.1 Synthetic data We generated 50 sequences with length 500 from 50 different HMMs, each with 10 hidden and 5 observed states. For the rows of the transition and initial probability matrices of the HMMs we used a symmetric Dirichlet prior with concentration parameter 0.1; for the emission probability matrix, we used a symmetric Dirichlet prior with concentration parameter 10. Figure 6A illustrates the performance of DPVI and particle filtering (with multinomial and stratified resampling) for varying numbers of particles ($K=1,10,100$). Performance error was quantified by computing the Hamming distance between the true hidden sequence and the sampled sequence. The Munkres algorithm was used to maximize the overlap between the two sequences. The results show that DPVI outperforms particle filtering in all three cases. When the data consist of long sequences, resampling at every step will produce degeneracy in particle filtering; this tends to result in a smaller number of clusters relative to DPVI. The superior accuracy of DPVI suggests that a larger number of clusters is necessary to capture the latent structure of the data. Not surprisingly, this leads to longer run times (Table 4), but it is important to note that particle filtering and DPVI have comparable per-cluster time complexity. (A) Number of particles DPVI Particle Filtering $K=1$ 1.28 1.14s $K=10$ 3.56s 1.92s $K=100$ 204.42s 31.99s (B) Number of particles DPVI Particle Filtering $K=1$ 4.73s 1.64s $K=10$ 41.62s 28.08s $K=100$ 1685s 211.66s Table 4: Run time comparison for iHMM. (_A_) Results using the synthetic iHMM dataset from Figure 5A and (_B_) results using the “Alice in Wonderland” dataset. #### 6.3.2 Text analysis We next analyzed a real-world dataset, text taken from the beginning of “Alice in Wonderland”, with 31 observation symbols (letters). We used the first 1000 characters for training, and the subsequent 4000 characters for test. Performance was measured by calculating the predictive log-likelihood. We fixed the hyperparameters $\alpha$ and $\gamma$ to 1 for both DPVI and the particle filtering. We ran one pass of DPVI (filtering) and particle filtering over the training sequence. We then sampled 50 datasets from the distribution over the sequences. We truncated the number of states and used the learned transition and emission matrices to compute the predictive log-likelihood of the test sequence. To handle the unobserved emissions in the test sequence we used “add-$\delta$” smoothing with $\delta=1$. Finally, we averaged over all the 50 datasets. We also compared DPVI to the beam sampler (Van Gael et al., 2008), a combination of dynamic programming and slice sampling, which was previously applied to this dataset. For the beam sampler, we followed the setting of Van Gael et al. (2008). We run the sampler for 10000 iterations and collect a sample of hidden state sequence every 200 iterations. Figure 6B shows the predictive log-likelihood for varying numbers of particles. Even with a small number of particles, DPVI can outperform both particle filtering and the beam sampler. ### 6.4 Infinite relational model (IRM) The IRM (Kemp et al., 2006) is a nonparametric model of relational systems. The model simultaneously discovers the clusters of entities and the relationships between the clusters. A key assumption of the model is that each entity belongs to exactly one cluster. Given a relation $R$ involving $J$ types of entities, the goal is to infer a vector of cluster assignments $x^{j}$ for all the entities of each type $j=1,\ldots,J$.222The IRM model can be defined for multiple relations but for simplicity we only describe the single relation case. Assuming the cluster assignments for each type are independent, the joint density of the relation and the cluster assignment vectors can be written as: $\displaystyle P(R,x^{1},\ldots,x^{J})=P(R|x^{1},\ldots,x^{J})\prod_{j=1}^{J}P(x^{j}).$ (23) The cluster assignment vectors are drawn from a $\mbox{CRP}(\alpha)$ prior. Given the cluster assignment vectors, the relations are drawn from a Bernoulli distribution with a parameter that depends on the clusters involved in that relation. More formally, let us define a binary relation $R:T^{d_{1}}\times\dots T^{d_{M}}\mapsto\\{0,1\\}$, where $d_{m}$ is the label of the type occupying position $m$ in the relation. Each relational value is generated according to: $\displaystyle R(i_{1},\ldots,i_{M})|x^{1},\ldots,x^{J}\sim\text{Bernoulli}(\eta(x_{i_{1}}^{d_{1}},\ldots,x_{i_{M}}^{d_{M}})),$ (24) where $i_{m}$ denotes the entity (of type $d_{m}$) occupying position $m$. Each entry of $\eta$ is drawn from a Beta($\beta,\beta$) distribution. By using a conjugate Beta-Bernoulli model, we can analytically marginalize the parameters $\eta$ (see Kemp et al., 2006), allowing us to directly compute the likelihood of the relational matrix given the cluster assignments, $P(R|x^{1},\ldots,x^{J})$. We compared the performance of DPVI with Gibbs sampling, using predictive log- likelihood on held-out data as a performance metric. Two datasets analyzed in Kemp et al. (2006), “animals” and “Alyawarra”, were used for this task. The animals dataset (Osherson et al., 1991) is a two type dataset $R:T_{1}\times T_{2}\to\\{0,1\\}$ with animals and features as it types; it contains 50 animals and 85 features. The Alyawarra dataset (Denham, 1973) has a ternary relation $R:T_{1}\times T_{1}\times T_{2}\to\\{0,1\\}$ where $T_{1}$ is the set of 104 people and $T_{2}$ is the set of 25 kinship terms. We removed 20% of the relations form each dataset and computed the predictive log-likelihood for the held-out data. We ran DPVI with 1, 10 and 20 particles for 100 iterations. Given the weights of the particles, we computed the weighted log-likelihood. We also ran 20 independent runs of the Gibbs sampler for 100 iterations and computed the average predictive log-likelihood. Every iteration scans all the data points in all the types sequentially. We set the hyperparameters $\alpha$ and $\beta$ to 1. Figure 7 illustrates the co- clustering discovered by DPVI for the animals dataset, demonstrating intuitively reasonable animal and feature clusters. | Sample animal clusters: ---|--- A1: Hippopotamus, Elephant, Rhinoceros A2: Seal, Walrus, Dolphins, Blue Whale, Killer Whale, Humpback Whale A3: Beaver, Otter, Polar Bear Sample feature clusters: F1: Hooves, Long neck, Horns | F2: Inactive, Slow, Bulbous Body, Tough Skin | F3: Lives in Fields, Lives in Plains, Grazer | F4: Walks, Quadrupedal, Ground | F5: Fast, Agility, Active, Tail Figure 7: Co-clustering of animals (rows) and features (columns) after 50 iterations of DPVI with 10 particles. The results after 100 iterations are presented in Table 5. The best performance is achieved by DPVI with 20 particles. Figure 8 shows the predictive log-likelihood for every iteration of DPVI and Gibbs sampling. For the animals dataset, DPVI with 10 and 20 particles converge in 11 and 18 iterations, respectively. The number of iterations required for convergence in the Alyawarra dataset is just 2 and 3 for 10 and 20 particles, respectively. In terms of computation time per iteration of DPVI versus Gibbs, the only difference for DPVI with one particle and Gibbs is the sorting cost. Hence, for the multiple particle versus multiple runs of Gibbs sampling, the only additional cost is the sorting cost for multiple particles (e.g. 10 or 20). However, this insignificant additional cost is compensated for by a faster convergence rate in our experiments. | Predicitive log-likelihood ---|--- Method | Animals | Alyawarra DPVI ($K=1$) | -418.498 | -8.452 $\times 10^{3}$ DPVI ($K=10$) | -382.543 | -8.450 $\times 10^{3}$ DPVI ($K=20$) | -370.674 | -8.450 $\times 10^{3}$ Gibbs (avg. of $20$ runs) | -374.986 | -8.453 $\times 10^{3}$ Table 5: Predictive log-likelihood after 100 iterations of DPVI and Gibbs for the animals and Alyawarra datasets (with 20 % held-out). The best performance is achieved by DPVI with 20 particles. | ---|--- (A) | (B) Figure 8: Predictive log-likelihood vs iteration for (_A_) Animals and (_B_) Alyawarra datasets. For DPVI the predictive log-likelihood is the weighted average across all the particles. For Gibbs sampling the bold line corresponds to the mean across samples, and the error bars correspond to the standard error. ### 6.5 Ising model So far, we have been studying inference in directed graphical models, but DPVI can also be applied to undirected graphical models. We illustrate this using the Ising model for binary vectors $x\in\\{-1,+1\\}^{N}$: $\displaystyle f(x)=\frac{1}{2}xWx^{\top}+\theta x^{\top},$ (25) where $W\in\mathbb{R}^{N\times N}$ and $\theta\in\mathbb{R}^{N}$ are fixed parameters. In particular, we study a square lattice ferromagnet, where $W_{ij}=\beta$ for neighboring nodes (0 otherwise) and $\theta_{i}=0$ for all nodes. We refer to $\beta$ as the _coupling strength_. This model has two global modes: when all the nodes are set to 1, and when all the nodes are set to 0. As the coupling strength increases, the probability mass becomes increasingly concentrated at the two modes. We applied DPVI to this model, varying the number of particles and the coupling strength. To quantify performance, we computed the DPVI variational lower bound on the partition function and compared this to the lower bound furnished by the mean-field approximation (see Wainwright and Jordan, 2008). Figure 9A shows the results of this analysis for low coupling strength ($\beta=0.01$) and high coupling strength ($\beta=100$). DPVI consistently achieves a better lower bound than mean-field, even with a single particle, and this advantage is especially conspicuous for high coupling strength. Adding more particles improves the results, but more than 3 particles does not appear to confer any additional improvement for high coupling strength. These results illustrate how DPVI is able to capture multimodal target distributions, where mean-field approximations break down (since they cannot effectively handle multimodality). Figure 9: Ising model results. Difference between DPVI and mean-field lower bounds on the partition function. Positive values indicates superior DPVI performance. (_A_) Low coupling strength; (_B_) high coupling strength. To illustrate the performance of DPVI further, we compared several posterior approximations for the Ising model in Figure 10. In addition to the mean-field approximation, we also compared DPVI with two other standard approximations: the Swendsen-Wang Monte Carlo sampler (Swendsen and Wang, 1987) and loopy belief propagation (Murphy et al., 1999). The sampler tended to produce noisy results, whereas mean-field and BP both failed to capture the multimodal structure of the posterior. In contrast, DPVI with two particles perfectly captured the two modes. Figure 10: Ising model simulations. Examples of posteriors for the ferromagnetic lattice at low coupling strength. (_Top_) Two configurations from a Swendsen-Wang sampler. (_Middle_) Two DPVI particles. (_Bottom left_) Mean-field expected value. (_Bottom right_) Loopy belief propagation expected value. ## 7 Conclusions This paper introduced a variational framework for particle approximations of discrete probability distributions. We described a practical algorithm for optimizing the approximation, and showed empirically that it can outperform widely-used Monte Carlo and variational algorithms. The key to the success of this approach is an optimal selection of particles: Rather than generating them randomly (as in Monte Carlo algorithms), we deterministically choose a set of unique particles that optimizes the KL divergence between the approximation and the target distribution. Because we are selecting particles optimally, we can achieve good performance with a smaller number of particles compared to Monte Carlo algorithms, thereby improving computational efficiency. Another advantage of DPVI is that its deterministic nature eliminates the contribution of Monte Carlo variance to estimation error. A consistent problem vexing sequential Monte Carlo methods like particle filtering is the double-edged sword of resampling: this step is necessary to remove conditionally unlikely particles, but the resulting loss of particle diversity can lead to degeneracy. As we showed in our experiments, tuning an ESS threshold for resampling can improve performance, but requires finding a relatively narrow sweet spot for the threshold. DPVI achieves comparable performance to the best particle filter by using a deterministic strategy for deleting and replacing particles, avoiding finicky tuning parameters. It is also worth noting two other desirable properties of DPVI in this context: (1) the particle set is guaranteed to be diverse because all particles are unique; (2) all the particles have high probability and therefore the propagation of conditionally unlikely particles is avoided, as happens when particle filtering is run without resampling. We believe that this combination of properties is a key to the superior performance of DPVI relative to particle filtering. An important task for future work is to consider how DPVI can be efficiently applied to models with combinatorial latent structure (such as the factorial HMM), which may have too many assignments to enumerate completely. In this setting, it is desirable to use a proposal distribution to selectively sample certain assignments. An interesting possibility is to use randomly seeded optimization algorithms to generate high probability proposals. Since the proposal mechanism does not play any role in the score function (unlike in particle filtering, where samples have to be reweighted), we are free to choose any deterministic or stochastic proposal mechanism without needing to evaluate its probability density function. In summary, DPVI harmoniously combines a number of ideas from Monte Carlo and variational methods. The resulting algorithm can achieve performance superior to widely used particle filtering, MCMC and mean-field methods, though more work is needed to evaluate its performance on a wider range of probabilistic models and to compare it to other inference algorithms. ## Acknowledgments TDK is generously supported by the Leventhal Fellowship. VKM is supported by the Army Research Office Contract Number 0010363131, Office of Naval Research Award N000141310333, and the DARPA PPAML program. The views and conclusions contained herein are those of the authors and should not be interpreted as necessarily representing the official policies or endorsements, either expressed or implied, of the U.S. Government. The U.S. Government is authorized to reproduce and distribute reprints for Governmental purposes notwithstanding any copyright annotation thereon. ## References * Aldous (1985) David Aldous. Exchangeability and related topics. _École d’Été de Probabilités de Saint-Flour XIII 1983_ , pages 1–198, 1985. * Anderson (1991) John R Anderson. The adaptive nature of human categorization. _Psychological Review_ , 98:409–429, 1991. * Antoniak (1974) Charles E Antoniak. Mixtures of Dirichlet processes with applications to Bayesian nonparametric problems. _The Annals of Statistics_ , pages 1152–1174, 1974. * Beal et al. (2002) Matthew J Beal, Zoubin Ghahramani, and Carl E Rasmussen. The infinite hidden Markov model. 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arxiv-papers
2014-02-24T03:58:16
2024-09-04T02:49:58.681180
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/4.0/", "authors": "Ardavan Saeedi, Tejas D Kulkarni, Vikash Mansinghka, Samuel Gershman", "submitter": "Tejas Kulkarni", "url": "https://arxiv.org/abs/1402.5715" }
1402.5725
# Some Applications of Generalized Mountain Pass Lemma Fengying Li111Email:[email protected] The School of Economic and Mathematics, Southwestern University of Finance and Economics, Chengdu 611130, China Bingyu Li and Shiqing Zhang College of Mathematics, Sichuan University, Chengdu 610064, People’s Republic of China ###### Abstract The Ghoussoub-Preiss’s generalized Mountain Pass Lemma with Cerami-Palais- Smale type condition is a generalization of classical MPL of Ambrosetti- Rabinowitz, we apply it to study the existence of the periodic solutions with a given energy for some second order Hamiltonian systems with symmetrical and non-symmetrical potentials. Key Words: Second order Hamiltonian systems, periodic solutions, Ghoussoub- Preiss’s Generalized Mountain Pass Lemma, Cerami-Palais-Smale condition at some levels for a closed subset. 2000 Mathematical Subject Classification: 34C15, 34C25, 58F. ## 1\. Introduction and Main Results In 1948, Seifert([17]) studied the periodic solutions of the Hamiltonian systems using geometrical and topological methods; in 1978 and 1979, Rabinowitz([15,16])studied the periodic solutions of the Hamiltonian systems using global variational methods; in 1980’s, Benci ([4])and Gluck-Ziller([9]) and Hayashi([11]) used Jacobi metric and very complicated geodesic methods and algebraic topology to study the periodic solutions for second order Hamiltonian systems with a fixed energy: $\displaystyle\ddot{q}+V^{\prime}(q)=0$ (1.1) $\displaystyle\frac{1}{2}|\dot{q}|^{2}+V(q)=h$ (1.2) They proved the following very general theorem: ###### Theorem 1.1 Suppose $V\in C^{1}(R^{n},R)$ ,if $\\{x\in R^{n}|V(x)\leq h\\}$ is bounded, and $V^{\prime}(x)\not=0,\ \ \ \ \forall x\in\\{x\in R^{n}|V(x)=h\\},$ then the (1.1)-(1.2) has a periodic solution with energy h. For the existence of multiple periodic solutions for (1.1)-(1.2), we can refer Groessen([10]) and Long [12] and the references there. Ambrosetti–Coti Zelati([1]) used Ljusternik-Schnirelmann theory with classical $(PS)^{+}$ compact condition to get the following Theorem: ###### Theorem 1.2 Suppose $V\in C^{2}(\mathbb{R}^{n}\backslash\\{0\\},\mathbb{R})$ satisfies: $(A1)$. $3V^{\prime}(x)\cdot{x}+V^{\prime\prime}(x)x\cdot{x}\neq 0,\>\forall\,x\in\Omega=\mathbb{R}^{n}\backslash\\{0\\}$; $(A2)$. $V^{\prime}(x)\cdot{x}>0,\quad\forall\,x\in\Omega$; $(A3^{\prime})$. $\exists\,\alpha\in(0,2)$, such that $V^{\prime}(x)\cdot{x}\geq-\alpha V(x),\quad\forall\>x\in\Omega;$ $(A4^{\prime})$. $\exists\,\delta\in(0,2)$ and $r>0$, such that $V^{\prime}(x)\cdot{x}\leq-\delta V(x),\quad\forall\>0<|x|\leq r;$ $(A5^{\prime})$. $\underset{|x|\rightarrow+\infty}{\liminf}\left[V(x)+\dfrac{1}{2}V^{\prime}(x)\cdot{x}\right]\geq 0$. Then $\forall\,h<0$ the system (1.1)-(1.2) has at least a non-constant weak periodic solution which satisfies (1.1)-(1.2) pointwise except on a zero- measurable set. Ambrosetti-Coti Zelati ([2]) used a variant of the classical Mountain-Pass Lemma and a constraint minimizing method to get the following Theorems: ###### Theorem 1.3 Suppose $V\in C^{1}(\mathbb{R}^{n}\backslash\\{0\\},\mathbb{R})$ satisfies: $(V1)$. $V(-\xi)=V(\xi),\>\forall\,\xi\in\Omega=\mathbb{R}^{n}\backslash\\{0\\}$; $(V2)$. $\exists\,\alpha\in[1,2)$, such that $\nabla V(\xi)\cdot{\xi}\geq-\alpha V(\xi)>0,\quad\forall\,\xi\in\Omega;$ $(V3)$. $\exists\,\delta\in(0,2)$ and $r>0$, such that $\nabla V(\xi)\cdot{\xi}\leq-\delta V(\xi),\quad\forall\>0<|\xi|\leq r;$ $(V4)$. $V(\xi)\rightarrow 0$, as $|\xi|\rightarrow+\infty$. Then $\forall\,h<0$, the problem $(1.1)-(1.2)$ has a weak periodic solution. ###### Theorem 1.4 Suppose $V$ satisfies $(V1),(V3),(V4)$ and $(V2^{\prime})$. $\exists\,\alpha\in(0,2)$, such that $\nabla V(\xi)\cdot{\xi}\geq-\alpha V(\xi)>0,\quad\forall\,\xi\in\Omega;$ $(V5)$. $V\in C^{2}(\Omega,\mathbb{R})$ and $3\nabla V(\xi)\cdot{\xi}+V^{\prime\prime}(\xi)\xi\cdot{\xi}>0.$ Then $\forall h<0,(1.1)-(1.2)$ has a weak periodic solution. Yuan-Zhang([19]) proved the following Theorem: ###### Theorem 1.5 Suppose $V\in C^{1}(\mathbb{R}^{n}\backslash\\{0\\},\mathbb{R})$ satisfies: $(V_{1})$. $V(-q)=V(q);$ $(V_{2})$. There are constant $0<\alpha<2$ such that $\langle V^{\prime}(q),q\rangle\geqslant-\alpha V(q)>0,\quad\forall\,q\in\mathbb{R}^{n}\backslash\\{0\\};$ $(V_{3})$. $\exists\,\delta\in(0,2),r>0$, such that $\langle V^{\prime}(q),q\rangle\leqslant-\delta V(q),\quad\forall\,0<|q|\leq r;$ $(V_{4})$. $V(q)\rightarrow 0$, as $|q|\rightarrow+\infty$. Then for any given $h<0$, the system (1.1)-(1.2) has at least a non-constant weak periodic solution which can be obtained by Mountain Pass Lemma. Motivated by these papers ,we use Ghoussoub-Preiss’s Generalized Mountain Pass Lemma with Cerami-Palais-Smale condition at some levels for a closed subset to study the new periodic solutions with symmetrical and non-symmetrical potentials, we obtain the following Theorems: Theorem 1.6 Suppose $V\in C^{1}(R^{n},R)$ and $h\in R$ satisfies $(B_{1})$ $V(-q)=V(q).$ $(B_{2})$ $\exists\mu_{1}>0,\mu_{2}\geq 0,s.t.$ $V^{\prime}(q)\cdot q\geq\mu_{1}V(q)-\mu_{2}.$ $(B_{3})$ $V(q)\geq h,|q|\rightarrow+\infty.$ $(B_{4})$ $\forall q\not=0,3V^{\prime}(q)\cdot q+V^{\prime\prime}(q)q\cdot q\not=0.$ Then for any $h>\frac{\mu_{2}}{\mu_{1}},$ $(1.1)-(1.2)$ has at least one non- constant periodic solution with the given energy h, which can be obtained by the generalized MPL method. Corollary1.1 Suppose $a>0,\mu_{1}\geq 2,\mu_{2}\geq 0,V(q)=a|q|^{\mu_{1}}+\frac{\mu_{2}}{\mu_{1}}$, then the conditions of Theorem1.1 hold and for any $h>\frac{\mu_{2}}{\mu_{1}}$ , $(1.1)-(1.2)$ has at least two non-constant periodic solution with the given energy h. Theorem 1.7 Suppose $V\in C^{1}(R^{n},R)$ and $h\in R$ satisfies ($B_{2}$), ($B_{3}$) and ($B_{5}$) $\exists r>0$, s.t. $\inf_{u\in F}\int_{0}^{1}(h-V(u))dt>0,$ where $F\triangleq\\{u\in H^{1}|\|\dot{u}\|_{L^{2}}=r\\}.$ Then $\forall h>\frac{\mu_{2}}{\mu_{1}}$, (1.1)-(1.2) has at least one non- constant periodic solution with energy $h$. ## 2 A Few Lemmas Define Sobolev space: $H^{1}=W^{1,2}(R/TZ,R^{n})=\\{u:R\rightarrow R^{n},u\in L^{2},\dot{u}\in L^{2},u(t+1)=u(t)\\}$ Then the standard $H^{1}$ norm is equivalent to $\|u\|=\|u\|_{H^{1}}=\left(\int^{1}_{0}|\dot{u}|^{2}dt\right)^{1/2}+|\int_{0}^{1}u(t)dt|.$ Lemma 2.1([1,10]) Let $f(u)=\frac{1}{2}\int^{1}_{0}|\dot{u}|^{2}dt\int^{1}_{0}(h-V(u))dt$ and $\widetilde{u}\in H^{1}$ be such that $f^{\prime}(\widetilde{u})=0$ and $f(\widetilde{u})>0$. Set $\frac{1}{T^{2}}=\frac{\int^{1}_{0}(h-V(\widetilde{u}))dt}{\frac{1}{2}\int^{1}_{0}|\dot{\widetilde{u}}|^{2}dt}$ (2.1) Then $\widetilde{q}(t)=\widetilde{u}(t/T)$ is a non-constant $T$-periodic solution for (1.1)-(1.2). By symmetry condition $(B_{1})$, similar to Ambrosetti-Coti Zelati[2], let $E_{1}=\\{u\in H^{1}=W^{1,2}(R/Z,R^{n}),u(t+1/2)=-u(t)\\},$ $E_{2}=\\{u\in H^{1}=W^{1,2}(R/Z,R^{n}),u(-t)=-u(t)\\}.$ By the symmetrical condition $(B_{1})$ and Palais’s symmetrical principle([14]) or similar proof of [1,2],we have Lemma 2.2 If $\bar{u}\in E_{i}$ is a critical point of $f(u)$ and $f(\bar{u})>0$, then $\bar{q}(t)=\bar{u}(t/T)$ is a non-constant $T$-periodic solution of (1.1)-(1.2). Using the famous Ekeland’s variational principle, Ekeland proved Lemma 2.3(Ekeland[7]) Let $X$ be a Banach space, $F\subset X$ be a closed (weakly closed) subset. Suppose that $\Phi$ defined on $F$ is Gateaux- differentiable and lower semi-continuous (or weakly lower semi-continuous) and bounded from below. Then there is a sequence $x_{n}\subset F$ such that $\Phi(x_{n})\rightarrow\inf_{F}\Phi$ $(1+\|x_{n}\|)\|\Phi^{{}^{\prime}}(x_{n})\|\rightarrow 0.$ Motivated by the paper of Cerami[6], Ekeland [7], Ghoussoub-Preiss[8] presented a weaker compact condition than the classical $(CPS)_{c}$ condition: Definition 2.1([7,8]) Let $X$ be a Banach space, $F\subset X$ be a closed subset, let $\delta(x,F)$ denotes the distance of $x$ to the set $F$. Suppose that $\Phi$ defined on $X$ is Gateaux-differentiable, if sequence $\\{x_{n}\\}\subset X$ such that $\delta(x_{n},F)\rightarrow 0,$ $\Phi(x_{n})\rightarrow c,$ $(1+\|x_{n}\|)\|\Phi^{{}^{\prime}}(x_{n})\|\rightarrow 0,$ then $\\{x_{n}\\}$ has a strongly convergent subsequence. Then we call $f$ satisfies $(CPS)_{c,F}$ condition at the level $c$ for the closed subset $F\subset X$, we denote it as $(CPS)_{c,F}$ We can give a weaker condition than $(CPS)_{c}$ condition: Definition 2.2 Let $X$ be a Banach space. $F\subset X$ be a weakly closed subset. Suppose that $\Phi$ defined on $X$ is Gateaux-differentiable, if sequence $x_{n}$ such that $\delta(x_{n},F)\rightarrow 0,$ $\Phi(x_{n})\rightarrow\gamma,$ $(1+\|x_{n}\|)\|\Phi^{{}^{\prime}}(x_{n})\|\rightarrow 0,$ then $\\{x_{n}\\}$ has a weakly convergent subsequence. Then we call $f$ satisfies $(WCPS)_{c,F}$ condition. Now by $\bf Lemma2.3$, it’s easy to prove Lemma 2.4 Let $X$ be a Banach space, (i). Let $F\subset X$ be a closed subset. Suppose that $\Phi$ defined on $X$ is Gateaux-differentiable and lower semi-continuous and bounded from below, if $\Phi$ satisfies $(CPS)_{\inf\Phi,F}$ condition, then $\Phi$ attains its infimum on $F$. (ii). Let $F\subset X$ be a weakly closed subset. Suppose that $\Phi$ defined on $F$ is Gateaux-differentiable and weakly lower semi-continuous and bounded from below, if $\Phi$ satisfies $(WCPS)_{inf\Phi,F}$ condition, then $\Phi$ attains its infimum on $F$. Definition 2.3([7,8]) Let $X$ be a Banach space, $F\subset X$ be a closed subset. If $z_{0},z_{1}$ belong different disjoint connected components in $X\backslash F$, then we call $F$ separates $z_{0}$ and $z_{1}$. Motivated by the famous classical Mountain Pass Lemma of Ambrosetti-Rabinowitz [3], Ghoussoub-Preiss[8] gave a generalized MPL: Lemma 2.5 (Ghoussoub-Preiss’s generalized MPL [8],[7]) Let $X$ be a Banach space.Suppose that $\Phi(u):X\rightarrow R$ is a continuous Gateaux- differentiable function with $\Phi^{\prime}:X\rightarrow X^{*}$ norm-to-weak∗ continuous. Take two points $z_{0},z_{1}$ in $X$, and define $\Gamma=\\{c\in C^{0}([0,1];X)|c(0)=z_{0},c(1)=z_{1}\\}$ $\gamma=\inf_{c\in\Gamma}\max_{0\leq t\leq 1}\Phi(c(t))$ Let $F\subset X$ be a closed subset separating $z_{0}$ and $z_{1}$. Assume that $\Phi(x)>\max\\{\Phi(z_{0}),\Phi(z_{1})\\},\forall x\in F,$ $\Phi$ satisfies condition $(CPS)_{\gamma,F}$ on the level $\gamma$ for the set $F$. Then there is a critical point of $\Phi$ on the level $\gamma.$ ## 3 The Proof of Theorem 1.6 We define weakly closed subsets of $H^{1}$: $F=\\{u\in H^{1}|\int_{0}^{1}(V(u)+\frac{1}{2}V^{\prime}(u)u)dt=h\\}.$ $F_{i}=\\{u\in E_{i}|\int_{0}^{1}(V(u)+\frac{1}{2}V^{\prime}(u)u)dt=h\\},i=1,2.$ Lemma 3.1 If $(B_{2})-(B_{4})$ hold,then $F,F_{1},F_{2}\not=\emptyset$. Proof Similar to the proof of [1].Let $u\in H^{1},u\not=0$ be fixed. For $a>0$,let $g_{u}(a)=g(au)=\int_{0}^{1}[V(au)+\frac{1}{2}V^{\prime}(au)au]dt$ By $(B_{4})$,$\frac{d}{da}g_{u}(a)\not=0$,so $g_{u}$ is strictly monotone. Notice that $g_{u}(0)=g(0)=V(0)\leq\frac{\mu_{2}}{\mu_{1}}$ When $a$ is large,we use $(B_{2})-(B_{3})$ to have $g_{u}(a)=g(au)=\int_{0}^{1}[V(au)+\frac{1}{2}V^{\prime}(au)au]dt$ $\geq(1+\frac{\mu_{1}}{2})\int_{0}^{1}V(au)dt-\frac{\mu_{1}}{2}$ $\geq(1+\frac{\mu_{1}}{2})h-\frac{\mu_{1}}{2}$ Hence $\forall h>\frac{\mu_{2}}{\mu_{1}}$, we have $g_{u}(+\infty)=g(+\infty)>h$ So for any given $u\in H^{1},u\not=0$,there is $a(u)>0$ such that $a(u)u\in F$. Similarly we can prove that for any given $u\in E_{i},u\not=0$,there is $a(u)>0$ such that $a(u)u\in F_{i}.$ Lemma 3.2 If $(B_{1}),(B_{2})$ and $(B_{4})$ hold , then for any given $c>0$, $f(u)$ satisfies $(CPS)_{c,F_{i}}$ condition, that is : If $\\{u_{n}\\}\subset H^{1}$ satisfies $\delta(u_{n},F_{i})\rightarrow 0,f(u_{n})\rightarrow c>0,\ \ \ \ (1+\|u_{n}\|)f^{\prime}(u_{n})\rightarrow 0.$ (3.1) Then $\\{u_{n}\\}$ has a strongly convergent subsequence. Proof Notice that $\forall u\in E_{i},\int_{0}^{1}u(t)dt=0$, so we know $\|u\|_{E_{i}}\triangleq(\int_{0}^{1}|\dot{u}|^{2}dt)^{1/2}$ is an equivalent norm on $E_{i}$. Now from $f(u_{n})\rightarrow c$, we have $-\frac{1}{2}\|u_{n}\|_{E_{i}}^{2}\cdot\int^{1}_{0}V(u_{n})dt\rightarrow c-\frac{h}{2}\|u_{n}\|_{E_{i}}^{2}$ (3.2) By $(B_{2})$ we have $\displaystyle<f^{\prime}(u_{n}),u_{n}>$ $\displaystyle=$ $\displaystyle\|u_{n}\|_{E_{i}}^{2}\cdot\int^{1}_{0}(h-V(u_{n})-\frac{1}{2}<V^{\prime}(u_{n}),u_{n}>)dt$ (3.3) $\displaystyle\leq$ $\displaystyle\|u_{n}\|_{E_{i}}^{2}\int^{1}_{0}[h+\frac{\mu_{2}}{2}-(1+\frac{\mu_{1}}{2})V(u_{n})]dt$ By (3.2) and (3.3) we have $\displaystyle<f^{\prime}(u_{n}),u_{n}>$ $\displaystyle\leq$ $\displaystyle(h+\frac{\mu_{2}}{2})\|u_{n}\|_{E_{i}}^{2}+(1+\frac{\mu_{1}}{2})(2c-h\|u_{n}\|_{E_{i}}^{2})$ (3.4) $\displaystyle=$ $\displaystyle(-\frac{\mu_{1}}{2}h+\frac{\mu_{2}}{2})\|u_{n}\|_{E_{i}}^{2}+C_{1}$ Where $C_{1}=2(1+\frac{\mu_{1}}{2})c$ Since $h>\frac{\mu_{2}}{\mu_{1}}$, then (3.1)and (3.4) imply $\|u_{n}\|_{E_{i}}$ is bounded. The rest for proving $\\{u_{n}\\}$ has a strongly convergent subsequence is standard. Remark 3.1 We notice that in our proof, we didn’t use the condition $\delta(u_{n},F_{i})\rightarrow 0.$ (3.5) It seems interesting to efficiently use this condition to weak our assumptions. Lemma 3.2 Let $G=\\{u\in H^{1}|\int_{0}^{1}(V(u)+\frac{1}{2}V^{\prime}(u)u)dt<h\\},$ (3.6) $G_{i}=\\{u\in E_{i}|\int_{0}^{1}(V(u)+\frac{1}{2}V^{\prime}(u)u)dt<h\\}.$ (3.7) Then (i).$F,F_{i},i=1,2$ are respectively the boundaries of $G,G_{i}$. (ii).If $(B_{1})$ holds, then $F,F_{i},G,G_{i}$ are symmetric with respect to the origin $0$. (iii).If $V(0)<h$ holds, then $0\in G,G_{i},i=1,2.$ It’s not difficult to prove the following two Lemmas: Lemma 3.3 $f(u)$ is weakly lower semi-continuous on $H^{1}$ and $F,F_{i}.$ Lemma 3.4 $F,F_{i},i=1,2.$ are weakly closed subsets in $H^{1}$. Lemma 3.5 The functional $f(u)$ has positive lower bound on $F_{i}.$ Proof By the definitions of $f(u)$ and $F_{i}$, we have $f(u)=\frac{1}{4}\int^{1}_{0}|\dot{u}|^{2}dt\int^{1}_{0}(V^{\prime}(u)u)dt,u\in F_{i}.$ (3.8) For $u\in F_{i}$ and $(B_{2})$ ,we have $\frac{1}{2}V^{\prime}(u)u=h-V(u)\geq h-\frac{1}{\mu_{1}}V^{\prime}(u)u-\frac{\mu_{2}}{\mu_{1}},$ $V^{\prime}(u)u\geq\frac{h-\frac{\mu_{2}}{\mu_{1}}}{\frac{1}{2}+\frac{1}{\mu_{1}}}>0.$ So we have the functional $f(u)\geq 0$. Furthermore, we claims that $\inf f(u)>0,$ (3.9) since otherwise, $u(t)=const$ attains the infimum 0. If $u\in F_{i}$, then by the symmetry $u(t+1/2)=-u(t)$ or $u(-t)=-u(t)$, we know $u(t)=0,\forall t$; by ($B_{2}$) we have $V(0)\leq\frac{\mu_{2}}{\mu_{1}}$, by $h>\frac{\mu_{2}}{\mu_{1}}$, we have $V(0)<h$. By the definition of $F_{i}$, $0\notin F_{i}$. So $\inf_{F_{2}}f(u)>0.$ (3.10) Now by Lemmas 3.1-3.5 and Lemma 2.4, we know $f(u)$ attains the infimum on $F_{i}$, and we know that the minimizer is nonconstant . Lemma3.6 $\exists z_{1}\not=0,z_{1}\in H^{1}$ s.t. $f(z_{1})\leq 0.$ Proof For any given $y_{1}\not=const$,$\dot{y}_{1}\not=0$,so $min|y_{1}(t)|>0,$ we let $z_{1}(t)=Ry_{1}(t)$, then when R is large enough, by condition $(B_{3})$, we have $\int_{0}^{1}(h-V(z_{1}))dt\leq 0,$ (3.11) that is, $f(z_{1})\leq 0.$ (3.12) Lemma3.7 $f(0)=0.$ Lemma3.8 $F_{i}$ separates $z_{1}$ and $0$. Proof By $V(0)<h$, we have that $0\in G_{i}$. By $(B_{2})$ and $(B_{3})$ and $h>\frac{\mu_{2}}{\mu_{1}}$, we can choose R large enough such that $z_{1}=Ry_{1}\in\\{u\in H^{1}|\int_{0}^{1}(V(u)+\frac{1}{2}V^{\prime}(u)u)dt$ $\geq(1+\frac{\mu_{1}}{2})\int_{0}^{1}V(u)dt-\frac{\mu_{1}}{2}$ $\geq(1+\frac{\mu_{1}}{2})h-\frac{\mu_{1}}{2}>h\\}$ . So $F_{i}$ separates $z_{1}$ and $0$. Now by Lemmas 2.4-2.5, 3.1-3.8, we can prove Theorem 1.6. ## 4 The Proof of Theorem 1.7 Let $F=\\{u\in H^{1}|\|\dot{u}\|_{L^{2}}=r\\},$ $G_{1}=\\{u\in H^{1}|\|\dot{u}\|_{L^{2}}<r\\},$ $G_{2}=\\{u\in H^{1}|\|\dot{u}\|_{L^{2}}>r\\}.$ Then $H^{1}\setminus F=G_{1}\cup G_{2}$. Notice that we can use $(B_{5})$ to get that $F\cap\\{u\in H^{1}|f(u)\geq c\\}=\\{u\in H^{1},\frac{1}{2}r^{2}\int_{0}^{1}(h-V(u))dt\geq c\\},$ $\displaystyle H^{1}$ $\displaystyle\setminus(F\cap\\{u\in H^{1}|f(u)\geq c\\})$ $\displaystyle=$ $\displaystyle\\{u\in H^{1}|\|\dot{u}\|_{L^{2}}<r\\}\cup\\{u\in H^{1}|\|\dot{u}\|_{L^{2}}>r\\}\cup\\{u\in H^{1}|f(u)<c\\}.$ It’s easy to see $u_{1}=0\in G_{1}$, we choose $u_{2}$ such that $\|\dot{u_{2}}\|_{L^{2}}>r$, so $u_{2}\in G_{2}$. Now every path $g(t)$ connecting $u_{1}$ and $u_{2}$ must pass $F$, so we have $\max_{0\leq t\leq 1}f(g(t))\geq\inf_{u\in F}f(u)=(\frac{1}{2}r^{2})\inf_{u\in F}\int_{0}^{1}(h-V(u))\geq c>0.$ So from the above, in order to apply Ghoussoub-Preiss’s generalized MPL, now we only need to prove the closed set $F$ separate $u_{1}$ and $u_{2}$ and $f$ satisfies $(CPS)_{c,F}$. From the definitions of the set $F$ and $u_{1}$ and $u_{2}$, we know $F$ separate $u_{1}$ and $u_{2}$. In order to prove $f$ satisfies $(CPS)_{c,F}$ for any $c>0$, firstly, from $(B_{2})$, similar to the proof of Lemma 3.1, we can get $(\int_{0}^{1}|\dot{u}_{n}|^{2}dt)^{1/2}$ is bounded, then by $(B_{3})$, we prove that $|u_{n}(0)|$ is bounded. In fact, if otherwise, there exists a subsequence, we still denote it as $\\{u_{n}(0)\\}$ satisfying $|u_{n}(0)|\rightarrow+\infty.$ By Newton-Leibniz formula and Cauchy-Schwarz inequality, we have $\displaystyle\min_{0\leq t\leq 1}|u_{n}(t)|$ $\displaystyle\geq$ $\displaystyle|u_{n}(0)|-\|\dot{u}_{n}\|_{2}\rightarrow+\infty$ So by $(B_{3})$ we have $\int^{1}_{0}V(u_{n})dt\geq h,\ \ \ \ \rm{as}\ n\rightarrow+\infty,$ (4.14) $\lim\limits_{n\rightarrow\infty}f(u_{n})=\lim\limits_{n\rightarrow\infty}\frac{1}{2}\int^{1}_{0}|\dot{u}_{n}|^{2}dt\int^{1}_{0}(h-V(u_{n}))dt\leq 0,$ (4.15) which contradicts with $f(u_{n})\rightarrow c>0$. We know that $H^{1}$ is a reflexive Banach space, so $\\{u_{n}\\}$ has a weakly convergent subsequence. The rest that proving $\\{u_{n}\\}$ has a strongly convergent subsequence is standard, we can refer to Ambrosetti-Coti Zelati [2]. ## Acknowledgements We would like to thank the supports of NSF of China and a research fund for the Doctoral program of higher education of China. ## References * [1] A.Ambrosetti, V.Coti Zelati, Closed orbits of fixed energy for singular Hamiltonian systems, Arch. Rat. Mech. Anal. 112(1990), 339-362. * [2] A.Ambrosetti, V.Coti Zelati, Closed orbits of fixed energy for a class of $N$-body problems, Ann. Inst. H. Poincare, Analyse Non Lineare 9(1992), 187-200. * [3] A.Ambrosetti, P.Rabinowitz, Dual variational methods in critical point theory and applications, J.of Functional Analysis, 14(1973), 349-381. * [4] V.Benci, Closed geodesics for the Jacobi metric and periodic solutions of prescribed energy of natural Hamiltonian systems, Ann. Inst. Henri Poincare Anal. NonLineaire 1(1984), 401-412. * [5] K.C.Chang, Infinite dimensional Morse theory and mutiple solution problems, Birkhauser, 1993. * [6] G.Cerami, Un criterio di esistenza per i punti critici so variete illimitate, Rend. dell academia di sc.lombardo112(1978), 332-336. * [7] I.Ekeland, Convexity Methods in Hamiltonian Mechanics, Springer, 1990. * [8] N.Ghoussoub, D.Preiss, A general mountain pass principle for locating and clasifying critical points, Ann. Inst. Henri Poincare Anal. NonLineaire 6(1984), 321-330. * [9] H.Gluck and W.Ziller, Existence of periodic motions of conservative systems, in Seminar on minimal submanifolds, E.Bombieri Ed., Princeton Univ. Press,1983. * [10] E.W.C.Van Groesen,Analytical mini-max methods for Hamiltonian break orbits with a prescribed energy, JMAA 132(1988), 1-12. * [11] K.Hayashi, Periodic solutions of classical Hamiltonian systems, Tokyo J.Math., 1983. * [12] Y. Long, Index Theory for Symplectic Paths with Applications, Basel: Birkhauser, 2002. * [13] J.Mawhin, M.Willem,Critical Point Theory and Applications, Springer, 1989. * [14] R.Palais,The principle of symmetric criticality,CMP69(1979),19-30. * [15] P.H.Rabinowitz, Periodic solutions of Hamiltonian systems, Comm. Pure Appl. Math. 31(1978), 157-184. * [16] P.H.Rabinowitz, Periodic solutions of a Hamiltonian systems on a prescribed energy surface, JDE 33(1979), 336-352. * [17] H.Seifert, Periodischer bewegungen mechanischer system, Math.Zeit51(1948), 197-216. * [18] K.Yosida, Functional Analysis, Springer, Berlin, 1978. * [19] P.F.Yuan,S.Q.Zhang,New periodic solutions for a class of singular Hamiltonian systems, Acta.Math.Sinica-New Series,29(2013),1205-1218. * [20] W.P.Ziemer, Weakly differentiable functions, Springer, 1989.
arxiv-papers
2014-02-24T05:32:08
2024-09-04T02:49:58.691962
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Fengying Li and Bingyu Li and Shiqing Zhang", "submitter": "Shiqing Zhang", "url": "https://arxiv.org/abs/1402.5725" }
1402.5746
# Maximal estimates for Schrödinger equation with inverse-square potential Changxing Miao Institute of Applied Physics and Computational Mathematics, P. O. Box 8009, Beijing, China, 100088 [email protected] , Junyong Zhang Department of Mathematics, Beijing Institute of Technology, Beijing 100081, China [email protected] and Jiqiang Zheng The Graduate School of China Academy of Engineering Physics, P. O. Box 2101, Beijing, China, 100088 [email protected] ###### Abstract. In this paper, we consider the maximal estimates for the solution to an initial value problem of the linear Schrödinger equation with a singular potential. We show a result about the pointwise convergence of solutions to this special variable coefficient Schrödinger equation with initial data $u_{0}\in H^{s}(\R^{n})$ for $s>1/2$ or radial initial data $u_{0}\in H^{s}(\R^{n})$ for $s\geq 1/4$ and the solution does not converge when $s<1/4$. Key Words: Inverse square potential, Maximal estimate, Spherical harmonics AMS Classification: 35B65, 35Q55, 47J35. ## 1\. Introduction and Statement of Main Result We study the maximal estimates for the solution to an initial value problem of the linear Schrödinger equation with an inverse square potential. More precisely, we consider the following Schrödinger equation (1.1) $\begin{cases}i\partial_{t}u-\Delta u+\frac{a}{|x|^{2}}u=0,\qquad(t,x)\in\R\times\R^{n},~{}a>-(n-2)^{2}/4,\\\ u(x,0)=u_{0}(x).\end{cases}$ The scale-covariance elliptic operator $P_{a}:=-\Delta+\frac{a}{|x|^{2}}$ appearing in (1.1) plays a key role in many problems of physics and geometry. The heat and wave flows for the elliptic operator $P_{a}$ have been studied in the theory of combustion (see [28]), and in the wave propagation on conic manifolds (see [8]). The Schrödinger equation (1.1) arises in the study of quantum mechanics [10]. There has been a lot of interest in developing Strichartz estimates both for the Schrödinger and wave equations with the inverse square potential, we refer the reader to Burq etc.[3, 4, 16, 17] and the authors [13]. However, as far as we known, there is few result about the maximal estimates associated with the operator $P_{a}$, which arises in the study of pointwise convergence problem for the Schrödinger and wave equations with the inverse square potential. In this paper, we aim to address some maximal estimates in the special settings associated with the operator $P_{a}$. As a direct consequence, we obtain the pointwise convergence result for $u_{0}\in H^{s}(\R^{n})$ with $s>1/2$. In the case of the free Schrödinger equation without potential, i.e. $a=0$, there are a large amount of literature in developing the maximal estimate for its solution, which can be formally written as $\begin{split}u(t,x)=e^{it\Delta}u_{0}(x)=\int_{\R^{n}}e^{2\pi i(x\cdot\xi-t|\xi|^{2})}\hat{u}_{0}(\xi)\mathrm{d}\xi.\end{split}$ When $n=1$, Carleson [5] proved the convergence result holds in sense of that $\lim\limits_{t\rightarrow 0}u(t)=u_{0},a.e.~{}x$ when $u_{0}\in H^{s}(\R)$ with $s\geq 1/4$. Dahlberg-Kenig [7] showed that the result is sharp in the sense that the solution does not converge when $s<1/4$. When $n\geq 2$, Sjölin [22] and Vega [27] independently proved the convergence results hold when $u_{0}\in H^{s}(\R^{n})$ when $s>1/2$. It follows from the construction of Dahlberg-Kenig [7], or alternatively Vega [27] that the solution does not converge when $s<1/4$. When $n=2$, Bourgain [1] showed that there is a certain $s<1/2$ such that the convergence result holds, and this result was improved by Moyua-Vargas-Vega [12]. Having shown the bilinear restriction estimates for paraboloids, Tao-Vargas [25] and Tao [24] showed the convergence result holds for $s>15/32$ and $s>2/5$ respectively. The result was improved further to $s>3/8$ by Lee [11] and Shao [23]. Very recently, Bourgain [2] made some progress in high dimension $n\geq 2$ to show that the convergence result holds for $s>1/2-1/(4n)$ when $n\geq 1$ and the convergence result needs $s\geq(n-2)/(2n)$ when $n\geq 5$. In the situation when $a\neq 0$, the equation (1.1) can be viewed as a special Schrödinger equation with variable singular coefficients. The potential prevents us from using the Fourier transform to give the expression of the solution. With the motivation of regarding the potential term as a perturbation on angular direction in [3, 16, 13], we express the solution by using the Hankel transform of radial functions and spherical harmonics. Instead of Fourier transform, we utilize the Hankel transform and modify the argument of Vega [27] to show the pointwise convergence result holds when the initial data $u_{0}\in H^{s}(\R^{n})$ for $s>1/2$, or radial initial data $u_{0}\in H^{s}(\R^{n})$ for $s\geq 1/4$, and the solution does not converge when $s<1/4$. Let $u$ be the solution to (1.1), we define the maximal function by (1.2) $\begin{split}u^{*}(x)=\sup_{|t|>0}|u(x,t)|.\end{split}$ Our main theorems are the following: ###### Theorem 1.1. Let $\beta>1$, $n\geq 2$ and $s>\frac{1}{2}$. Then (1.3) $\begin{split}\int_{\R^{n}}|u^{*}(x)|^{2}\frac{\mathrm{d}x}{(1+|x|)^{\beta}}\leq C\|u_{0}\|^{2}_{H^{s}(\R^{n})}.\end{split}$ As a direct consequence of Theorem 1.1, we have: ###### Corollary 1.1. Let $u_{0}\in H^{s}(\R^{n})$ with $s>\frac{1}{2}$ and $n\geq 2$. Then (1.4) $\lim_{t\rightarrow 0}u(t,x)=u_{0}(x),\quad a.e.~{}~{}x\in\R^{n}.$ ###### Theorem 1.2. Let $B^{n}$ be the open unit ball in $\R^{n}$. Assume that there exists a constant $C$ independent of $u_{0}$ such that (1.5) $\begin{split}\int_{B^{n}}|u^{*}(x)|^{2}\mathrm{d}x\leq C\|u_{0}\|^{2}_{H^{s}(\R^{n})},\quad\forall~{}u_{0}(x)\in H^{s}(\R^{n}).\end{split}$ Then $s\geq\frac{1}{4}$. With this in mind, Theorem 1.1 is far from being sharp. Assuming that the initial data possesses additional angular regularity, we have ###### Theorem 1.3. Let $B^{n}$ be the open unit ball in $\R^{n}$ and $\epsilon>0$. Then there exists a constant $C$ independent of $u_{0}$ such that (1.6) $\begin{split}\int_{B^{n}}|u^{*}(x)|^{2}\mathrm{d}x\leq C\|u_{0}\|^{2}_{H^{\frac{1}{4}}_{r}H^{\frac{n-1}{2}+\epsilon}_{\theta}},\end{split}$ where for $s,s^{\prime}\geq 0$ $\begin{split}H^{s}_{r}H^{s^{\prime}}_{\theta}=\Big{\\{}g:\|g\|_{H^{s}_{r}H^{s^{\prime}}_{\theta}}:=\big{\|}(1-\Delta_{\theta})^{\frac{s^{\prime}}{2}}\big{(}(1-\Delta)^{\frac{s}{2}}g\big{)}\big{\|}_{L^{2}_{r^{n-1}\mathrm{d}r}(\R^{+};L^{2}_{\theta}(\mathbb{S}^{n-1}))}\Big{\\}}.\end{split}$ Here $\Delta_{\theta}$ denotes the Laplace-Beltrami operator on $\mathbb{S}^{n-1}$. Remarks: $\mathrm{i}).$ This result implies that the pointwise convergence of solutions to (1.1) holds for radial initial data $u_{0}\in H^{s}(\R^{n})$ with $s\geq 1/4$. $\mathrm{ii}).$ This result is an analogue of Theorem 1.1 in [6]. We remark that the parameter $\epsilon$ in [6] should be corrected for $\epsilon>1/2$ while not $\epsilon>0$. Thus, we generalize and improve the result in [6] by making use of a finer result proved in [9]. Now we introduce some notations. We use $A\lesssim B$ to denote the statement that $A\leq CB$ for some large constant $C$ which may vary from line to line and depend on various parameters, and similarly use $A\ll B$ to denote the statement $A\leq C^{-1}B$. We employ $A\sim B$ to denote the statement that $A\lesssim B\lesssim A$. If the constant $C$ depends on a special parameter other than the above, we shall denote it explicitly by subscripts. We briefly write $A+\epsilon$ as $A+$ or $A-\epsilon$ as $A-$ for $0<\epsilon\ll 1$. Throughout this paper, pairs of conjugate indices are written as $p,p^{\prime}$, where $\frac{1}{p}+\frac{1}{p^{\prime}}=1$ with $1\leq p\leq\infty$. This paper is organized as follows: In the section 2, we mainly revisit the property of the Bessel functions and the Hankel transforms associated with $-\Delta+\frac{a}{|x|^{2}}$. Section 3 is devoted to the proofs of the theorems. Acknowledgments: The authors thank the referee and the associated editor for their invaluable comments and suggestions which helped improve the paper greatly. This work was supported in part by the NSF of China under grant No.11171033, No.11231006, and No.11371059. The second author was partly supported by the Fundamental Research Foundation of BIT(20111742015) and RFDP(20121101120044). C. Miao was also supported by Beijing Center for Mathematics and Information Interdisciplinary Sciences. ## 2\. Preliminary In this section, we first list some results about the Hankel transform and the Bessel functions and then show a characterization of Sobolev norm in the Hankel transform version. We begin with recalling the expansion formula with respect to the spherical harmonics. For more details, we refer to Stein-Weiss [21]. For the sake of convenience, let (2.1) $\xi=\rho\omega\quad\text{and}\quad x=r\theta\quad\text{with}\quad\omega,\theta\in\mathbb{S}^{n-1}.$ For any $g\in L^{2}(\R^{n})$, the expansion formula with respect to the spherical harmonics yields $g(x)=\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}a_{k,\ell}(r)Y_{k,\ell}(\theta)$ where $\\{Y_{k,1},\ldots,Y_{k,d(k)}\\}$ is the orthogonal basis of the spherical harmonics space of degree $k$ on $\mathbb{S}^{n-1}$, called $\mathcal{H}^{k}$, with the dimension $d(k)=\frac{2k+n-2}{k}C^{k-1}_{n+k-3}\simeq\langle k\rangle^{n-2}.$ We remark that for $n=2$, the dimension of $\mathcal{H}^{k}$ is a constant, which is independent of $k$. Obviously, we have the orthogonal decomposition $L^{2}(\mathbb{S}^{n-1})=\bigoplus_{k=0}^{\infty}\mathcal{H}^{k}.$ By orthogonality, it gives (2.2) $\|g(x)\|_{L^{2}_{\theta}(\mathbb{S}^{n-1})}=\|a_{k,\ell}(r)\|_{\ell^{2}_{k,\ell}}.$ From $-\Delta_{\theta}Y_{k,\ell}(\theta)=k(k+n-2)Y_{k,\ell}(\theta)$, the fractional power of $1-\Delta_{\theta}$ can be written explicitly [15] (2.3) $(1-\Delta_{\theta})^{\frac{s}{2}}g(x)=\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}(1+k(k+n-2))^{\frac{s}{2}}a_{k,\ell}(r)Y_{k,\ell}(\theta).$ For our purpose, we need the Fourier transform of $a_{k,\ell}(r)Y_{k,\ell}(\theta)$. Theorem 3.10 in [21] asserts the Hankel transform formula (2.4) $\hat{g}(\rho\omega)\sim\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}i^{k}Y_{k,\ell}(\omega)\rho^{-\frac{n-2}{2}}\int_{0}^{\infty}J_{k+\frac{n-2}{2}}(2\pi r\rho)a_{k,\ell}(r)r^{\frac{n}{2}}\mathrm{d}r.$ Here the Bessel function $J_{k}(r)$ of order $k$ is defined by the integral $J_{k}(r)=\frac{(r/2)^{k}}{\Gamma(k+\frac{1}{2})\Gamma(1/2)}\int_{-1}^{1}e^{isr}(1-s^{2})^{(2k-1)/2}\mathrm{d}s\quad\text{with}~{}k>-\frac{1}{2}~{}\text{and}~{}r>0.$ A simple computation gives the rough estimates (2.5) $|J_{k}(r)|\leq\frac{Cr^{k}}{2^{k}\Gamma(k+\frac{1}{2})\Gamma(1/2)}\left(1+\frac{1}{k+1/2}\right),$ where $C$ is a absolute constant. This estimate will be mainly used when $r\lesssim 1$. Another well known asymptotic expansion about the Bessel function is (2.6) $J_{k}(r)=r^{-1/2}\sqrt{\frac{2}{\pi}}\cos(r-\frac{k\pi}{2}-\frac{\pi}{4})+O_{k}(r^{-3/2}),\quad\text{as}~{}r\rightarrow\infty$ but with a constant depending on $k$ (see [21]). As pointed out in [20], if one seeks a uniform bound for large $r$ and $k$, then the best one can do is $|J_{k}(r)|\leq Cr^{-\frac{1}{3}}$. One will find that this decay doesn’t lead to the desirable result. Moreover, we recall the properties of Bessel function $J_{k}(r)$ in [18, 20], we refer the readers to [14] for the detailed proof. ###### Lemma 2.1 (Asymptotics of the Bessel function). Assume that $k\in\N$ and $k\gg 1$. Let $J_{k}(r)$ be the Bessel function of order $k$ defined as above. Then there exist a large constant $C$ and small constant $c$ independent of $k$ and $r$ such that: $\bullet$ when $r\leq\frac{k}{2}$ (2.7) $\begin{split}|J_{k}(r)|\leq Ce^{-c(k+r)};\end{split}$ $\bullet$ when $\frac{k}{2}\leq r\leq 2k$ (2.8) $\begin{split}|J_{k}(r)|\leq Ck^{-\frac{1}{3}}(k^{-\frac{1}{3}}|r-k|+1)^{-\frac{1}{4}};\end{split}$ $\bullet$ when $r\geq 2k$ (2.9) $\begin{split}J_{k}(r)=r^{-\frac{1}{2}}\sum_{\pm}a_{\pm}(r,k)e^{\pm ir}+E(r,k),\end{split}$ where $|a_{\pm}(r,k)|\leq C$ and $|E(r,k)|\leq Cr^{-1}$. As a consequence of Lemma 2.1, we have ###### Lemma 2.2. Let $R\gg 1$. Then there exists a constant $C$ independent of $k,R$ such that (2.10) $\int_{R}^{2R}|J_{k}(r)|^{2}\mathrm{d}r\leq C.$ ###### Proof. To prove (2.10), we write $\begin{split}\int_{R}^{2R}|J_{k}(r)|^{2}\mathrm{d}r=\int_{I_{1}}|J_{k}(r)|^{2}\mathrm{d}r+\int_{I_{2}}|J_{k}(r)|^{2}\mathrm{d}r+\int_{I_{3}}|J_{k}(r)|^{2}\mathrm{d}r\end{split}$ where $I_{1}=[R,2R]\cap[0,\frac{k}{2}],I_{2}=[R,2R]\cap[\frac{k}{2},2k]$ and $I_{3}=[R,2R]\cap[2k,\infty]$. By (2.7) and (2.9), we have (2.11) $\begin{split}\int_{I_{1}}|J_{k}(r)|^{2}\mathrm{d}r\leq C\int_{I_{1}}e^{-cr}\mathrm{d}r\leq Ce^{-cR},\end{split}$ and (2.12) $\begin{split}\int_{I_{3}}|J_{k}(r)|^{2}\mathrm{d}r\leq C.\end{split}$ On the other hand, one has by (2.8) $\begin{split}\int_{[\frac{k}{2},2k]}|J_{k}(r)|^{2}\mathrm{d}r&\leq C\int_{[\frac{k}{2},2k]}k^{-\frac{2}{3}}(1+k^{-\frac{1}{3}}|r-k|)^{-\frac{1}{2}}\mathrm{d}r\leq C.\end{split}$ Observing $[R,2R]\cap[\frac{k}{2},2k]=\emptyset$ unless $R\sim k$, we obtain (2.13) $\begin{split}\int_{I_{2}}|J_{k}(r)|^{2}\mathrm{d}r\leq C.\end{split}$ This together with (2.11) and (2.12) yields (2.10). ∎ For simplicity, we define (2.14) $\mu(k)=\frac{n-2}{2}+k,\quad\text{and}\quad\nu(k)=\sqrt{\mu^{2}(k)+a}\quad\text{with}\quad a>-(n-2)^{2}/4.$ We sometime briefly write $\nu$ as $\nu(k)$. Let $f$ be Schwartz function defined on $\R^{n}$, we define the Hankel transform of order $\nu$ (2.15) $(\mathcal{H}_{\nu}f)(\xi)=\int_{0}^{\infty}(r\rho)^{-\frac{n-2}{2}}J_{\nu}(r\rho)f(r\omega)r^{n-1}\mathrm{d}r,$ where $\rho=|\xi|$, $\omega=\xi/|\xi|$ and $J_{\nu}$ is the Bessel function of order $\nu$. In particular, the function $f$ is radial, then we have (2.16) $(\mathcal{H}_{\nu}f)(\rho)=\int_{0}^{\infty}(r\rho)^{-\frac{n-2}{2}}J_{\nu}(r\rho)f(r)r^{n-1}\mathrm{d}r.$ If $f(x)=\sum\limits_{k=0}^{\infty}\sum\limits_{\ell=1}^{d(k)}a_{k,\ell}(r)Y_{k,\ell}(\theta)$, it follows from (2.4) that (2.17) $\begin{split}\hat{f}(\xi)=\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}2\pi i^{k}Y_{k,\ell}(\omega)\big{(}\mathcal{H}_{\mu(k)}a_{k,\ell}\big{)}(\rho).\end{split}$ The following properties of the Hankel transform are obtained in [3, 16]: ###### Lemma 2.3. Let $\mathcal{H}_{\nu}$ be defined above and $A_{\nu(k)}:=-\partial_{r}^{2}-\frac{n-1}{r}\partial_{r}+\big{[}\nu^{2}(k)-\big{(}\frac{n-2}{2}\big{)}^{2}\big{]}{r^{-2}}.$ Then $(\rm{i})$ $\mathcal{H}_{\nu}=\mathcal{H}_{\nu}^{-1}$, $(\rm{ii})$ $\mathcal{H}_{\nu}$ is self-adjoint, i.e. $\mathcal{H}_{\nu}=\mathcal{H}_{\nu}^{*}$, $(\rm{iii})$ $\mathcal{H}_{\nu}$ is an $L^{2}$ isometry, i.e. $\|\mathcal{H}_{\nu}\phi\|_{L^{2}_{\xi}}=\|\phi\|_{L^{2}_{x}}$, $(\rm{iv})$ $\mathcal{H}_{\nu}(A_{\nu}\phi)(\xi)=|\xi|^{2}(\mathcal{H}_{\nu}\phi)(\xi)$, for $\phi\in L^{2}$. We next recall the following almost orthogonality inequality. Denote by $P_{j}$ and $\tilde{P}_{j}$ the usual dyadic frequency localization at $|\xi|\sim 2^{j}$ and the localization with respect to $\big{(}-\Delta+\frac{a}{|x|^{2}}\big{)}^{\frac{1}{2}}$. We define the projectors $M_{jj^{\prime}}=P_{j}\tilde{P}_{j^{\prime}}$ and $N_{jj^{\prime}}=\tilde{P}_{j}P_{j^{\prime}}$. More precisely, let $f$ be in the $k$’th harmonic subspace, then $P_{j}f=\mathcal{H}_{\mu(k)}\beta_{j}\mathcal{H}_{\mu(k)}f\quad\text{and}\quad\tilde{P}_{j}f=\mathcal{H}_{\nu(k)}\beta_{j}\mathcal{H}_{\nu(k)}f,$ where $\beta_{j}(\xi)=\beta(2^{-j}|\xi|)$ with $\beta\in C_{0}^{\infty}(\R^{+})$ supported in $[\frac{1}{2},2]$. Then we have the following almost orthogonality inequality [3]: ###### Lemma 2.4 (Almost orthogonality inequality). Let $f\in L^{2}(\R^{n})$, then there exists a constant $C$ independent of $j,j^{\prime}$ such that (2.18) $\|M_{jj^{\prime}}f\|_{L^{2}(\R^{n})},~{}~{}\|N_{jj^{\prime}}f\|_{L^{2}(\R^{n})}\leq C2^{-\epsilon|j-j^{\prime}|}\|f\|_{L^{2}(\R^{n})},$ where $\epsilon<1+\min\\{\frac{n-2}{2},(\frac{(n-2)^{2}}{4}+a)^{\frac{1}{2}}\\}$. As a consequence, we have ###### Lemma 2.5. Let $f\in L^{2}(\R^{n})$ such that $f(x)=\sum\limits_{k=0}^{\infty}\sum\limits_{\ell=1}^{d(k)}a_{k,\ell}(r)Y_{k,\ell}(\theta)$. Then for $0\leq s<1+\min\\{\frac{n-2}{2},(\frac{(n-2)^{2}}{4}+a)^{\frac{1}{2}}\\}$ and $s^{\prime}\geq 0$ (2.19) $\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{M\in 2^{\Z}}M^{2s}(1+k)^{2s^{\prime}}\|b_{k,\ell}(\rho)\chi(\frac{\rho}{M})\rho^{\frac{n-1}{2}}\|_{L_{\rho}^{2}}^{2}\sim\|f\|_{\dot{H}^{s}_{r}{H}^{s^{\prime}}_{\theta}}^{2},$ where $b_{k,\ell}(\rho)=(\mathcal{H}_{\nu(k)}a_{k,\ell})(\rho)$ and $\chi\in C_{0}^{\infty}(\R^{n})$ such that $\text{supp}~{}\chi\subset[1/2,1]$. ###### Proof. Note that $-\Delta_{\theta}Y_{k,\ell}=k(k+n-2)Y_{k,\ell}$, then we have by Lemma 2.3 $\begin{split}\|f\|_{\dot{H}^{0}_{r}{H}^{s^{\prime}}_{\theta}}^{2}&\sim\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}(1+k)^{2s^{\prime}}\|a_{k,\ell}(r)\|_{L^{2}_{r^{n-1}\mathrm{d}r}(\R^{+})}^{2}\|Y_{k,\ell}(\theta)\|_{L_{\theta}^{2}}^{2}\\\ &\sim\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}(1+k)^{2s^{\prime}}\|b_{k,\ell}(\rho)\|_{L^{2}_{\rho^{n-1}\mathrm{d}\rho}(\R^{+})}^{2}.\end{split}$ By (2.3), it suffices to show (2.19) with $s^{\prime}=0$. By Lemma 2.3, we have $\displaystyle\|b_{k,\ell}(\rho)\chi(\frac{\rho}{M})\rho^{\frac{n-1}{2}}\|_{L_{\rho}^{2}}=$ $\displaystyle\big{\|}\chi(\frac{\rho}{M})\mathcal{H}_{\nu}\big{[}Y_{k,l}(\theta)a_{k,\ell}(r)\big{]}(\xi)\big{\|}_{L_{\xi}^{2}}$ $\displaystyle=$ $\displaystyle\Big{\|}\mathcal{H}_{\nu}\Big{[}\chi(\frac{\rho}{M})\mathcal{H}_{\nu}\big{(}Y_{k,l}(\theta)a_{k,\ell}(r)\big{)}(\xi)\Big{]}\Big{\|}_{L_{x}^{2}}.$ This yields that by letting let $j=\log_{2}M$ $\displaystyle\big{\|}b_{k,\ell}(\rho)\chi(\frac{\rho}{M})\rho^{\frac{n-1}{2}}\big{\|}_{L_{\rho}^{2}}=$ $\displaystyle\big{\|}\big{[}\mathcal{H}_{\nu}\chi(\frac{\rho}{M})\mathcal{H}_{\nu}\big{]}\big{(}Y_{k,l}(\theta)a_{k,\ell}(r)\big{)}\big{\|}_{L_{x}^{2}}$ $\displaystyle=$ $\displaystyle\big{\|}\tilde{P}_{j}\big{(}Y_{k,l}(\theta)a_{k,\ell}(r)\big{)}\big{\|}_{L_{x}^{2}}.$ Let $g_{k,\ell}(x)=Y_{k,l}(\theta)a_{k,\ell}(r)$ and $\overline{P_{j^{\prime}}}=P_{j^{\prime}-1}+P_{j^{\prime}}+P_{j^{\prime}+1}$. We have by the triangle inequality and Lemma 2.4 $\displaystyle\text{L.H.S of}~{}\eqref{2.18}$ $\displaystyle=\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{j\in\Z}2^{2sj}\big{\|}\tilde{P}_{j}g_{k,\ell}\big{\|}^{2}_{L_{x}^{2}}$ $\displaystyle\lesssim\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{j\in\Z}2^{2sj}\big{(}\sum_{j^{\prime}}\big{\|}\tilde{P}_{j}\overline{P_{j^{\prime}}}P_{j^{\prime}}g_{k,\ell}\big{\|}_{L_{x}^{2}}\big{)}^{2}$ $\displaystyle\lesssim\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{j\in\Z}2^{2sj}\big{(}\sum_{j^{\prime}}2^{-\epsilon|j-j^{\prime}|}\big{\|}P_{j^{\prime}}g_{k,\ell}\big{\|}_{L_{x}^{2}}\big{)}^{2},$ where $s<\epsilon<1+\min\\{\frac{n-2}{2},(\frac{(n-2)^{2}}{4}+a)^{\frac{1}{2}}\\}$. Let $0<\epsilon_{1}\ll 1$ such that $\epsilon_{2}:=\epsilon-\epsilon_{1}>s$, then $\begin{split}\text{L.H.S of}~{}\eqref{2.18}&\leq C\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{j\in\Z}2^{2js}\sum_{j^{\prime}}2^{-2\epsilon_{2}|j-j^{\prime}|}\|P_{j^{\prime}}g_{k,\ell}\|^{2}_{L^{2}(\R^{n})}\sum_{j^{\prime}}2^{-2\epsilon_{1}|j-j^{\prime}|}\\\ &\leq C\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{j^{\prime}}2^{2j^{\prime}s}\sum_{j\in\Z}2^{2js}2^{-2\epsilon_{2}|j|}\|P_{j^{\prime}}g_{k,\ell}\|^{2}_{L^{2}(\R^{n})}\\\ &\leq C\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{j^{\prime}}2^{2j^{\prime}s}\|P_{j^{\prime}}g_{k,\ell}\|^{2}_{L^{2}(\R^{n})}.\end{split}$ By the definition of $P_{j^{\prime}}$, Lemma 2.3 and (2.17), we have $\begin{split}\text{L.H.S of}~{}\eqref{2.18}&\leq C\sum_{j^{\prime}}2^{2j^{\prime}s}\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\big{\|}\chi(\frac{\rho}{2^{j^{\prime}}})\big{[}\mathcal{H}_{\mu(k)}a_{k,\ell}\big{]}(\rho)\rho^{\frac{n-1}{2}}\big{\|}^{2}_{L^{2}(\R^{+})}\\\ &=C\sum_{j^{\prime}}2^{2j^{\prime}s}\big{\|}\chi(\frac{\rho}{2^{j^{\prime}}})\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}2\pi i^{k}\big{[}\mathcal{H}_{\mu(k)}a_{k,\ell}\big{]}(\rho)Y_{k,\ell}(\omega)\big{\|}^{2}_{L^{2}(\R^{n})}\\\ &=C\sum_{j^{\prime}}2^{2j^{\prime}s}\big{\|}\chi(\frac{\rho}{2^{j^{\prime}}})\hat{f}\big{\|}^{2}_{L^{2}(\R^{n})}\sim\|f\|^{2}_{\dot{H}^{s}}.\end{split}$ We can use the similar argument to prove $\begin{split}\text{L.H.S of}~{}\eqref{2.18}&\geq c\|f\|^{2}_{\dot{H}^{s}}.\end{split}$ Therefore we conclude the proof of Lemma 2.4. ∎ ## 3\. Proof of the Main Theorems In this section, we first use the spherical harmonic expansion to write the solution as a linear combination of products of the Hankel transform of radial functions and spherical harmonics. We prove the main theorems by analyzing the property of the Hankel transform. The key ingredients are to use the stationary phase argument and to exploit the asymptotics behavior of the Bessel function. ### 3.1. The expression of the solution. Consider the following Cauchy problem: (3.1) $\begin{cases}i\partial_{t}u-\Delta u+\frac{a}{|x|^{2}}u=0,\\\ u(x,0)=u_{0}(x).\end{cases}$ We use the spherical harmonic expansion to write (3.2) $u_{0}(x)=\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}a^{0}_{k,\ell}(r)Y_{k,\ell}(\theta).$ Let us consider the equation (3.1) in polar coordinates. Write $v(t,r,\theta)=u(t,r\theta)$ and $g(r,\theta)=u_{0}(r\theta)$. Then $v(t,r,\theta)$ satisfies that (3.3) $\begin{cases}i\partial_{t}v-\partial_{rr}v-\frac{n-1}{r}\partial_{r}v-\frac{1}{r^{2}}\Delta_{\theta}v+\frac{a}{r^{2}}v=0\\\ v(0,r,\theta)=g(r,\theta).\end{cases}$ By (3.2), we have $g(r,\theta)=\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}a^{0}_{k,\ell}(r)Y_{k,\ell}(\theta).$ Using separation of variables, we can write $v$ as a linear combination of products of radial functions and spherical harmonics (3.4) $v(t,r,\theta)=\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}v_{k,\ell}(t,r)Y_{k,\ell}(\theta),$ where $v_{k,\ell}$ is given by $\begin{cases}i\partial_{t}v_{k,\ell}-\partial_{rr}v_{k,\ell}-\frac{n-1}{r}\partial_{r}v_{k,\ell}+\frac{k(k+n-2)+a}{r^{2}}v_{k,\ell}=0,\\\ v_{k,\ell}(0,r)=a^{0}_{k,\ell}(r)\end{cases}$ for each $k,\ell\in\N,~{}1\leq\ell\leq d(k)$. Then it reduces to consider by the definition of $A_{\nu(k)}$ (3.5) $\begin{cases}i\partial_{t}v_{k,\ell}+A_{\nu(k)}v_{k,\ell}=0,\\\ v_{k,\ell}(0,r)=a^{0}_{k,\ell}(r).\end{cases}$ Applying the Hankel transform to the equation (3.5), by $(\rm{iv})$ in Lemma 2.3, we have (3.6) $\begin{cases}i\partial_{t}\tilde{v}_{k,\ell}+\rho^{2}\tilde{v}_{k,\ell}=0\\\ \tilde{v}_{k,\ell}(0,\rho)=b^{0}_{k,\ell}(\rho),\end{cases}$ where (3.7) $\tilde{v}_{k,\ell}(t,\rho)=(\mathcal{H}_{\nu}v_{k,\ell})(t,\rho),\quad b^{0}_{k,\ell}(\rho)=(\mathcal{H}_{\nu}a^{0}_{k,\ell})(\rho).$ Solving this ODE and inverting the Hankel transform, we obtain $\begin{split}v_{k,\ell}(t,r)&=\int_{0}^{\infty}(r\rho)^{-\frac{n-2}{2}}J_{\nu(k)}(r\rho)\tilde{v}_{k,\ell}(t,\rho)\rho^{n-1}\mathrm{d}\rho\\\ &=\int_{0}^{\infty}(r\rho)^{-\frac{n-2}{2}}J_{\nu(k)}(r\rho)e^{it\rho^{2}}b^{0}_{k,\ell}(\rho)\rho^{n-1}\mathrm{d}\rho.\end{split}$ Therefore we get (3.8) $\begin{split}&u(x,t)=v(t,r,\theta)\\\ &=\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}Y_{k,\ell}(\theta)\int_{0}^{\infty}(r\rho)^{-\frac{n-2}{2}}J_{\nu(k)}(r\rho)e^{it\rho^{2}}b^{0}_{k,\ell}(\rho)\rho^{n-1}\mathrm{d}\rho\\\ &=\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}Y_{k,\ell}(\theta)\mathcal{H}_{\nu(k)}\big{[}e^{it\rho^{2}}b^{0}_{k,\ell}(\rho)\big{]}(r).\end{split}$ ### 3.2. Proof of the Theorem 1.1. In this subsection, we prove the Theorem 1.1. By the Sobolev embedding $\dot{H}^{\frac{1}{2}-}(\R)\cap\dot{H}^{\frac{1}{2}+}(\R)\hookrightarrow L^{\infty}(\R)$, it suffices to show ###### Proposition 3.1. Let $\alpha\geq\frac{1}{2}-\frac{\beta}{4}$ and $\beta=1+$ such that $2\alpha-1+\frac{\beta}{2}<1+\min\big{\\{}{(n-2)}/2,({(n-2)^{2}}/4+a)^{\frac{1}{2}}\big{\\}},$ then there exists a constant $C$ independent of $u_{0}$ such that (3.9) $\begin{split}\int_{\R^{n}}\int_{\R}|\partial_{t}^{\alpha}u(x,t)|^{2}\frac{\mathrm{d}t\mathrm{d}x}{(1+|x|)^{\beta}}\leq C\|u_{0}\|^{2}_{\dot{H}^{2\alpha-1+\frac{\beta}{2}}(\R^{n})}.\end{split}$ ###### Proof. By the Plancherel theorem with respect to time $t$, we obtain $\begin{split}&\int_{\R^{n}}\int_{\R}|\partial_{t}^{\alpha}u(x,t)|^{2}\frac{\mathrm{d}t\mathrm{d}x}{(1+|x|)^{\beta}}=\int_{\R^{n}}\int_{\R}\big{|}\tau^{\alpha}\int_{\R}e^{-it\tau}u(x,t)\mathrm{d}t\big{|}^{2}\frac{\mathrm{d}\tau\mathrm{d}x}{(1+|x|)^{\beta}}.\end{split}$ Using (3.8), we further have $\begin{split}&\text{L.H.S of}~{}\eqref{3.9}\\\ \lesssim&\int_{\R^{n+1}}\big{|}\tau^{\alpha}\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}Y_{k,\ell}(\theta)\int_{\R}\int_{0}^{\infty}(r\rho)^{-\frac{n-2}{2}}J_{\nu(k)}(r\rho)e^{it(\rho^{2}-\tau)}b^{0}_{k,\ell}(\rho)\rho^{n-1}\mathrm{d}\rho\mathrm{d}t\big{|}^{2}\frac{\mathrm{d}\tau\mathrm{d}x}{(1+|x|)^{\beta}}\\\ \lesssim&\int_{\R^{n+1}}\big{|}\tau^{\alpha}\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}Y_{k,\ell}(\theta)\int_{0}^{\infty}(r\rho)^{-\frac{n-2}{2}}J_{\nu(k)}(r\rho)b^{0}_{k,\ell}(\rho)\rho^{n-1}\delta(\tau-\rho^{2})\mathrm{d}\rho\big{|}^{2}\frac{\mathrm{d}\tau\mathrm{d}x}{(1+|x|)^{\beta}}\\\ \lesssim&\int_{\R^{n}}\int_{0}^{\infty}\big{|}\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}Y_{k,\ell}(\theta)\rho^{\alpha}(r\sqrt{\rho})^{-\frac{n-2}{2}}J_{\nu(k)}(r\sqrt{\rho})b^{0}_{k,\ell}(\sqrt{\rho})\rho^{\frac{n-1}{2}}\rho^{-\frac{1}{2}}\big{|}^{2}\frac{\mathrm{d}\rho\mathrm{d}x}{(1+|x|)^{\beta}}.\end{split}$ By the orthogonality, we see that (3.10) $\begin{split}&\text{L.H.S of}~{}\eqref{3.9}\\\ &\lesssim\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\int_{0}^{\infty}\int_{0}^{\infty}\big{|}\rho^{2\alpha+\frac{1}{2}}(r\rho)^{-\frac{n-2}{2}}J_{\nu(k)}(r\rho)b^{0}_{k,\ell}(\rho)\rho^{n-2}\big{|}^{2}\frac{\mathrm{d}\rho~{}r^{n-1}\mathrm{d}r}{(1+r)^{\beta}}.\end{split}$ Let $\chi$ be a smoothing function supported in $[1,2]$. For our purpose, we make a dyadic decomposition to obtain $\begin{split}&\text{L.H.S of}~{}\eqref{3.9}\\\ \lesssim&\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{M\in 2^{\Z}}\int_{0}^{\infty}\int_{0}^{\infty}\big{|}\rho^{2\alpha+\frac{1}{2}}(r\rho)^{-\frac{n-2}{2}}J_{\nu(k)}(r\rho)b^{0}_{k,\ell}(\rho)\rho^{n-2}\chi(\frac{\rho}{M})\big{|}^{2}\frac{r^{n-1}\mathrm{d}r\mathrm{d}\rho}{(1+r)^{\beta}}\\\ \lesssim&\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{M\in 2^{\Z}}M^{2(n-2+2\alpha+\frac{1}{2})+1-n}\int_{0}^{\infty}\int_{0}^{\infty}\big{|}(r\rho)^{-\frac{n-2}{2}}J_{\nu(k)}(r\rho)b^{0}_{k,\ell}(M\rho)\chi(\rho)\big{|}^{2}\frac{r^{n-1}\mathrm{d}r\mathrm{d}\rho}{(1+\frac{r}{M})^{\beta}}\\\ \lesssim&\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{M\in 2^{\Z}}\sum_{R\in 2^{\Z}}M^{n-2+4\alpha}R^{n-1}\int_{R}^{2R}\int_{0}^{\infty}\big{|}(r\rho)^{-\frac{n-2}{2}}J_{\nu(k)}(r\rho)b^{0}_{k,\ell}(M\rho)\chi(\rho)\big{|}^{2}\frac{\mathrm{d}r\mathrm{d}\rho}{(1+\frac{r}{M})^{\beta}}.\end{split}$ Define (3.11) $\begin{split}G_{k,\ell}(R,M)=\int_{R}^{2R}\int_{0}^{\infty}\big{|}(r\rho)^{-\frac{n-2}{2}}J_{\nu(k)}(r\rho)b^{0}_{k,\ell}(M\rho)\chi(\rho)\big{|}^{2}\frac{\mathrm{d}r\mathrm{d}\rho}{(1+\frac{r}{M})^{\beta}}.\end{split}$ ###### Proposition 3.2. We have the following inequality (3.12) $G_{k,\ell}(R,M)\lesssim\begin{cases}R^{2\nu(k)-n+3}M^{-n}\min\Big{\\{}1,\Big{(}\frac{M}{R}\Big{)}^{\beta}\Big{\\}}\|b^{0}_{k,\ell}(\rho)\chi(\frac{\rho}{M})\rho^{\frac{n-1}{2}}\|^{2}_{L^{2}},~{}R\lesssim 1;\\\ \min\Big{\\{}1,\Big{(}\frac{M}{R}\Big{)}^{\beta}\Big{\\}}R^{-(n-2)}M^{-n}\|b^{0}_{k,\ell}(\rho)\chi(\frac{\rho}{M})\rho^{\frac{n-1}{2}}\|^{2}_{L^{2}},~{}R\gg 1.\end{cases}$ ###### Proof. To prove (3.12), we break it into two cases. $\bullet$ Case 1: $R\lesssim 1$. Since $\rho\sim 1$, we have $r\rho\lesssim 1$. By the property of the Bessel function (2.5), we obtain (3.13) $\begin{split}G_{k,\ell}(R,M)&\lesssim\int_{R}^{2R}\int_{0}^{\infty}\Big{|}\frac{(r\rho)^{\nu(k)}(r\rho)^{-\frac{n-2}{2}}}{2^{\nu(k)}\Gamma(\nu(k)+\frac{1}{2})\Gamma(\frac{1}{2})}b^{0}_{k,\ell}(M\rho)\chi(\rho)\Big{|}^{2}\mathrm{d}\rho\frac{\mathrm{d}r}{(1+\frac{r}{M})^{\beta}}\\\ &\lesssim R^{2\nu(k)-n+3}M^{-n}\min\Big{\\{}1,\Big{(}\frac{M}{R}\Big{)}^{\beta}\Big{\\}}\|b^{0}_{k,\ell}(\rho)\chi(\frac{\rho}{M})\rho^{\frac{n-1}{2}}\|^{2}_{L^{2}}.\end{split}$ $\bullet$ Case 2: $R\gg 1$. Since $\rho\sim 1$, we have $r\rho\gg 1$. We estimate (3.14) $\begin{split}G_{k,\ell}(R,M)&\lesssim R^{-(n-2)}\int_{0}^{\infty}\big{|}b^{0}_{k,\ell}(M\rho)\chi(\rho)\big{|}^{2}\int_{R}^{2R}\big{|}J_{\nu(k)}(r\rho)\big{|}^{2}\frac{\mathrm{d}r}{(1+\frac{r}{M})^{\beta}}\mathrm{d}\rho.\end{split}$ $(i)$ Subcase: $R\lesssim M$. Noting that $\rho\sim 1$, we obtain by Lemma 2.2 (3.15) $\begin{split}\int_{R}^{2R}\big{|}J_{\nu(k)}(r\rho)\big{|}^{2}\frac{\mathrm{d}r}{(1+\frac{r}{M})^{\beta}}\lesssim\int_{R}^{2R}\big{|}J_{\nu(k)}(r\rho)\big{|}^{2}\mathrm{d}r\lesssim 1.\end{split}$ $(ii)$ Subcase: $R\gg M$. Noticing that $\rho\sim 1$ again, we obtain by Lemma 2.2 (3.16) $\begin{split}\int_{R}^{2R}\big{|}J_{\nu(k)}(r\rho)\big{|}^{2}\frac{\mathrm{d}r}{(1+\frac{r}{M})^{\beta}}\lesssim\Big{(}\frac{M}{R}\Big{)}^{\beta}\int_{R}^{2R}\big{|}J_{\nu(k)}(r\rho)\big{|}^{2}\mathrm{d}r\lesssim\Big{(}\frac{M}{R}\Big{)}^{\beta}.\end{split}$ Putting (3.15) and (3.16) into (3.14), we have $\begin{split}G_{k,\ell}(R,M)&\lesssim\min\Big{\\{}1,\Big{(}\frac{M}{R}\Big{)}^{\beta}\Big{\\}}R^{-(n-2)}\int_{0}^{\infty}\big{|}b^{0}_{k,\ell}(M\rho)\chi(\rho)\big{|}^{2}\mathrm{d}\rho\\\ &\lesssim\min\Big{\\{}1,\Big{(}\frac{M}{R}\Big{)}^{\beta}\Big{\\}}R^{-(n-2)}M^{-n}\|b^{0}_{k,\ell}(\rho)\chi(\frac{\rho}{M})\rho^{\frac{n-1}{2}}\|^{2}_{L^{2}}.\end{split}$ Thus we prove (3.12). ∎ Now we return to prove Proposition 3.1. By Proposition 3.2, we show $\begin{split}&\int_{\R^{n}}\int_{\R}|\partial_{t}^{\alpha}u(x,t)|^{2}\frac{\mathrm{d}t\mathrm{d}x}{(1+|x|)^{\beta}}\\\ &\lesssim\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{M\in 2^{\Z}}\sum_{\\{R\in 2^{\Z}:R\lesssim 1\\}}M^{4\alpha-2}R^{2(\nu(k)+1)}\min\Big{\\{}1,\Big{(}\frac{M}{R}\Big{)}^{\beta}\Big{\\}}\|b^{0}_{k,\ell}(\rho)\chi(\frac{\rho}{M})\rho^{\frac{n-1}{2}}\|^{2}_{L^{2}}\\\ &+\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{M\in 2^{\Z}}\sum_{\\{R\in 2^{\Z}:R\gg 1\\}}M^{4\alpha-2+\beta}R^{1-\beta}\|b^{0}_{k,\ell}(\rho)\chi(\frac{\rho}{M})\rho^{\frac{n-1}{2}}\|^{2}_{L^{2}}.\end{split}$ From $\beta=1+$, one has $\begin{split}&\sum_{M\in 2^{\Z}}\sum_{\\{R\in 2^{\Z}:R\lesssim 1\\}}M^{4\alpha-2}R^{2(\nu(k)+1)}\min\Big{\\{}1,\Big{(}\frac{M}{R}\Big{)}^{\beta}\Big{\\}}\|b^{0}_{k,\ell}(\rho)\chi(\frac{\rho}{M})\rho^{\frac{n-1}{2}}\|^{2}_{L^{2}}\\\ &\lesssim\sum_{M\in 2^{\Z}}M^{4\alpha-2+\beta}\|b^{0}_{k,\ell}(\rho)\chi(\frac{\rho}{M})\rho^{\frac{n-1}{2}}\|^{2}_{L^{2}}.\end{split}$ Since $\alpha\geq\frac{1}{2}-\frac{\beta}{4}$, we have by Lemma 2.5 $\begin{split}\int_{\R^{n}}\int_{\R}|\partial_{t}^{\alpha}u(x,t)|^{2}\frac{\mathrm{d}t\mathrm{d}x}{(1+|x|)^{\beta}}&\lesssim\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\sum_{M\in 2^{\Z}}M^{4\alpha-2+\beta}\|b^{0}_{k,\ell}(\rho)\chi(\frac{\rho}{M})\rho^{\frac{n-1}{2}}\|^{2}_{L^{2}}\\\ &\leq C\|u_{0}\|^{2}_{\dot{H}^{2\alpha-1+\frac{\beta}{2}}(\R^{n})}.\end{split}$ ∎ Finally, we apply Proposition 3.1 with $\alpha=\frac{1}{2}+$ and $\alpha=\frac{1}{2}-$ to prove Theorem 1.1. ### 3.3. Proof of Theorem 1.2. In this subsection, we construct an example to show Theorem 1.2. The main idea is the stationary phase argument. By (3.8), we recall (3.17) $\begin{split}&u(x,t)=\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}Y_{k,\ell}(\theta)\int_{0}^{\infty}(r\rho)^{-\frac{n-2}{2}}J_{\nu(k)}(r\rho)e^{it\rho^{2}}b^{0}_{k,\ell}(\rho)\rho^{n-1}\mathrm{d}\rho,\end{split}$ where $b^{0}_{k,\ell}(\rho)=(\mathcal{H}_{\nu}a^{0}_{k,\ell})(\rho),\quad u_{0}(x)=u_{0}(r\theta)=\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}a^{0}_{k,\ell}(r)Y_{k,\ell}(\theta).$ In particular we choose $u_{0}(x)$ to be a radial function such that $(\mathcal{H}_{\nu(0)}u_{0})(\xi)=\chi_{N}(|\xi|)$ where $\chi_{N}$ is a smooth positive function supported in $J_{N}$ (to be chosen later) and $N\gg 1$. Then (3.18) $\begin{split}&u(x,t)=\int_{0}^{\infty}(r\rho)^{-\frac{n-2}{2}}J_{\nu(0)}(r\rho)e^{it\rho^{2}}\chi_{N}(\rho)\rho^{n-1}\mathrm{d}\rho.\end{split}$ Recalling the asymptotic expansion about the Bessel function $J_{\nu}(r)=r^{-1/2}\sqrt{\frac{2}{\pi}}\cos(r-\frac{\nu\pi}{2}-\frac{\pi}{4})+O_{\nu}(r^{-3/2}),\quad\text{as}~{}r\rightarrow\infty$ with a constant depending on $\nu$ (see [21]), then we can write (3.19) $\begin{split}u(x,t)&={C_{\nu}}\int_{0}^{\infty}(r\rho)^{-\frac{n-1}{2}}\big{(}e^{i(r\rho-\frac{\nu\pi}{2}-\frac{\pi}{4})}-e^{-i(r\rho-\frac{\nu\pi}{2}-\frac{\pi}{4})}\big{)}e^{it\rho^{2}}\chi_{N}(\rho)\rho^{n-1}\mathrm{d}\rho\\\ &+C_{\nu}\int_{0}^{\infty}(r\rho)^{-\frac{n-2}{2}}O_{\nu}\big{(}(r\rho)^{-\frac{3}{2}}\big{)}e^{it\rho^{2}}\chi_{N}(\rho)\rho^{n-1}\mathrm{d}\rho.\end{split}$ Let us define (3.20) $I_{1}(r)=C_{\nu}e^{i(\frac{\nu\pi}{2}+\frac{\pi}{4})}\int_{0}^{\infty}(r\rho)^{-\frac{n-1}{2}}e^{i(-r\rho+t\rho^{2})}\chi_{N}(\rho)\rho^{n-1}\mathrm{d}\rho,$ (3.21) $I_{2}(r)=C_{\nu}e^{-i(\frac{\nu\pi}{2}+\frac{\pi}{4})}\int_{0}^{\infty}(r\rho)^{-\frac{n-1}{2}}e^{i(r\rho+t\rho^{2})}\chi_{N}(\rho)\rho^{n-1}\mathrm{d}\rho,$ and (3.22) $I_{3}(r)=C_{\nu}\int_{0}^{\infty}(r\rho)^{-\frac{n-2}{2}}O_{\nu}\big{(}(r\rho)^{-\frac{3}{2}}\big{)}e^{it\rho^{2}}\chi_{N}(\rho)\rho^{n-1}\mathrm{d}\rho.$ Let $\phi_{r}(\rho)=t\rho^{2}-r\rho$. The fundamental idea is to choose sets $J_{N}$ and $E\subset B^{n}$, in which $t(r)$ can be chosen, so that $\partial_{\rho}\phi_{r}(\rho)=2t(r)\rho-r$ almost vanishes for all $\rho\in J_{N}$ and $r\in\\{|x|:x\in E\\}$. To this end, we choose $E=\\{x:\frac{1}{100}\leq|x|\leq\frac{1}{8}\\}~{}~{}\text{and}~{}~{}J_{N}=[N,N+2N^{\frac{1}{2}}].$ Choose $t(r)=\frac{r}{2(N+\sqrt{N})}$, then $\partial_{\rho}\phi_{r}(N+N^{\frac{1}{2}})=0$. Thus (3.23) $I_{1}(r)=C_{\nu}e^{i(\frac{\nu\pi}{2}+\frac{\pi}{4})}e^{i\phi_{r}(N+\sqrt{N})}\int_{0}^{\infty}(r\rho)^{-\frac{n-1}{2}}e^{\frac{ir[\rho-(N+\sqrt{N})]^{2}}{2(N+\sqrt{N})}}\chi_{N}(\rho)\rho^{n-1}\mathrm{d}\rho.$ Observe that (3.24) $|I_{1}(r)|\geq{c_{\nu}}\int_{0}^{\infty}(r\rho)^{-\frac{n-1}{2}}\cos{\big{(}\frac{r[\rho-(N+\sqrt{N})]^{2}}{2(N+\sqrt{N})}\big{)}}\chi_{N}(\rho)\rho^{n-1}\mathrm{d}\rho.$ Moreover, there exists a small constant $c>0$ such that $\cos{\big{(}\frac{r[\rho-(N+\sqrt{N})]^{2}}{2(N+\sqrt{N})}\big{)}}\geq c,$ since $|\frac{r[\rho-(N+\sqrt{N})]^{2}}{2(N+\sqrt{N})}|\leq\frac{\pi}{4}$ for all $\rho\in J_{N}$ with $N\gg 1$ and $r\in[\frac{1}{100},\frac{1}{8}]$. Therefore, (3.25) $|I_{1}(r)|\geq c_{\nu}r^{-\frac{n-1}{2}}\int_{0}^{\infty}\chi_{N}(\rho)\rho^{\frac{n-1}{2}}\mathrm{d}\rho\geq c_{\nu}r^{-\frac{n-1}{2}}N^{\frac{n}{2}}.$ On the other hand, let $\varphi_{r}(\rho)=t\rho^{2}+r\rho$, $t=t(r)$ as before, then $\partial_{\rho}\varphi_{r}(\rho)=2t(r)\rho+r\geq\frac{1}{200}$ when $\rho\in J_{N}$ and $r\in[\frac{1}{100},\frac{1}{8}]$. From the integral by parts, we obtain (3.26) $|I_{2}(r)|\leq C_{\nu}r^{-\frac{n}{2}}N^{\frac{n-2}{2}}.$ Obviously, we have (3.27) $|I_{3}(r)|\leq C_{\nu}r^{-\frac{n}{2}}N^{\frac{n-2}{2}}.$ Combining (3.25)-(3.27), we get for $N\gg 1$ and $r\in[\frac{1}{100},\frac{1}{8}]$ (3.28) $u^{*}(x)\geq cN^{\frac{n}{2}}.$ On the other hand, let $j_{0}=\log_{2}N$, then we obtain by the definition of $P_{j}$ and $\tilde{P}_{j}$ $\|u_{0}(x)\|^{2}_{H^{s}}=\sum_{j}2^{2js}\|P_{j}u_{0}\|^{2}_{L^{2}}=\sum_{j}2^{2js}\|P_{j}\tilde{P}_{j_{0}}u_{0}\|^{2}_{L^{2}}.$ By Lemma 2.4, we choose $s<\epsilon<1+\min\\{\frac{n-2}{2},(\frac{(n-2)^{2}}{4}+a)^{\frac{1}{2}}\\}$ to obtain (3.29) $\begin{split}\|u_{0}(x)\|^{2}_{H^{s}}&\leq C\sum_{j}2^{2js-2\epsilon|j-j_{0}|}\|u_{0}\|^{2}_{L^{2}}\\\ &=CN^{2s}\sum_{j}2^{2js-2\epsilon|j|}\|\chi_{N}\|^{2}_{L^{2}}=N^{2s+n-\frac{1}{2}}.\end{split}$ Thus, by (1.5) and (3.28), we must have $s\geq 1/4$. ### 3.4. Proof of the Theorem 1.3. In this subsection, we show Theorem 1.3. Even though there is a loss of the angular regularity in Theorem 1.3, the result implies the sharp result for the radial initial data. The key ingredient here is the following lemma proved in [9]: ###### Lemma 3.1. Let $\tilde{J}_{\nu}(s)=s^{\frac{1}{2}}J_{\nu}(s)$ with $s\geq 0$, and let (3.30) $\begin{split}T_{\nu}g(r)=\int_{I}\frac{e^{it(r)\rho^{2}}\tilde{J}_{\nu}(r\rho)}{\rho^{\frac{1}{4}}}g(\rho)\mathrm{d}\rho.\end{split}$ Then (3.31) $\begin{split}\int_{0}^{1}\big{|}T_{\nu}g(r)\big{|}^{2}\mathrm{d}r\leq C\int_{I}|g(\rho)|^{2}\mathrm{d}\rho,\end{split}$ where the constant $C$ is independent of $g\in L^{2}(I)$, of the interval $I$, of the measurable function $t(r)$ and of the order $\nu\geq 0$. We also can follow the Carleson approach [5] to linearize our maximal operator, by making t into a function of $r$, $t(r)$. By the triangle inequality, we estimate $\begin{split}\|u^{*}(x)\|_{L^{2}(B^{n})}\leq C\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\Big{\|}\int_{0}^{\infty}(r\rho)^{-\frac{n-2}{2}}J_{\nu(k)}(r\rho)e^{it(r)\rho^{2}}b^{0}_{k,\ell}(\rho)\rho^{n-1}\mathrm{d}\rho\Big{\|}_{L^{2}_{r^{n-1}\mathrm{d}r}}.\end{split}$ Let $g(\rho)=b^{0}_{k,\ell}(\rho)\rho^{\frac{n-1}{2}+\frac{1}{4}}$, then (3.32) $\begin{split}\|u^{*}(x)\|_{L^{2}(B^{n})}\lesssim\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\Big{\|}\int_{0}^{\infty}\tilde{J}_{\nu(k)}(r\rho)e^{it(r)\rho^{2}}\rho^{-\frac{1}{4}}g(\rho)\mathrm{d}\rho\Big{\|}_{L^{2}_{r}([0,1])}.\end{split}$ Using Lemma 3.1, we obtain (3.33) $\begin{split}\|u^{*}(x)\|_{L^{2}(B^{n})}\lesssim C\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}\Big{\|}b^{0}_{k,\ell}(\rho)\rho^{\frac{n-1}{2}+\frac{1}{4}}\Big{\|}_{L^{2}_{\rho}(\R^{+})}.\end{split}$ Let $\alpha=(n-1)/2+\epsilon$ with $\epsilon>0$, we have by the Cauchy-Schwarz inequality $\begin{split}\|u^{*}(x)\|_{L^{2}(B^{n})}\leq C\Big{(}\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}(1+k)^{-2\alpha}\Big{)}^{\frac{1}{2}}\Big{(}\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}(1+k)^{2\alpha}\Big{\|}b^{0}_{k,\ell}(\rho)\rho^{\frac{n-1}{2}+\frac{1}{4}}\Big{\|}^{2}_{L^{2}_{\rho}(\R^{+})}\Big{)}^{\frac{1}{2}}.\end{split}$ Since $d(k)\simeq\langle k\rangle^{n-2}$, we have by Lemma 2.5 $\begin{split}\|u^{*}(x)\|_{L^{2}(B^{n})}&\lesssim\Big{(}\sum_{k=0}^{\infty}\sum_{\ell=1}^{d(k)}(1+k)^{2\alpha}\Big{\|}b^{0}_{k,\ell}(\rho)\rho^{\frac{n-1}{2}+\frac{1}{4}}\Big{\|}^{2}_{L^{2}_{\rho}(\R^{+})}\Big{)}^{\frac{1}{2}}\lesssim\|u_{0}\|_{H^{\frac{1}{4}}_{r}H^{\alpha}_{\theta}}.\end{split}$ This completes the proof of Theorem 1.3. ## References * [1] J. Bourgain, Some new estimates on oscillatory integrals, Essays on Fourier Analysis in Honor of E. M. Stein (Princeton, NJ, 1991), Princeton Math. Ser., vol. 42, Princeton Univ. Press, Princeton, NJ, (1995), 83-112. * [2] J. Bourgain, On the Schrödinger maximal function in higher dimension, Proceedings of the Steklov Institute of Mathematics, 280(2013), 46-60. * [3] N. Burq, F. Planchon, J. Stalker and A. S. Tahvildar-Zadeh, Strichartz estimates for the wave and Schrödinger equations with the inverse-square potential, J. Funct. Anal. 203 (2003), 519-549. * [4] N. Burq, F. Planchon, J. Stalker and A. S. Tahvildar-Zadeh, Strichartz estimates for the wave and Schrödinger equations with potentials of critical decay, Indiana Univ. Math. J. 53(2004), 1665-1680. * [5] L. Carleson, Some analytic problems related to statistical mechanics, Euclidean harmonic analysis (Proc. Sem., Univ. Maryland, College Park, Md., 1979), Lecture Notes in Math. Vol. 779, Springer Berlin, 1980, 5-45. * [6] Y. Cho, S. Lee and Y. Shim, A maximal inequality associated to Schrödinger type equation, Hokkaido Mathematical J. 35 (2006) 767-778. * [7] B. E. J. Dahlberg and C. E. Kenig, A note on the almost everywhere behavior of solutions to the Schrödinger equation, Harmonic Analysis (Minneapolis, Minn, 1981), Lecture Notes in Math. vol. 908, Springer Berlin, 1982, 205-209. * [8] J. Cheeger, M. Taylor, On the diffraction of waves by conical singularities I, Comm. Pure Appl. Math., 35(1982), 275-331. * [9] G. Gigante and F. Soria, On the the boundedness in $H^{1/4}$ of the maximal square function associated with the Schrödinger equation, J. Lond. Math. Soc. 77 (2008), 51-68. * [10] H. Kalf, U. W. Schmincke, J. Walter and R. Wüst, On the spectral theory of Schrödinger and Dirac operators with strongly singular potentials. In Spectral theory and differential equations, 182-226. Lect. Notes in Math., 448 (1975) Springer, Berlin. * [11] S. Lee, On pointwise convergence of the solution to Schrödinger equations in $\R^{2}$, Int. Math. Res. Not. (2006) 1-21. * [12] A. Moyua, A. Vargas and L. Vega, Schrödinger maximal function and restriction properties of the Fourier transform, Int. Math. Res. Not. 16 (1996) 793-815. * [13] C. Miao, J. Zhang and J. Zheng, Strichartz estimates for wave equation with inverse square potential, Commun. Contemp. Math., DOI: 10.1142/S0219199713500260. * [14] C. Miao, J. Zhang and J. Zheng, Linear Adjoint Restriction Estimates for Paraboloid, Preprint. * [15] S. Machihara, M. Nakamura, K. Nakanishi and T. Ozawa, Endpoint Strichartz estimates and global solutions for the nonlinear Dirac equation, J. Func. Anal. 219(2005) 1-20. * [16] F. Planchon, J. Stalker and A. S. Tahvildar-Zadeh, $L^{p}$ estimates for the wave equation with the inverse-square potential, Discrete Contin. Dynam. Systems, 9(2003), 427-442. * [17] F. Planchon, J. Stalker and A. S. Tahvildar-Zadeh, Dispersive estimate for the wave equation with the inverse-square potential. Discrete Contin. Dynam. Systems, 9(2003), 1387-1400. * [18] K. Stempak, A Weighted uniform $L^{p}$ estimate of Bessel functions: A note on a paper of Guo, Proceedings of the AMS. 128 (2000) 2943-2945. * [19] E.M. Stein, Some problems in harmonic analysis, Harmonic analysis in Euclidean spaces (Proc. Sympos. Pure Math., Williams Coll. Williamstown, Mass., 1978), 3-20. * [20] E.M. Stein, Harmonic Analysis: Real Variable Methods, Orthogonality and Oscillatory Integrals, Princeton Mathematical Series, 43(1993), Princeton University Press, Princeton, N.J. * [21] E.M. Stein and G. Weiss, Introduction to Fourier analysis on Euclidean spaces, Princeton Mathematical Series, 32 (1971), Princeton University Press, Princeton, N. J. * [22] P. Sjölin, Regularity of solutions to the Schrödinger equation, Duke Math. J. 55 (1987), 699-715. * [23] S. Shao, On localization of the Schrödinger maximal operator, Arxiv: 1006.2787v1. * [24] T. Tao, A sharp bilinear restrictions estimate for paraboloids, Geom. Funct. Anal. 13 (2003), 1359-1384. * [25] T. Tao and A. Vargas, A bilinear approach to cone multipliers and applications. II, Geom. Funct. Anal. 10 (2000), 216-258. * [26] G. N. Watson, A Treatise on the Theory of Bessel Functions. Second Edition Cambridge University Press, (1944). * [27] L. Vega, Schrödinger equations: pointwise convergence to the initial data, Proc. of the AMS 102 (1988), 874-878. * [28] J. L. Vazquez and E. Zuazua, The Hardy inequality and the asymptotic behaviour of the heat equation with an inverse-square potential, J. Func. Anal., 173(2000) 103-153.
arxiv-papers
2014-02-24T08:31:59
2024-09-04T02:49:58.699530
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Changxing Miao, Junyong Zhang and Jiqiang Zheng", "submitter": "Junyong Zhang", "url": "https://arxiv.org/abs/1402.5746" }
1402.5786
# Integrated and Differentiated Sequence Spaces Murat Kirişci Department of Mathematical Education, Hasan Ali Yücel Education Faculty, Istanbul University, Vefa, 34470, Fatih, Istanbul, Turkey [email protected], [email protected] ###### Abstract. In this paper, we investigate integrated and differentiated sequence spaces which emerge from the concept of the space $bv$ of sequences of bounded variation.The integrated and differentiated sequence spaces which was initiated by Goes and Goes [4]. The main propose of the present paper, we study of matrix domains and some properties of the integrated and differentiated sequence spaces. In section 3, we compute the alpha-, beta- and gamma duals of these spaces. Afterward, we characterize the matrix classes of these spaces with well-known sequence spaces. ###### Key words and phrases: Matrix transformations, sequence spaces, $BK$-space, dual spaces, Schauder basis, $AK$-property ###### 2010 Mathematics Subject Classification: Primary 46A45; Secondary 46A35, 46B15. This work was supported by Scientific Projects Coordination Unit of Istanbul University. Project number 34465. ## 1\. Introduction The set of all sequences denotes with $\omega:=\mathbb{C}^{\mathbb{N}}:=\\{x=(x_{k}):x:\mathbb{N}\rightarrow\mathbb{C},k\rightarrow x_{k}:=x(k)\\}$ where $\mathbb{C}$ denotes the complex field and $\mathbb{N}=\\{0,1,2,\ldots\\}$. Each linear subspace of $\omega$ (with the induced addition and scalar multiplication) is called a _sequence space_. The following subsets of $\omega$ are obviously sequence spaces:$\ell_{\infty}=\\{x=(x_{k})\in\omega:\sup_{k}|x_{k}|<\infty\\}$, $c=\\{x=(x_{k})\in\omega:\lim_{k}x_{k}~{}\textrm{ exists}~{}\\}$, $c_{0}=\\{x=(x_{k})\in\omega:\lim_{k}x_{k}=0\\}$, $bs=\\{x=(x_{k})\in\omega:\sup_{n}|\sum_{k=1}^{n}x_{k}|<\infty\\}$, $cs=\\{x=(x_{k})\in\omega:(\sum_{k=1}^{n}x_{k})\in c\\}$ and $\ell_{p}=\\{x=(x_{k})\in\omega:\sum_{k}|x_{k}|^{p}<\infty,\quad 1\leq p<\infty\\}$. These sequence spaces are Banach space with the following norms; $\|x\|_{\ell_{\infty}}=\sup_{k}|x_{k}|$, $\|x\|_{bs}=\|x\|_{cs}=\sup_{n}|\sum_{k=1}^{n}x_{k}|$ and $\|x\|_{\ell_{p}}=\left(\sum_{k}|x_{k}|^{p}\right)^{1/p}$ as usual, respectively. And also the concept of integrated and differentiated sequence spaces was employed as $\int X=\left\\{x=(x_{k})\in\omega:(kx_{k})\in X\right\\}$ and $d(X)=\left\\{x=(x_{k})\in\omega:(k^{-1}x_{k})\in X\right\\}$ in [4]. A sequence, whose $k-th$ term is $x_{k}$, is denoted by $x$ or $(x_{k})$. _A coordinate space_ (or _$K-$ space_) is a vector space of numerical sequences, where addition and scalar multiplication are defined pointwise. That is, a sequence space $X$ with a linear topology is called a $K$-space provided each of the maps $p_{i}:X\rightarrow\mathbb{C}$ defined by $p_{i}(x)=x_{i}$ is continuous for all $i\in\mathbb{N}$. A $BK-$space is a $K-$space, which is also a Banach space with continuous coordinate functionals $f_{k}(x)=x_{k}$, $(k=1,2,...)$. A $K-$space $K$ is called an _$FK-$ space_ provided $\lambda$ is a complete linear metric space. An _$FK-$ space_ whose topology is normable is called a _$BK-$ space_. If a normed sequence space $X$ contains a sequence $(b_{n})$ with the property that for every $x\in X$ there is unique sequence of scalars $(\alpha_{n})$ such that $\displaystyle\lim_{n\rightarrow\infty}\|x-(\alpha_{0}b_{0}+\alpha_{1}b_{1}+...+\alpha_{n}b_{n})\|=0$ then $(b_{n})$ is called _Schauder basis_ (or briefly basis) for $X$. The series $\sum\alpha_{k}b_{k}$ which has the sum $x$ is then called the expansion of $x$ with respect to $(b_{n})$, and written as $x=\sum\alpha_{k}b_{k}$. An _$FK-$ space_ $X$ is said to have $AK$ property, if $\phi\subset X$ and $\\{e^{k}\\}$ is a basis for $X$, where $e^{k}$ is a sequence whose only non-zero term is a $1$ in $k^{th}$ place for each $k\in\mathbb{N}$ and $\phi=span\\{e^{k}\\}$, the set of all finitely non-zero sequences. Let $X$ and $Y$ be two sequence spaces, and $A=(a_{nk})$ be an infinite matrix of complex numbers $a_{nk}$, where $k,n\in\mathbb{N}$. Then, we say that $A$ defines a matrix mapping from $X$ into $Y$, and we denote it by writing $A:X\rightarrow Y$ if for every sequence $x=(x_{k})\in X$. The sequence $Ax=\\{(Ax)_{n}\\}$, the $A$-transform of $x$, is in $Y$; where (1.1) $\displaystyle(Ax)_{n}=\sum_{k}a_{nk}x_{k}~{}\textrm{ for each }~{}n\in\mathbb{N}.$ For simplicity in notation, here and in what follows, the summation without limits runs from $1$ to $\infty$. By $(X:Y)$, we denote the class of all matrices $A$ such that $A:X\rightarrow Y$. Thus, $A\in(X:Y)$ if and only if the series on the right side of (1.1) converges for each $n\in\mathbb{N}$ and each $x\in X$ and we have $Ax=\\{(Ax)_{n}\\}_{n\in\mathbb{N}}\in Y$ for all $x\in X$. A sequence $x$ is said to be $A$-summable to $l$ if $Ax$ converges to $l$ which is called the $A$-limit of $x$. Let $X$ is a sequence space and $A$ is an infinite matrix. The sequence space (1.2) $\displaystyle X_{A}=\\{x=(x_{k})\in\omega:Ax\in X\\}$ is called the matrix domain of $X$ which is a sequence space(for several examples of matrix domains, see [2] p. 49-176). By $\mathcal{F}$, we will denote the collection of all finite subsets on $\mathbb{N}$. In [3], Başar and Altay have defined the sequence space $bv_{p}$ which consists of all sequences such that $\Delta$-transforms of them are in $\ell_{p}$ where $\Delta$ denotes the matrix $\Delta=(\delta_{nk})$ $\displaystyle\delta_{nk}=\left\\{\begin{array}[]{ccl}(-1)^{n-k}&,&\quad(n-1\leq k\leq n)\\\ 0&,&\quad(0\leq k<n-1~{}\textrm{ or }~{}k>n)\end{array}\right.$ for all $k,n\in\mathbb{N}$. And also we define the matrices $\Gamma=(\gamma_{nk})$ and $\Sigma=(\sigma_{nk})$ by (1.7) $\displaystyle\gamma_{nk}=\left\\{\begin{array}[]{ccl}k&,&\quad(n=k)\\\ -k&,&\quad(n-1=k)\\\ 0&,&\quad(other)\end{array}\right.$ (1.11) $\displaystyle\sigma_{nk}=\left\\{\begin{array}[]{ccl}\frac{1}{k}&,&\quad(n=k)\\\ -\frac{1}{k}&,&\quad(n-1=k)\\\ 0&,&\quad(other)\end{array}\right.$ The integrated and differentiated sequence spaces which was initiated by Goes and Goes [4]. In the present paper, we study of matrix domains and some properties of the integrated and differentiated sequence spaces. In section 3, we compute the alpha-, beta- and gamma duals of these spaces. Afterward, we characterize matrix classes of these spaces with well-known sequence spaces. ## 2\. The Sequence Spaces $\int bv$ and $d(bv)$ The integrated spaces defined by $\displaystyle\int\ell_{1}$ $\displaystyle=$ $\displaystyle\left\\{x=(x_{k})\in\omega:\sum_{k}|k.x_{k}|<\infty\right\\}$ $\displaystyle\int bv$ $\displaystyle=$ $\displaystyle\left\\{x=(x_{k})\in\omega:\sum_{k}|k.x_{k}-(k-1).x_{k-1}|<\infty\right\\}$ and the differentiated spaces defined by $\displaystyle d(\ell_{1})$ $\displaystyle=$ $\displaystyle\\{x=(x_{k})\in\omega:\sum_{k}|k^{-1}.x_{k}|<\infty\\}$ $\displaystyle d(bv)$ $\displaystyle=$ $\displaystyle\\{x=(x_{k})\in\omega:\sum_{k}|k^{-1}.x_{k}-(k-1)^{-1}.x_{k-1}|<\infty\\}.$ Consider the notation (1.2) and the matrices (1.7), (1.11). From here, we can re-define the spaces $\int bv$ and $d(bv)$ by (2.1) $\displaystyle\left(\int\ell_{1}\right)_{\Delta}=\int bv~{}\textrm{ or }~{}\left(\ell_{1}\right)_{\Gamma}=\int bv$ and (2.2) $\displaystyle\left[d(\ell_{1})\right]_{\Delta}=d(bv)~{}\textrm{ or }~{}\left(\ell_{1}\right)_{\Sigma}=d(bv).$ Let $x=(x_{k})\in\int bv$ and $\Delta x_{k}=x_{k}-x_{k-1}$. The $\Gamma-$transform of a sequence $x=(x_{k})$ is defined by (2.5) $\displaystyle y_{k}=(\Gamma x)_{k}=\left\\{\begin{array}[]{ccl}x_{1}&,&\quad k=1\\\ \Delta(kx_{k})&,&\quad k\geq 2\end{array}\right.$ where $\Gamma$ is defined by (1.7). Let $x=(x_{k})\in d(bv)$ and $\Delta x_{k}=x_{k}-x_{k-1}$. The $\Sigma-$transform of a sequence $x=(x_{k})$ is defined by (2.8) $\displaystyle y_{k}=(\Sigma x)_{k}=\left\\{\begin{array}[]{ccl}x_{2}/2&,&\quad k=2\\\ \Delta(k^{-1}x_{k})&,&\quad k\geq 3\end{array}\right.$ where $\Sigma$ is defined by (1.11). ###### Theorem 2.1. The spaces $\int\ell_{1}$ and $d(\ell_{1})$ are $BK-$spaces with the norms $\|x\|_{\int\ell_{1}}=\sum_{k}|kx_{k}|$ and $\|x\|_{d(\ell_{1})}=\sum_{k}|k^{-1}x_{k}|$, respectively. ###### Proof. Let $x=(x_{k})\in\int\ell_{1}$. We define $f_{k}(x)=x_{k}$ for all $k\in\mathbb{N}$. Then, we have $\displaystyle\|x\|_{\int\ell_{1}}=1.|x_{1}|+2.|x_{2}|+3.|x_{3}|+\cdots+k.|x_{k}|+\cdots$ Hence $k.|x_{k}|\leq\|x\|_{\int\ell_{1}}\Rightarrow|x_{k}|\leq K.\|x\|_{\int\ell_{1}}\Rightarrow|f_{k}(x)|\leq K.\|x\|_{\int\ell_{1}}$. Then, $f_{k}$ is continuous linear functional for each $k$. Thus $\int\ell_{1}$ is a $BK-$space. In a similar way, we can prove that the space $d(\ell_{1})$ is a $BK-$spaces. ∎ ###### Lemma 2.2. [4] The space $\int bv$ is a $BK-$space with the norm $\|x\|_{\int bv}=\sum_{k}|\Delta(kx_{k})|$. ###### Theorem 2.3. The space $d(bv)$ is a $BK-$space with the norm $\|x\|_{d(bv)}=\sum_{k}|\Delta(k^{-1}x_{k})|$. ###### Proof. Since $d(bv)=\left[d(\ell_{1})\right]_{\Delta}$ holds, $d(\ell_{1})$ is a $BK-$space with the norm $\|x\|_{d(\ell_{1})}$ and the matrix $\Delta$ is a triangle matrix, then Theorem 4.3.2 of Wilansky[6] gives the fact that the space $d(bv)$ is a $BK-$space. ∎ ###### Theorem 2.4. * (i). The spaces $\int\ell_{1}$ and $d(\ell_{1})$ have $AK-$property. * (ii). The spaces $\int bv$ and $d(bv)$ have $AK-$property. ###### Proof. The fact that of the space $\int bv$ has $AK-$property was given by Goes and Goes[4]. Then, we will only prove that the space $d(bv)$ has $AK-$property in (ii). Let $x=(x_{k})\in d(bv)$ and $x^{[n]}=\\{x_{1},x_{2},\cdots,x_{n},0,0,\cdots\\}$. Hence, $\displaystyle x-x^{[n]}=\\{0,0,\cdots,0,x_{n+1},x_{n+2},\cdots\\}\Rightarrow\|x-x^{[n]}\|_{d(bv)}=\|0,0,\cdots,0,x_{n+1},x_{n+2},\cdots\|$ and since $x\in d(bv)$, $\displaystyle\|x-x^{[n]}\|_{d(bv)}=\sum_{k\geq n+1}|\Delta(k^{-1}x_{k})|\rightarrow 0~{}\textrm{ as}~{}\ n\rightarrow\infty$ $\displaystyle\Rightarrow\lim_{n\rightarrow\infty}\|x-x^{[n]}\|_{d(bv)}=0\Rightarrow x^{[n]}\rightarrow\infty~{}\textrm{ as}~{}\ n\rightarrow\infty~{}\textrm{ in}~{}\ d(bv).$ Then the space $d(bv)$ has $AK-$property. ∎ ###### Theorem 2.5. The spaces $\int bv$ and $d(bv)$ are norm isomorphic to $\ell_{1}$. ###### Proof. We must show that a linear bijection between the spaces $\int bv$ and $\ell_{1}$ exists. Consider the transformation $T$ defined, with the notation (2.5), from $\int bv$ to $\ell_{1}$ by $x\mapsto y=Tx$. The linearity of $T$ is clear. Also, it is trivial that $x=\theta$ whenever $Tx=\theta$ and therefore, $T$ is injective. Let $y\in\ell_{1}$ and define the sequence $x=(x_{k})$ by $x_{k}=\frac{1}{k}.\sum_{j=1}^{k}y_{j}$. Then $\displaystyle\|x\|_{\int bv}$ $\displaystyle=$ $\displaystyle\sum_{k}|\Delta(kx_{k})|=\sum_{k}\left|k.\frac{1}{k}\sum_{j=1}^{k}y_{j}-(k-1).\frac{1}{k-1}\sum_{j=1}^{k-1}y_{j}\right|=\sum_{k}|y_{k}|=\|y\|_{\ell_{1}}<\infty.$ Then, we have that $x\in\int bv$. So, $T$ is surjective and norm preserving. Hence $T$ is a linear bijection. It shown us that the space $\int bv$ is norm isomorphic to $\ell_{1}$. As similar, using the notation (2.8), we can define the transformation $S$ from $d(bv)$ and $\ell_{1}$ by $x\mapsto y=Sx$. And also, if we choose the sequence $x=(x_{k})$ by $x_{k}=k.\sum_{j=2}^{k}y_{j}$ while $y\in\ell_{1}$, then we obtain the space $d(bv)$ is norm isomorphic to $\ell_{1}$ with the norm $\|x\|_{d(bv)}$. ∎ ###### Theorem 2.6. The spaces $\int bv$ and $d(bv)$ have monotone norm. ###### Proof. Let $x=(x_{k})\in\int bv$. We define the norms $\|x\|_{\int bv}=\sum_{k}|\Delta(kx_{k})|$ and $\|x^{[n]}\|_{\int bv}=\sum_{k=1}^{n}|\Delta(kx_{k})|$, for all $x\in\int bv$. For $n<m$, $\displaystyle\|x^{[n]}\|=\sum_{k=1}^{n}|\Delta(kx_{k})|\leq\sum_{k=1}^{m}|\Delta(kx_{k})=\|x^{[m]}\|,$ that is, (2.9) $\displaystyle\|x^{[m]}\|\geq\|x^{[n]}\|.$ The sequence $\|x^{[n]}\|$ is monotonically increasing sequence and bounded above. (2.10) $\displaystyle\sup\|x^{[n]}\|=\sup\left(\sum_{k=1}^{n}|\Delta(kx_{k})|\right)=\left(\sum_{k=1}^{n}|\Delta(kx_{k})|\right)=\|x\|.$ From (2.9) and (2.10), it follows that the space $\int bv$ has the monotone norm. In similar way, we can obtain to the space $d(bv)$ has the monotone norm. ∎ Because of the isomorphisms $T$ and $S$, defined in the proof of Theorem 2.5, are onto the inverse image of the basis $\\{e^{(k)}\\}_{k\in\mathbb{N}}$ of the space $\ell_{1}$ is the basis of the spaces $\int bv$ and $d(bv)$. Therefore, we have the following: ###### Theorem 2.7. * (i). Define a sequence $t^{(k)}=\\{t_{n}^{(k)}\\}_{n\in\mathbb{N}}$ of elements of the space $\int bv$ for every fixed $k\in\mathbb{N}$ by $\displaystyle t_{n}^{(k)}=\left\\{\begin{array}[]{ccl}1/k&,&\quad(n\geq k)\\\ 0&,&\quad(n<k)\end{array}\right.$ Therefore, the sequence $\\{t^{(k)}\\}_{k\in\mathbb{N}}$ is a basis for the space $\int bv$ and if we choose $E_{k}=(Ax)_{k}$ for all $k\in\mathbb{N}$, where the matrix $A$ defined by (1.7), then any $x\in\int bv$ has a unique representation of the form $\displaystyle x=\sum_{k}E_{k}b^{(k)}.$ * (ii). Define a sequence $s^{(k)}=\\{s_{n}^{(k)}\\}_{n\in\mathbb{N}}$ of elements of the space $d(bv)$ for every fixed $k\in\mathbb{N}$ by $\displaystyle s_{n}^{(k)}=\left\\{\begin{array}[]{ccl}k&,&\quad(n\geq k)\\\ 0&,&\quad(n<k)\end{array}\right.$ Therefore, the sequence $\\{s^{(k)}\\}_{k\in\mathbb{N}}$ is a basis for the space $d(bv)$ and if we choose $F_{k}=(Bx)_{k}$ for all $k\in\mathbb{N}$, where the matrix $B$ defined by (1.11), then any $x\in d(bv)$ has a unique representation of the form $\displaystyle x=\sum_{k}F_{k}b^{(k)}.$ The result follows from fact that if a space has a Schauder basis, then it is separable. Hence, we can give following corollary: ###### Corollary 2.8. The spaces $\int bv$ and $d(bv)$ are separable. ## 3\. The $\alpha-$, $\beta-$ and $\gamma-$ Duals of the spaces $\int bv$ and $d(bv)$ In this section, we state and prove the theorems determining the $\alpha$-, $\beta$\- and $\gamma$-duals of the sequence spaces $\int bv$ and $d(bv)$. Let $x$ and $y$ be sequences, $X$ and $Y$ be subsets of $\omega$ and $A=(a_{nk})_{n,k=0}^{\infty}$ be an infinite matrix of complex numbers. We write $xy=(x_{k}y_{k})_{k=0}^{\infty}$, $x^{-1}*Y=\\{a\in\omega:ax\in Y\\}$ and $M(X,Y)=\bigcap_{x\in X}x^{-1}*Y=\\{a\in\omega:ax\in Y~{}\textrm{ for all }~{}x\in X\\}$ for the _multiplier space_ of $X$ and $Y$. In the special cases of $Y=\\{\ell_{1},cs,bs\\}$, we write $x^{\alpha}=x^{-1}*\ell_{1}$, $x^{\beta}=x^{-1}*cs$, $x^{\gamma}=x^{-1}*bs$ and $X^{\alpha}=M(X,\ell_{1})$, $X^{\beta}=M(X,cs)$, $X^{\gamma}=M(X,bs)$ for the $\alpha-$dual, $\beta-$dual, $\gamma-$dual of $X$. By $A_{n}=(a_{nk})_{k=0}^{\infty}$ we denote the sequence in the $n-$th row of $A$, and we write $A_{n}(x)=\sum_{k=0}^{\infty}a_{nk}x_{k}$ $n=(0,1,...)$ and $A(x)=(A_{n}(x))_{n=0}^{\infty}$, provided $A_{n}\in x^{\beta}$ for all $n$. ###### Lemma 3.1. [1, Theorem 2.1] Let $\lambda,\mu$ be the BK-spaces and $B_{\mu}^{U}=(b_{nk})$ be defined via the sequence $\alpha=(\alpha_{k})\in\mu$ and triangle matrix $U=(u_{nk})$ by $\displaystyle b_{nk}=\sum_{j=k}^{n}\alpha_{j}u_{nj}v_{jk}$ for all $k,n\in\mathbb{N}$. Then, the inclusion $\mu\lambda_{U}\subset\lambda_{U}$ holds if and only if the matrix $B_{\mu}^{U}=UD_{\alpha}U^{-1}$ is in the classes $(\lambda:\lambda)$, where $D_{\alpha}$ is the diagonal matrix defined by $[D_{\alpha}]_{nn}=\alpha_{n}$ for all $n\in\mathbb{N}$. ###### Lemma 3.2. [1, Theorem 3.1] $B_{\mu}^{U}=(b_{nk})$ be defined via a sequence $a=(a_{k})\in\omega$ and inverse of the triangle matrix $U=(u_{nk})$ by $\displaystyle b_{nk}=\sum_{j=k}^{n}a_{j}v_{jk}$ for all $k,n\in\mathbb{N}$. Then, $\displaystyle\lambda_{U}^{\beta}=\\{a=(a_{k})\in\omega:B^{U}\in(\lambda:c)\\}.$ and $\displaystyle\lambda_{U}^{\gamma}=\\{a=(a_{k})\in\omega:B^{U}\in(\lambda:\ell_{\infty})\\}.$ ###### Lemma 3.3. Let $A=(a_{nk})$ be an infinite matrix. Then, the following statements hold: * (i) $A\in(\ell_{1}:\ell_{\infty})$ if and only if (3.1) $\displaystyle\sup_{k,n\in\mathbb{N}}|a_{nk}|<\infty.$ * (ii) $A\in(\ell_{1}:c)$ if and only if (3.1) holds, and there are $\alpha_{k},\in\mathbb{C}$ such that (3.2) $\displaystyle\lim_{n\rightarrow\infty}a_{nk}=\alpha_{k}~{}\textrm{ for each }~{}k\in\mathbb{N}.$ * (iii) $A\in(\ell_{1}:\ell_{1})$ if and only if (3.3) $\displaystyle\sup_{k\in\mathbb{N}}\sum_{n}|a_{nk}|<\infty.$ ###### Theorem 3.4. $\left[\int bv\right]^{\alpha}=d(\ell_{1})$ ###### Proof. We take the matrix $\Gamma$ as defined by (1.7) and $\Gamma_{n}$ denotes the sequences in the $n$th rows of the matrices $\Gamma$. We define the matrix $C$ whose rows are the product of the rows of the matrix $\Gamma^{-1}$ and the sequence $a=(a_{n})$, i.e., $C_{n}=(\Gamma^{-1})_{n}a$. From the relation (2.5), we obtain (3.4) $\displaystyle a_{n}x_{n}=\sum_{k=1}^{n}\frac{a_{n}}{n}y_{k}=(Cy)_{n}\quad\quad(n\in\mathbb{N}).$ It follows from (3.4) that $ax=(a_{n}x_{n})\in\ell_{1}$ whenever $x=(x_{k})\in\int bv$ if and only if $Cy\in\ell_{1}$ whenever $y\in\ell_{1}$. By using Lemma 3.3 (iii), we obtain that $\left[\int bv\right]^{\alpha}=d(\ell_{1})$. ∎ ###### Theorem 3.5. $[d(bv)]^{\alpha}=\int\ell_{1}$ ###### Proof. As similar way in proof of Theorem 3.4, if we take the matrix $\Sigma$ as defined by (1.11) and define the matrix $D=(d_{nk})$ with $a_{n}x_{n}=\sum_{k=2}^{n}n.a_{n}.y_{k}=(Dy)_{n}$ for all $n\in\mathbb{N}$, using by the relation (2.8), this gives us that $[d(bv)]^{\alpha}=\int\ell_{1}$. ∎ ###### Theorem 3.6. $\left[\int bv\right]^{\beta}=d(bs)$ ###### Proof. Consider the equation (3.5) $\displaystyle\sum_{k=1}^{n}a_{k}x_{k}=\sum_{k=1}^{n}a_{k}\left(k^{-1}\sum_{j=1}^{k}y_{j}\right)=\sum_{k=1}^{n}\left(\sum_{j=k}^{n}\frac{a_{j}}{j}\right)y_{k}=(Ey)_{n}$ where $E=(e_{nk})$ is defined by (3.8) $\displaystyle e_{nk}=\left\\{\begin{array}[]{ccl}\sum_{j=k}^{n}j^{-1}a_{j}&,&\quad(0\leq k\leq n)\\\ 0&,&\quad(k>n)\end{array}\right.$ for all $n,k\in\mathbb{N}$. Then we deduce from Lemma 3.3 (ii) with (3.5) that $ax=(a_{k}x_{k})\in cs$ whenever $x=(x_{k})\in\int bv$ if and only if $Ey\in c$ whenever $y=(y_{k})\in\ell_{1}$. Thus, $(a_{k})\in cs$ and $(a_{k})\in d(bs)$ by (3.1) and (3.2), respectively. Since the inclusion $d(bs)\subset cs$ holds, then, we have $(a_{k})\in d(bs)$, whence $\left[\int bv\right]^{\beta}=d(bs)$. ∎ ###### Lemma 3.7. [4] $(cs)^{\beta}=bv\Rightarrow[d(cs)]^{\beta}=\int bv$ From Theorem 3.6 and Lemma 3.7, we have, ###### Theorem 3.8. $(bv)^{\beta}=cs\Rightarrow[d(bv)]^{\beta}=\int cs$. ###### Theorem 3.9. $\left[\int bv\right]^{\gamma}=d(bs)$ ###### Proof. This can be obtained by analogy with the proof of Theorem 3.6 with Lemma 3.3 (i) instead of Lemma 3.3 (ii). So we omit the details. ∎ ###### Theorem 3.10. $[d(bs)]^{\gamma}=\int bv$ ## 4\. Matrix Mappings on the spaces $\int bv$ and $d(bv)$ In this section, we characterize some matrix transformations on the spaces $\int bv$ and $d(bv)$. We shall write throughout for brevity that $\displaystyle\overline{a}_{nk}=k^{-1}\sum_{j=k}^{\infty}a_{nj},\quad\quad\widetilde{a}_{nk}=k\sum_{j=k}^{\infty}a_{nj},$ $\displaystyle\widehat{a}_{nk}=n.a_{nk}-(n-1).a_{n-1,k},\quad\quad\overrightarrow{a}_{nk}=n^{-1}.a_{nk}-(n-1)^{-1}.a_{n-1,k}$ for all $k,n\in\mathbb{N}$. ###### Lemma 4.1. [1] Let $X,Y$ be any two sequence spaces, $A$ be an infinite matrix and $U$ a triangle matrix matrix.Then, $A\in(X:Y_{U})$ if and only if $UA\in(X:Y)$. ###### Theorem 4.2. Suppose that the entries of the infinite matrices $A=(a_{nk})$ and $F=(f_{nk})$ are connected with the relation (4.1) $\displaystyle f_{nk}=\overline{a}_{nk}$ for all $k,n\in\mathbb{N}$ and $Y$ be any given sequence space. Then, $A\in(\int bv:Y)$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in[\int bv]^{\beta}$ for all $n\in\mathbb{N}$ and $F\in(\ell_{1}:Y)$. ###### Proof. Let $Y$ be any given sequence space. Suppose that (4.1) holds between $A=(a_{nk})$ and $F=(f_{nk})$, and take into account that the spaces $\int bv$ and $\ell_{1}$ are norm isomorphic. Let $A\in(\int bv:Y)$ and take any $y=(y_{k})\in\ell_{1}$. Then $\Gamma F$ exists and $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{\int bv\\}^{\beta}$ which yields that (4.1) is necessary and $\\{f_{nk}\\}_{k\in\mathbb{N}}\in(\ell_{1})^{\beta}$ for each $n\in\mathbb{N}$. Hence, $Fy$ exists for each $y\in\ell_{1}$ and thus $\displaystyle\sum_{k}f_{nk}y_{k}=\sum_{k}a_{nk}x_{k}~{}\textrm{ for all }~{}n\in\mathbb{N},$ we obtain that $Fy=Ax$ which leads us to the consequence $F\in(\ell_{1}:Y)$. Conversely, let $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{\int bv\\}^{\beta}$ for each $n\in\mathbb{N}$ and $F\in(\ell_{1}:Y)$ hold, and take any $x=(x_{k})\in\int bv$. Then, $Ax$ exists. Therefore, we obtain from the equality $\displaystyle\sum_{k=1}^{m}a_{nk}x_{k}=\sum_{k=1}^{m}\left[k^{-1}\sum_{j=k}^{m}a_{nj}\right]y_{k}~{}\textrm{ for all }~{}m,n\in\mathbb{N}$ as $m\rightarrow\infty$ that $Ax=Fy$ and this shows that $F\in(\ell_{1}:Y)$. This completes the proof. ∎ ###### Theorem 4.3. Suppose that the entries of the infinite matrices $A=(a_{nk})$ and $G=(g_{nk})$ are connected with the relation (4.2) $\displaystyle g_{nk}=\widetilde{a}_{nk}$ for all $k,n\in\mathbb{N}$ and $Y$ be any given sequence space. Then, $A\in(d(bv):Y)$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in[d(bv)]^{\beta}$ for all $n\in\mathbb{N}$ and $G\in(\ell_{1}:Y)$. ###### Theorem 4.4. Suppose that the entries of the infinite matrices $A=(a_{nk})$ and $H=(h_{nk})$ are connected with the relation (4.3) $\displaystyle h_{nk}=\widehat{a}_{nk}$ for all $k,n\in\mathbb{N}$ and $Y$ be any given sequence space. Then, $A\in(Y:\int bv)$ if and only if $M\in(Y:\ell_{1})$. ###### Proof. Let $z=(z_{k})\in Y$ and consider the following equality $\displaystyle\sum_{k=0}^{m}\widehat{a}_{nk}z_{k}=\sum_{k=0}^{m}(n.a_{nk}-(n-1)a_{n-1,k})z_{k}\quad~{}\textrm{ for all, }~{}m,n\in\mathbb{N}$ which yields that as $m\rightarrow\infty$ that $(Hz)_{n}=\\{\Gamma(Az)\\}_{n}$ for all $n\in\mathbb{N}$. Therefore, one can observe from here that $Az\in\int bv$ whenever $z\in Y$ if and only if $Hz\in\ell_{1}$ whenever $z\in Y$. ∎ ###### Theorem 4.5. Suppose that the entries of the infinite matrices $A=(a_{nk})$ and $M=(m_{nk})$ are connected with the relation (4.4) $\displaystyle m_{nk}=\overrightarrow{a}_{nk}$ for all $k,n\in\mathbb{N}$ and $Y$ be any given sequence space. Then, $A\in(Y:d(bv))$ if and only if $F\in(Y:\ell_{1})$. ###### Lemma 4.6. * (i) $A\in(\ell_{1}:bs)$ if and only if (4.5) $\displaystyle\sup_{k,m\in\mathbb{N}}\left|\sum_{n=0}^{m}a_{nk}\right|<\infty.$ * (ii) $A\in(\ell_{1}:cs)$ if and only if (4.5) holds, and (4.6) $\displaystyle\sum_{n}a_{nk}~{}\textrm{ convergent for each }~{}k\in\mathbb{N}.$ * (iii) $A\in(\ell_{1}:c_{0}s)$ if and only if (4.5) holds, and (4.7) $\displaystyle\sum_{n}a_{nk}=0~{}\textrm{ for each }~{}k\in\mathbb{N}.$ ###### Lemma 4.7. * (i) $A\in(\ell_{\infty}:\ell_{1})=(c:\ell_{1})=(c_{0}:\ell_{1})$ if and only if (4.8) $\displaystyle\sup_{N,K\in\mathcal{F}}\left|\sum_{n\in N}\sum_{k\in K}(a_{nk}-a_{n,k+1})\right|<\infty$ * (ii) $A\in(bs:\ell_{1})$ if and only if (4.9) $\displaystyle\lim_{k}a_{nk}=0~{}\textrm{ for each }~{}n\in\mathbb{N}.$ (4.10) $\displaystyle\sup_{N,K\in\mathcal{F}}\left|\sum_{n\in N}\sum_{k\in K}(a_{nk}-a_{n,k+1})\right|<\infty$ * (iii) $A\in(cs:\ell_{1})$ if and only if (4.11) $\displaystyle\sup_{N,K\in\mathcal{F}}\left|\sum_{n\in N}\sum_{k\in K}(a_{nk}-a_{n,k-1})\right|<\infty$ * (iv) $A\in(c_{0}s:\ell_{1})$ if and only if (4.10) holds. Now, we can give the following results: ###### Corollary 4.8. The following statements hold: * (i) $A=(a_{nk})\in(\int bv:\ell_{\infty})$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{\int bv\\}^{\beta}$ for all $n\in\mathbb{N}$ and (3.1) holds with $\overline{a}_{nk}$ instead of ${a}_{nk}$. * (ii) $A=(a_{nk})\in(\int bv:c)$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{\int bv\\}^{\beta}$ for all $n\in\mathbb{N}$ and (3.1) and (3.2) hold with $\overline{a}_{nk}$ instead of ${a}_{nk}$. * (iii) $A\in(\int bv:c_{0})$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{\int bv\\}^{\beta}$ for all $n\in\mathbb{N}$ and (3.1) and (3.2) hold with $\alpha_{k}=0$ as $\overline{a}_{nk}$ instead of $a_{nk}$. * (iv) $A=(a_{nk})\in(\int bv:bs)$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{\int bv\\}^{\beta}$ for all $n\in\mathbb{N}$ and (4.5) holds with $\overline{a}_{nk}$ instead of ${a}_{nk}$. * (v) $A=(a_{nk})\in(\int bv:cs)$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{\int bv\\}^{\beta}$ for all $n\in\mathbb{N}$ and (4.5), (4.6) hold with $\overline{a}_{nk}$ instead of ${a}_{nk}$. * (vi) $A=(a_{nk})\in(\int bv:c_{0}s)$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{\int bv\\}^{\beta}$ for all $n\in\mathbb{N}$ and (4.5), (4.7) hold with $\overline{a}_{nk}$ instead of ${a}_{nk}$. ###### Corollary 4.9. The following statements hold: * (i) $A=(a_{nk})\in(d(bv):\ell_{\infty})$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{d(bv)\\}^{\beta}$ for all $n\in\mathbb{N}$ and (3.1) holds with $\widetilde{a}_{nk}$ instead of ${a}_{nk}$. * (ii) $A=(a_{nk})\in(d(bv):c)$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{d(bv)\\}^{\beta}$ for all $n\in\mathbb{N}$ and (3.1) and (3.2) hold with $\widetilde{a}_{nk}$ instead of ${a}_{nk}$. * (iii) $A\in(d(bv):c_{0})$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{d(bv)\\}^{\beta}$ for all $n\in\mathbb{N}$ and (3.1) and (3.2) hold with $\alpha_{k}=0$ as $\widetilde{a}_{nk}$ instead of $a_{nk}$. * (iv) $A=(a_{nk})\in(d(bv):bs)$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{d(bv)\\}^{\beta}$ for all $n\in\mathbb{N}$ and (4.5) holds with $\widetilde{a}_{nk}$ instead of ${a}_{nk}$. * (v) $A=(a_{nk})\in(d(bv):cs)$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{d(bv)\\}^{\beta}$ for all $n\in\mathbb{N}$ and (4.5), (4.6) hold with $\widetilde{a}_{nk}$ instead of ${a}_{nk}$. * (vi) $A=(a_{nk})\in(d(bv):c_{0}s)$ if and only if $\\{a_{nk}\\}_{k\in\mathbb{N}}\in\\{\int bv\\}^{\beta}$ for all $n\in\mathbb{N}$ and (4.5), (4.7) hold with $\widetilde{a}_{nk}$ instead of ${a}_{nk}$. ###### Corollary 4.10. We have: * (i) $A=(a_{nk})\in(\ell_{\infty}:\int bv)=(c:\int bv)=(c_{0}:\int bv)$ if and only if (4.8) hold with $\widehat{a}_{nk}$ instead of ${a}_{nk}$. * (ii) $A=(a_{nk})\in(bs:\int bv)$ if and only if (4.9) and (4.10) hold with $\widehat{a}_{nk}$ instead of ${a}_{nk}$. * (iii) $A=(a_{nk})\in(cs:\int bv)$ if and only if (4.11) holds with $\widehat{a}_{nk}$ instead of ${a}_{nk}$. * (iv) $A=(a_{nk})\in(c_{0}s:\int bv)$ if and only if (4.10) holds with $\widehat{a}_{nk}$ instead of ${a}_{nk}$. ###### Corollary 4.11. We have: * (i) $A=(a_{nk})\in(\ell_{\infty}:d(bv))=(c:d(bv))=(c_{0}:d(bv))$ if and only if (4.8) hold with $\overrightarrow{a}_{nk}$ instead of ${a}_{nk}$. * (ii) $A=(a_{nk})\in(bs:d(bv))$ if and only if (4.9) and (4.10) hold with $\overrightarrow{a}_{nk}$ instead of ${a}_{nk}$. * (iii) $A=(a_{nk})\in(cs:d(bv))$ if and only if (4.11) holds with $\overrightarrow{a}_{nk}$ instead of ${a}_{nk}$. * (iv) $A=(a_{nk})\in(c_{0}s:d(bv))$ if and only if (4.10) holds with $\widehat{a}_{nk}$ instead of ${a}_{nk}$. ## 5\. Conclusion Goes and Goes [4] introduced the integrated and differentiated sequence spaces. Subramanian et.al. [5] gave the integrated rate space $\int\ell_{\pi}$ and studied some properties of this space. And they also characterized the matrix classes $\left(\int\ell_{\pi}:Y\right)$, where $Y=\\{\ell_{\infty},c,c_{0},\ell_{p},bv,bv_{0},bs,cs,\ell_{\rho},\ell_{\pi}\\}$. There are no studies on differentiated sequence spaces. In this paper, we studied some properties of integrated and differentiated sequence spaces. We compute the alpha-, beta- and gamma-duals of these spaces. For $Y=\\{\ell_{\infty},c,c_{0},bs,cs,c_{0}s\\}$, we characterize matrix classes $(\int bv:Y),(d(bv):Y)$ and $(Y:\int bv),(Y:d(bv))$ in the last section. We should note from now on that the investigation of the domain of some particular limitation matrices, namely Cesàro means of order one, Euler means of order r, Riesz means, Nörlund means, the double band matrix $B(r,s)$, the triple band matrix $B(r,st),$etc., in the spaces $\int bv$ and $d(bv)$ will lead us to new results which are not comparable with the present results. If we can choose different sequence spaces for the space $Y$, it can study new matrix characterizations of $(\int bv:Y),(d(bv):Y)$ and $(Y:\int bv),(Y:d(bv))$. Also the spaces $\int bv$ and $d(bv)$ can be defined by a index $p$ and paranormed sequence spaces as $p=(p_{k})$ is a sequence of strictly positive numbers. ## References * [1] B. Altay and F. Başar, Certain topological properties and duals of the domain of a triangle matrix in a sequence spaces, J. Math. Analysis and Appl., 336 (2007), 632–645. * [2] F. Başar, Summability Theory and its Applications, Bentham Science Publishers, e-books, Monographs, (2011). * [3] F. Başar and B. Altay On the space of sequences of $p$-bounded variation and related matrix mappings, Ukranian Math. J., 55(1) (2003), 136–147. * [4] G. Goes and S., Goes, Sequences of bounded variation and sequences of Fourier coefficients I, Math. Z., 118(1970), 93–102. * [5] N. Subramanian, K. C. Rao and N. Gurumoorthy, Integrated rate space $\int\ell_{\pi}$, Commun. Korean Math. Soc., 22 (2007), 527–534. * [6] A. Wilansky, Summability through Functinal Analysis, North Holland, New York, (1984).
arxiv-papers
2014-02-24T10:57:51
2024-09-04T02:49:58.712845
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Murat Kiri\\c{s}ci", "submitter": "Murat Kiri\\c{s}ci", "url": "https://arxiv.org/abs/1402.5786" }
1402.5788
# On the fine spectrum of the forward difference operator on the Hahn space Medi̇ne Yeşi̇lkayagi̇l and Murat Ki̇ri̇şci̇ Department of Mathematics, Uşak University, 1 Eylül Campus, 64200 - Uşak, Turkey [email protected] Department of Mathematical Education, Hasan Ali Yucel Education Faculty, İstanbul University, Vefa, 34470–İstanbul, Turkey [email protected], [email protected] ###### Abstract. The main purpose of this paper is to determine the fine spectrum with respect to Goldberg’s classification of the difference operator over the sequence space $h$. As a new development, we give the approximate point spectrum, defect spectrum and compression spectrum of the difference operator on the sequence space $h$. ###### Key words and phrases: Spectrum of an operator, spectral mapping theorem, the Hahn sequence space, Goldberg’s classification. ###### 2010 Mathematics Subject Classification: 47A10, 47B37. **Corresponding author. ## 1\. Introduction An important branch of mathematics due to its application in other branches of science is a Spectral Theory. It has been proved to be a very useful tool because of its convenient and easy applicability of the different fields. In numerical analysis, the spectral values may determine whether a discretization of a differential equation will get the right answer or how fast a conjugate gradient iteration will converge. In aeronautics, the spectral values may determine whether the flow over a wing is laminar or turbulent. In electrical engineering, it may determine the frequency response of an amplifier or the reliability of a power system. In quantum mechanics, it may determine atomic energy levels and thus, the frequency of a laser or the spectral signature of a star. In structural mechanics, it may determine whether an automobile is too noisy or whether a building will collapse in an earthquake. In ecology, the spectral values may determine whether a food web will settle into a steady equilibrium. In probability theory, they may determine the rate of convergence of a Markov process. There are several studies about the spectrum of the linear operators defined by some triangle matrices over certain sequence spaces. This long-time behavior was intensively studied over many years, starting with the work by Wenger [29], who established the fine spectrum of the integer power of the Cesàro operator in c. The generalization of [29] to the weighted mean methods is due to Rhoades [26]. The study of the fine spectrum of the operator on the sequence space $\ell_{p}$, $(1<p<\infty)$ was initiated by Gonzàlez [14]. The method of the spectrum of the Cesàro operator prepared by Reade [25], Akhmedov and Başar [1], and Okutoyi [21], respectively, whose established to this idea on the sequence spaces $c_{0}$ and $bv$.In [31], the fine spectrum of the Rhaly operators on the sequence spaces $c_{0}$ and $c$ was given. The spectrum and fine spectrum for p-Cesàro operator acting on the space $c_{0}$ was studied by Coşkun [9]. The investigation of the spectrum and the fine spectrum of the difference operator on the sequence spaces $s_{r}$ and $c_{0}$, $c$ was made by Malafosse [20] and Altay and Başar [4], respectively, where $s_{r}$ denotes the Banach space of all sequences $x=(x_{k})$ normed by $\|x\|_{s_{r}}=\underset{k\in\mathbb{N}}{\sup}|x_{k}|/r^{k}$, $(r>0)$. The idea of the fine spectrum applied to the Zweier matrix which is a band matrix as an operator over the sequence spaces $\ell_{1}$ and $bv$ by Altay and Karakus [5]. Let $\Delta_{\nu}$ is double sequential band matrix on $\ell_{1}$ such that $(\Delta_{\nu})_{nn}=\nu_{n}$ and $(\Delta_{\nu})_{n+1,n}=-\nu_{n}$ for all $n\in\mathbb{N}$, under certain conditions on the sequence $\nu=(\nu_{k})$. The spectra and the fine spectra of matrix $\Delta_{\nu}$ were determined by Srivastava and Kumar [27]. Afterwards, these results of the double sequential band matrix $\Delta_{\nu}$ generalized to the double sequential band matrix $\Delta_{uv}$ such that defined by $\Delta_{uv}x=(u_{n}x_{n}+v_{n-1}x_{n-1})_{n\in\mathbb{N}}$ for all $n\in\mathbb{N}$ (see [28]). In [6], the fine spectra of the Toeplitz operators represented by an upper and lower triangular $n$-band infinite matrices, over the sequence spaces $c_{0}$ and $c$ was computed. The fine spectra of upper triangular double-band matrices over the sequence spaces $c_{0}$ and $c$ was obtained by Karakaya and Altun [16]. Let $\Delta_{a,b}$ is a double band matrix with the convergent sequences $\widetilde{a}=(a_{k})$ and $\widetilde{b}=(b_{k})$ having certain properties, over the sequence space $c$. The fine spectrum of the matrix $\Delta_{a,b}$ was examined by Akhmedov and El-Shabrawy [3]. The approach to the fine spectrum with respect to Goldberg’s classification studied with of the operator $B(r,s,t)$ defined by a triple band matrix over the sequence spaces $\ell_{p}$ and $bv_{p}$, $(1<p<\infty)$ by Furkan et al. [11]. Quite recently, the fine spectrum with respect to Goldberg’s classification of the operator defined by the lambda matrix over the sequence spaces $c_{0}$ and $c$ computed by Yeşilkayagil and Başar [30]. Hahn sequence space is defined as $x=(x_{k})$ such that $\sum_{k=1}^{\infty}k|x_{k}-x_{k+1}|$ converges and $x_{k}$ is a null sequence and is denoted by $h$. Initially, this space was defined and studied to some general properties by Hahn [15]. It was examined different properties of this space by Goes and Goes [12] and Rao [22], [23], [24]. Quite recently, the studies on Hahn sequence space has been compiled by Kirisci [17]. Also in [18], it has been defined a new Hahn sequence space by Cesàro mean. In the present paper, our propose is to investigate the fine spectrum of the difference operator $\Delta$ on the sequence space $h$. And also, we define the approximate point spectrum, defect spectrum and compression spectrum of the difference operator on the sequence space $h$, as a new approach. ## 2\. Preliminaries and Definition Let $X$ and $Y$ be Banach spaces, and also let $T:X\rightarrow Y$ be a bounded linear operator. The range of the operator $T$ defined by $\displaystyle R(T)=\\{y\in Y:y=Tx,\text{ }x\in X\\}.$ The set of all bounded linear operators on $X$ into itself denoted by $B(X)$. We choose any Banach space $X$ and let $T\in B(X)$. Then we can define the adjoint $T^{\ast}$ of $T$ is a bounded linear operator on the dual $X^{\ast}$ of $X$ such that $\left(T^{\ast}f\right)(x)=f(Tx)$ for all $f\in Y^{\ast}$ and $x\in X$. Let $X\neq\\{\theta\\}$ be a non-trivial complex normed space. A linear operator $T$ defined by $T:D(T)\rightarrow X$ on a subspace $D(T)\subseteq X$. We do not assume that $D(T)$ is dense in $X$ or that T has closed graph $\\{(x,Tx):x\in D(T)\\}\subseteq X\times X$. We mean by the expression ”$T$ is invertible” that there exists a bounded linear operator $S:R(T)\rightarrow X$ for which $ST=I$ on $D(T)$ and $\overline{R(T)}=X$; such that $S=T^{-1}$ is necessarily uniquely determined, and linear; the boundedness of $S$ means that $T$ must be bounded below, in the sense that there is $k>0$ for which $\|Tx\|\geq k\|x\|$ for all $x\in D(T)$. The perturbed operator defined on the same domain $D(T)$ as $T$ as follows: $\displaystyle T_{\alpha}=\alpha I-T$ such that associated with each complex number $\alpha$. The spectrum $\sigma(T,X)$ consists of those $\alpha\in\mathbb{C}$ for which $T_{\alpha}$ is not invertible, and the resolvent is the mapping from the complement $\sigma(T,X)$ of the spectrum into the algebra of bounded linear operators on X defined by $\alpha\mapsto T_{\alpha}^{-1}$. Let $\omega$ is the space of all complex valued sequences and $\phi$ the set of all infinitely nonzero sequences. A linear subspace of $\omega$ which contain $\phi$ said a sequence space. We write $\ell_{\infty}$, $c$, $c_{0}$ and $bv$ for the spaces of all bounded, convergent, null and bounded variation sequences which are the Banach spaces with the sup-norm $\|x\|_{\infty}=\underset{k\in\mathbb{N}}{\sup}|x_{k}|$ and $\|x\|_{bv}=\stackrel{{\scriptstyle\infty}}{{\underset{k=0}{\sum}}}|x_{k}-x_{k+1}|$, respectively, while $\phi$ is not a Banach space with respect to any norm, where $\mathbb{N}=\\{0,1,2,\ldots\\}$. Also by $\ell_{p}$, we denote the space of all $p$–absolutely summable sequences which is a Banach space with the norm $\|x\|_{p}=\left(\stackrel{{\scriptstyle\infty}}{{\underset{k=0}{\sum}}}|x_{k}|^{p}\right)^{1/p}$, where $1\leq p<\infty$. Let $\mu$ and $\nu$ be two sequence spaces, and $A=(a_{nk})$ be an infinite matrix of complex numbers $a_{nk}$, where $k,n\in\mathbb{N}$. Then, we say that $A$ defines a matrix mapping from $\mu$ into $\nu$, and we denote it by writing $A:\mu\rightarrow\nu$ if for every sequence $x=(x_{k})\in\mu$, the $A$-transform $Ax=\\{(Ax)_{n}\\}$ of $x$ is in $\nu$; where (2.1) $\displaystyle(Ax)_{n}=\sum_{k=0}^{\infty}a_{nk}x_{k}~{}\textrm{ for all }~{}n\in\mathbb{N}.$ By $(\mu:\nu)$, we denote the class of all matrices $A$ such that $A:\mu\rightarrow\nu$. Thus, $A\in(\mu:\nu)$ if and only if the series on the right side of (2.1) converges for each $n\in\mathbb{N}$ and each $x\in\mu$, and we have $Ax=\\{(Ax)_{n}\\}_{n\in\mathbb{N}}\in\nu$ for all $x\in\mu$. The $BK-$space $h$ of all sequences $x=(x_{k})$ such that $\displaystyle h=\left\\{x:\sum_{k=1}^{\infty}k|\Delta x_{k}|<\infty~{}\textrm{ and }~{}\lim_{k\rightarrow\infty}x_{k}=0\right\\}$ was defined by Hahn [15]. Here and after $\Delta$ denotes the forward difference operator, that is, $\Delta x_{k}=x_{k}-x_{k+1}$, for all $k\in\mathbb{N}$. The following norm $\displaystyle\|x\|_{h}=\sum_{k}k|\Delta x_{k}|+\sup_{k}|x_{k}|$ was given on the space $h$ by Hahn [15] (and also [12]). Rao [22, Proposition 2.1] defined a new norm on $h$ as $\|x\|=\sum_{k}k|\Delta x_{k}|.$ Hahn proved following properties of the space $h$: ###### Lemma 2.1. The following statements hold: * (i) $h$ is a Banach space. * (ii) $h\subset\ell_{1}\cap\int c_{0}$. * (iii) $h^{\beta}=\rho_{\infty}$, where $\int\lambda=\big{\\{}x=(x_{k})\in\omega:(kx_{k})\in\lambda\big{\\}}$ and $\rho_{\infty}=\big{\\{}x=(x_{k})\in\omega:\sup_{n}n^{-1}\big{|}\sum_{k=1}^{n}x_{k}\big{|}<\infty\big{\\}}$. Functional analytic properties of the $BK-$space $bv_{0}\cap d\ell_{1}$ was studied by Goes and Goes [12], where $d\ell_{1}=\\{x=(x_{k})\in\omega:\sum_{k=1}^{\infty}\frac{1}{k}|x_{k}|<\infty\\}$. Also, in [12], the arithmetic means of sequences in $bv_{0}$ and $bv_{0}\cap d\ell_{1}$ were considered, and used the fact that the Cesàro transform $(n^{-1}\sum_{k=1}^{n}x_{k})$ of order one $x\in bv_{0}$ is a quasiconvex null sequence. Rao [22] studied some geometric properties of Hahn sequence space and gave the characterizations of some classes of matrix transformations. Also, in [23] and [24], Rao examined the different properties of Hahn sequence space. Balasubramanian and Pandiarani [8] defined the new sequence space $h(F)$ called the Hahn sequence space of fuzzy numbers and proved that $\beta-$ and $\gamma-$duals of $h(F)$ is the Cesàro space of the set of all fuzzy bounded sequences. Until the new studies of Kirişçi [17, 18], there has not been any work containing the Hahn sequence space. ## 3\. Subdivision of the Spectrum In this section, we define the parts called point spectrum, continuous spectrum, residual spectrum, approximate point spectrum, defect spectrum and compression spectrum of the spectrum. There are many different ways to subdivide the spectrum of a bounded linear operator. Some of them are motivated by applications to physics, in particular, quantum mechanics. ### 3.1. The Point Spectrum, Continuous Spectrum and Residual Spectrum The name resolvent is appropriate since $T_{\alpha}^{-1}$ helps to solve the equation $T_{\alpha}x=y$. Thus, $x=T_{\alpha}^{-1}y$ provided that $T_{\alpha}^{-1}$ exists. More importantly, the investigation of properties of $T_{\alpha}^{-1}$ will be basic for an understanding of the operator $T$ itself. Naturally, many properties of $T_{\alpha}$ and $T_{\alpha}^{-1}$ depend on $\alpha$, and the spectral theory is concerned with those properties. For instance, we shall be interested in the set of all $\alpha$’s in the complex plane such that $T_{\alpha}^{-1}$ exists. Boundedness of $T_{\alpha}^{-1}$ is another property that will be essential. We shall also ask for what $\alpha$’s the domain of $T_{\alpha}^{-1}$ is dense in X, to name just a few aspects. A regular value $\alpha$ of $T$ is a complex number such that $T_{\alpha}^{-1}$ exists and is bounded whose domain is dense in X. For our investigation of T, $T_{\alpha}$ and $T_{\alpha}^{-1}$, we need some basic concepts in the spectral theory which are given, as follows (see Kreyszig [19, pp. 370-371]): The resolvent set $\rho(T,X)$ of $T$ is the set of all regular values $\alpha$ of $T$. Furthermore, the spectrum $\sigma(T,X)$ is partitioned into the following three disjoint sets: The point (discrete) spectrum $\sigma_{p}(T,X)$ is the set such that $T_{\alpha}^{-1}$ does not exist. An $\alpha\in\sigma_{p}(T,X)$ is called an eigenvalue of $T$. The continuous spectrum $\sigma_{c}(T,X)$ is the set such that $T_{\alpha}^{-1}$ exists and is unbounded, and the domain of $T_{\alpha}^{-1}$ is dense in $X$. The residual spectrum $\sigma_{r}(T,X)$ is the set such that $T_{\alpha}^{-1}$ exists (and may be bounded or not) but the domain of $T_{\alpha}^{-1}$ is not dense in $X$. Therefore, these three subspectra form a disjoint subdivision such that (3.1) $\displaystyle\sigma(T,X)=\sigma_{p}(T,X)\cup\sigma_{c}(T,X)\cup\sigma_{r}(T,X).$ To avoid trivial misunderstandings, let us say that some of the sets defined above may be empty. This is an existence problem which we shall have to discuss. Indeed, it is well-known that $\sigma_{c}(T,X)=\sigma_{r}(T,X)=\emptyset$ and the spectrum $\sigma(T,X)$ consists of only the set $\sigma_{p}(T,X)$ in the finite-dimensional case. ### 3.2. The Approximate Point Spectrum, Defect Spectrum and Compression Spectrum In this subsection, three more subdivision of the spectrum called the approximate point spectrum, defect spectrum and compression spectrum have been defined as in Appell et al. [7]. Let $X$ is a Banach space and $T$ is a bounded linear operator. A $(x_{k})\in X$ Weyl sequence for $T$ defined by $\left\|x_{k}\right\|=1$ and $\left\|Tx_{k}\right\|\rightarrow 0$, as $k\rightarrow\infty$. In what follows, we call the set (3.2) $\displaystyle\sigma_{ap}(T,X):=\\{\alpha\in\mathbb{C}:\text{there exists a Weyl sequence for }\alpha I-T\\}$ the approximate point spectrum of $T$. Moreover, the subspectrum (3.3) $\displaystyle\sigma_{\delta}(T,X):=\\{\alpha\in\mathbb{C}:\alpha I-T\text{ is not surjective}\\}$ is called defect spectrum of $T$. The two subspectra given by (3.2) and (3.3) form a (not necessarily disjoint) subdivision $\displaystyle\sigma(T,X)=\sigma_{ap}(T,X)\cup\sigma_{\delta}(T,X)$ of the spectrum. There is another subspectrum, $\displaystyle\sigma_{co}(T,X)=\\{\alpha\in\mathbb{C}:\overline{R(\alpha I-T)}\neq X\\}$ which is often called compression spectrum in the literature. The compression spectrum gives rise to another (not necessarily disjoint) decomposition $\displaystyle\sigma(T,X)=\sigma_{ap}(T,X)\cup\sigma_{co}(T,X)$ of the spectrum. Clearly, $\sigma_{p}(T,X)\subseteq\sigma_{ap}(T,X)$ and $\sigma_{co}(T,X)\subseteq\sigma_{\delta}(T,X)$. Moreover, comparing these subspectra with those in (3.1) we note that $\displaystyle\sigma_{r}(T,X)$ $\displaystyle=$ $\displaystyle\sigma_{co}(T,X)\backslash\sigma_{p}(T,X),$ $\displaystyle\sigma_{c}(T,X)$ $\displaystyle=$ $\displaystyle\sigma(T,X)\backslash[\sigma_{p}(T,X)\cup\sigma_{co}(T,X)].$ Sometimes it is useful to relate the spectrum of a bounded linear operator to that of its adjoint. Building on classical existence and uniqueness results for linear operator equations in Banach spaces and their adjoints are also useful. ###### Proposition 3.1. [7, Proposition 1.3, p. 28] The following relations on the spectrum and subspectrum of an operator $T\in B(X)$ and its adjoint $T^{\ast}\in B(X^{\ast})$ hold: 1. (a) $\sigma(T^{\ast},X^{\ast})=\sigma(T,X)$. 2. (b) $\sigma_{c}(T^{\ast},X^{\ast})\subseteq\sigma_{ap}(T,X)$. 3. (c) $\sigma_{ap}(T^{\ast},X^{\ast})=\sigma_{\delta}(T,X)$. 4. (d) $\sigma_{\delta}(T^{\ast},X^{\ast})=\sigma_{ap}(T,X)$. 5. (e) $\sigma_{p}(T^{\ast},X^{\ast})=\sigma_{co}(T,X)$. 6. (f) $\sigma_{co}(T^{\ast},X^{\ast})\supseteq\sigma_{p}(T,X)$. 7. (g) $\sigma(T,X)=\sigma_{ap}(T,X)\cup\sigma_{p}(T^{\ast},X^{\ast})=\sigma_{p}(T,X)\cup\sigma_{ap}(T^{\ast},X^{\ast})$. The relations (c)-(f) show that the approximate point spectrum is in a certain sense dual to the defect spectrum and the point spectrum is dual to the compression spectrum. The equality (g) implies, in particular, that $\sigma(T,X)=\sigma_{ap}(T,X)$ if $X$ is a Hilbert space and $T$ is normal. Roughly speaking, this shows that normal (in particular, self-adjoint) operators on Hilbert spaces are most similar to matrices in finite dimensional spaces (see Appell et al. [7]). ### 3.3. Goldberg’s Classification of Spectrum If $X$ is a Banach space and $T\in B(X)$, then there are three possibilities for $R(T)$: * (A) $\quad R(T)=X$. * (B) $\quad R(T)\neq\overline{R(T)}=X$. * (C) $\quad\overline{R(T)}\neq X$. and * (1) $\quad T^{-1}$ exists and is continuous. * (2) $\quad T^{-1}$ exists but is discontinuous. * (3) $\quad T^{-1}$ does not exist. If these possibilities are combined in all possible ways, nine different states are created. These are labelled by: $A_{1}$, $A_{2}$, $A_{3}$, $B_{1}$, $B_{2}$, $B_{3}$, $C_{1}$, $C_{2}$, $C_{3}$. If an operator is in state $C_{2}$ for example, then $\overline{R(T)}\neq X$ and $T^{-1}$ exists but is discontinuous (see Goldberg [13]). $C_{3}$$C_{2}$$C_{1}$$B_{3}$$B_{2}$$B_{1}$$A_{3}$$A_{2}$$A_{1}$$C_{3}$$C_{2}$$C_{1}$$B_{3}$$B_{2}$$B_{1}$$A_{3}$$A_{2}$$A_{1}$$T$$T^{*}$Table 1.1: State diagram for $B(X)$ and $B(X^{\ast})$ for a non-reflective Banach space $X$ If $\alpha$ is a complex number such that $T_{\alpha}\in A_{1}$ or $T_{\alpha}\in B_{1}$, then $\alpha\in\rho(T,X)$. All scalar values of $\alpha$ not in $\rho(T,X)$ comprise the spectrum of $T$. The further classification of $\sigma(T,X)$ gives rise to the fine spectrum of $T$. That is, $\sigma(T,X)$ can be divided into the subsets $A_{2}\sigma(T,X)=\emptyset$, $A_{3}\sigma(T,X)$, $B_{2}\sigma(T,X)$, $B_{3}\sigma(T,X)$, $C_{1}\sigma(T,X)$, $C_{2}\sigma(T,X)$, $C_{3}\sigma(T,X)$. For example, if $T_{\alpha}$ is in a given state, $C_{2}$ (say), then we write $\alpha\in C_{2}\sigma(T,X)$. By the definitions given above, we can illustrate the subdivision (3.1) in the following table: | | 1 | 2 | 3 ---|---|---|---|--- | | $T^{-1}_{\alpha}$ exists | $T^{-1}_{\alpha}$ exists | $T^{-1}_{\alpha}$ | | and is bounded | and is unbounded | does not exist | | | | $\alpha\in\sigma_{p}(T,X)$ A | $R(\alpha I-T)=X$ | $\alpha\in\rho(T,X)$ | – | $\alpha\in\sigma_{ap}(T,X)$ | | | $\alpha\in\sigma_{c}(T,X)$ | $\alpha\in\sigma_{p}(T,X)$ B | $\overline{R(\alpha I-T)}=X$ | $\alpha\in\rho(T,X)$ | $\alpha\in\sigma_{ap}(T,X)$ | $\alpha\in\sigma_{ap}(T,X)$ | | | $\alpha\in\sigma_{\delta}(T,X)$ | $\alpha\in\sigma_{\delta}(T,X)$ | | $\alpha\in\sigma_{r}(T,X)$ | $\alpha\in\sigma_{r}(T,X)$ | $\alpha\in\sigma_{p}(T,X)$ C | $\overline{R(\alpha I-T)}\not=X$ | $\alpha\in\sigma_{\delta}(T,X)$ | $\alpha\in\sigma_{ap}(T,X)$ | $\alpha\in\sigma_{ap}(T,X)$ | | | $\alpha\in\sigma_{\delta}(T,X)$ | $\alpha\in\sigma_{\delta}(T,X)$ | | $\alpha\in\sigma_{co}(T,X)$ | $\alpha\in\sigma_{co}(T,X)$ | $\alpha\in\sigma_{co}(T,X)$ Table 1.2: Subdivision of spectrum of a linear operator One can observe by the closed graph theorem that in the case $A_{2}$ cannot occur in a Banach space $X$. If we are not in the third column of Table 1.2, i.e., if $\alpha$ is not an eigenvalue of $T$, we may always consider the resolvent operator $T^{-1}_{\alpha}$ (on a possibly thin domain of definition) as algebraic inverse of $\alpha I-T$. The forward difference operator $\Delta$ is represented by the matrix $\displaystyle\Delta=\left[\begin{array}[]{cccccc}1&-1&0&0&\ldots\\\ 0&1&-1&0&\ldots\\\ 0&0&1&-1&\ldots\\\ 0&0&0&1&\ldots\\\ \vdots&\vdots&\vdots&\vdots&\ddots\end{array}\right].$ ###### Corollary 3.2. $\Delta:h\rightarrow h$ is a bounded linear operator. ## 4\. On the fine spectrum of the forward difference operator on the Hahn space In this section, we determine the spectrum and fine spectrum of the forward difference operator $\Delta$ on the Hahn space $h$ and calculate the norm of the operator ###### Theorem 4.1. $\sigma(\Delta,h)=\left\\{\alpha\in\mathbb{C}:\left|1-\alpha\right|\leq 1\right\\}$. ###### Proof. Let $\left|1-\alpha\right|>1$. Since $\Delta-\alpha I$ is triangle, $(\Delta-\alpha I)^{-1}$ exists and solving the matrix equation $(\Delta-\alpha I)x=y$ for $x$ in terms of $y$ gives the matrix $(\Delta-\alpha I)^{-1}=B=(b_{nk})$, where $\displaystyle b_{nk}=\left\\{\begin{array}[]{ccl}\frac{1}{(1-\alpha)^{n+1}}&,&0\leq k\leq n,\\\ 0&,&k>n\end{array}\right.$ for all $k,n\in\mathbb{N}$. Thus, we observe that $\displaystyle\|(\Delta-\alpha I)^{-1}\|_{(h:h)}$ $\displaystyle=$ $\displaystyle\sum_{n=1}^{\infty}n|b_{nk}-b_{n+1,k}|$ $\displaystyle\leq$ $\displaystyle\sum_{n=1}^{\infty}n|b_{nk}|+\sum_{n=1}^{\infty}n|b_{n+1,k}|$ $\displaystyle=$ $\displaystyle\sum_{n=1}^{\infty}\frac{n}{|1-\alpha|^{n+1}}+\sum_{n=1}^{\infty}\frac{n}{|1-\alpha|^{n+2}}.$ From the ratio test, we have $\displaystyle\|(\Delta-\alpha I)^{-1}\|_{(h:h)}<\infty,$ that is, $(\Delta-\alpha I)^{-1}\in(h:h)$. But for $\left|1-\alpha\right|\leq 1$, $\displaystyle\|(\Delta-\alpha I)^{-1}\|_{(h:h)}=\infty,$ that is, $(\Delta-\alpha I)^{-1}$ is not in $B(h)$. This completes the proof. ∎ ###### Theorem 4.2. $\sigma_{p}(\Delta,h)=\emptyset$. ###### Proof. Suppose that $\Delta x=\alpha x$ for $x\neq\theta$ in $h$. Then, by solving the system of linear equations $\displaystyle\begin{array}[]{rcl}x_{0}&=&\alpha x_{0},\\\ -x_{0}+x_{1}&=&\alpha x_{1}\\\ -x_{1}+x_{2}&=&\alpha x_{2}\\\ &\vdots&\\\ -x_{n-1}+x_{n}&=&\alpha x_{n}\\\ \\\ &\vdots&\end{array}$ we find that if $x_{n_{0}}$ is the first nonzero entry of the sequence $x=(x_{n})$, then $\alpha=1$. From the equality $-x_{n_{0}}+x_{n_{0}+1}=\alpha x_{n_{0}+1}$ we have $x_{n_{0}}$ is zero. This contradicts the fact that $x_{n_{0}}\neq 0$, which completes the proof. ∎ ###### Theorem 4.3. $\sigma_{p}(\Delta^{\ast},h^{\ast})=\left\\{\alpha\in\mathbb{C}:\left|1-\alpha\right|<1\right\\}$. ###### Proof. Suppose that $\Delta^{\ast}x=\alpha x$ for $x\neq\theta$ in $h^{\ast}\cong\sigma_{\infty}$. Then, by solving the system of linear equations $\displaystyle\begin{array}[]{rcl}x_{0}-x_{1}&=&\alpha x_{0},\\\ x_{1}-x_{2}&=&\alpha x_{1},\\\ &\vdots&\\\ x_{n-1}-x_{n}&=&\alpha x_{n},\\\ &\vdots&\end{array}$ we observe that $x_{n}=(1-\alpha)^{n}x_{0}$. Therefore, $\stackrel{{\scriptstyle}}{{\underset{n}{\sup}}}\frac{|x_{0}|}{n}\stackrel{{\scriptstyle n}}{{\underset{k=1}{\sum}}}|1-\alpha|^{k}<\infty$ if and only if $|1-\alpha|<1$. This step concludes the proof. ∎ If $T\in B(h)$ with the matrix $A$, then it is known that the adjoint operator $T^{\ast}:h^{\ast}\rightarrow h^{\ast}$ is defined by the transpose $A^{t}$ of the matrix $A$. It should be noted that the dual space $h^{\ast}$ of $h$ is isometrically isomorphic to the Banach space $\sigma_{\infty}$ of absolutely summable sequences normed by $\|x\|=\stackrel{{\scriptstyle\infty}}{{\underset{k=0}{\sum}}}k|x_{k}-x_{k+1}|$. ###### Lemma 4.4. [13, p. 59] $T$ has a dense range if and only if $T^{\ast}$ is one to one. ###### Theorem 4.5. $\sigma_{r}(\Delta,h)=\sigma_{p}(\Delta^{\ast},h^{\ast})$. ###### Proof. For $\left|1-\alpha\right|<1$, the operator $\Delta-\alpha I$ is triangle, so has an inverse. But $\Delta^{\ast}-\alpha I$ is not one to one by Theorem 4.3. Therefore by Lemma 4.4, $\overline{R(\Delta-\alpha I)}\neq h$ and this step concludes the proof. ∎ ###### Theorem 4.6. $\sigma_{c}(\Delta,h)=\left\\{\alpha\in\mathbb{C}:\left|1-\alpha\right|=1\right\\}$. ###### Proof. For $\left|1-\alpha\right|<1$, the operator $\Delta-\alpha I$ is triangle, so has an inverse but is unbounded. Also $\Delta^{\ast}-\alpha I$ is one to one by Theorem 4.3. By Lemma 4.4, $\overline{R(\Delta-\alpha I)}=h$. Thus, the proof is completed. ∎ ###### Theorem 4.7. $A_{3}\sigma(\Delta,h)=B_{3}\sigma(\Delta,h)=C_{3}\sigma(\Delta,h)=\emptyset$. ###### Proof. From Theorem 4.2 and Table 1.2., $A_{3}\sigma(\Delta,h)=B_{3}\sigma(\Delta,h)=C_{3}\sigma(\Delta,h)=\emptyset$ is observed. ∎ ###### Theorem 4.8. $C_{1}\sigma(\Delta,h)=\emptyset$ and $\alpha\in\sigma_{r}(\Delta,h)\cap C_{2}\sigma(\Delta,h)$. ###### Proof. We know $C_{1}\sigma(\Delta,h)\cup C_{2}\sigma(\Delta,h)=\sigma_{r}(\Delta,h)$ from Table 1.2. For $\alpha\in\sigma_{r}(\Delta,h)$, the operator $(\Delta-\alpha I)^{-1}$ is unbounded by Theorem 4.1. So $C_{1}\sigma(\Delta,h)=\emptyset$. This completes the proof. ∎ ###### Theorem 4.9. The following results hold: 1. (a) $\sigma_{ap}(\Delta,h)=\sigma(\Delta,h)$. 2. (b) $\sigma_{\delta}(\Delta,h)=\sigma(\Delta,h)$. 3. (c) $\sigma_{co}(\Delta,h)=\left\\{\alpha\in\mathbb{C}:\left|1-\alpha\right|<1\right\\}$. ###### Proof. (a) Since $\sigma_{ap}(\Delta,h)=\sigma(\Delta,h)\backslash C_{1}\sigma(\Delta,h)$ from Table 1.2. and $C_{1}\sigma(\Delta,h)=\emptyset$ by Theorem 4.8, we have $\sigma_{ap}(\Delta,h)=\sigma(\Delta,h)$. (b) Since $\sigma_{\delta}(\Delta,h)=\sigma(\Delta,h)\backslash A_{3}\sigma(\Delta,h)$ from Table 1.2 and $A_{3}\sigma(\Delta,h)=\emptyset$ by Theorem 4.7, we have $\sigma_{\delta}(\Delta,h)=\sigma(\Delta,h)$. (c) Since the equality $\sigma_{co}(\Delta,h)=C_{1}\sigma(\Delta,h)\cup C_{2}\sigma(\Delta,h)\cup C_{3}\sigma(\Delta,h)$ holds from Table 1.2, we have $\sigma_{co}(\Delta,h)=\left\\{\alpha\in\mathbb{C}:\left|1-\alpha\right|<1\right\\}$ by Theorems 4.8 and 4.9. ∎ The next corollary can be obtained from Proposition 2.1. ###### Corollary 4.10. The following results hold: 1. (a) $\sigma_{ap}(\Delta^{\ast},\ell_{1})=\sigma(\Delta,h)$. 2. (b) $\sigma_{\delta}(\Delta^{\ast},\ell_{1})=\left\\{\alpha:\left|\alpha-(2-\delta)^{-1}\right|=(1-\delta)(2-\delta)\right\\}\cup E$. 3. (c) $\sigma_{p}(\Delta^{\ast},\ell_{1})=\left\\{\alpha\in\mathbb{C}:\left|\alpha-(2-\delta)^{-1}\right|<(1-\delta)/(2-\delta)\right\\}\cup S$. ## 5\. Conclusion Hahn [15] defined the space $h$ and gave its some general properties. Goes and Goes [12] studied the functional analytic properties of the space $h$. The study on the Hahn sequence space was initiated by Rao [22] with certain specific purpose in Banach space theory. Also Rao [22] emphasized on some matrix transformations. Rao and Srinivasalu [23] introduced a new class of sequence space called the semi replete space. Rao and Subramanian [24] defined the semi Hahn space and proved that the intersection of all semi Hahn spaces is Hahn space. Balasubramanian and Pandiarani [8] defined the new sequence space $h(F)$ called the Hahn sequence space of fuzzy numbers and proved that $\beta-$ and $\gamma-$duals of $h(F)$ is the Cesàro space of the set of all fuzzy bounded sequences. The sequence space $h$ was introduced by Hahn [15] and Goes and Goes [12], and Rao [22, 23, 24] investigated some properties of the space $h$. 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arxiv-papers
2014-02-24T11:03:03
2024-09-04T02:49:58.719726
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Medine Ye\\c{s}ilkayagil, Murat Kiri\\c{s}ci", "submitter": "Murat Kiri\\c{s}ci", "url": "https://arxiv.org/abs/1402.5788" }
1402.5826
# Depth and Stanley Depth of the Canonical Form of a factor of monomial ideals Adrian Popescu Adrian Popescu, Department of Mathematics, University of Kaiserslautern, Erwin-Schrödinger-Str., 67663 Kaiserslautern, Germany [email protected] ###### Abstract. We introduce a so called canonical form of a factor of two monomial ideals. The depth and the Stanley depth of such a factor is invariant under taking the canonical form. This can be seen using a result of Okazaki and Yanagawa [7]. In the case of depth we present in this paper a different proof. It follows easily that the Stanley Conjecture holds for the factor if and only if it holds for its canonical form. In particular, we construct an algorithm which simplifies the depth computation and using the canonical form we massively reduce the run time for the sdepth computation. The support from the Department of Mathematics of the University of Kaiserslautern is gratefully acknowledged. ## 1\. Introduction Let $K$ be a field and $S=K[x_{1},\ldots,x_{n}]$ be the polynomial ring over $K$ in $n$ variables. A Stanley decomposition of a graded $S-$module $M$ is a finite family $\mathcal{D}=(S_{i},u_{i})_{i\in I}$ in which $u_{i}$ are homogeneous elements of $M$ and $S_{i}$ are graded $K-$algebra retract if $S$ for all $i\in I$ such that $S_{i}\cap\operatorname{Ann}(u_{i})=0$ and $M=\displaystyle\bigoplus_{i\in I}S_{i}u_{i}$ as a graded $K-$vector space. The Stanley depth of $\mathcal{D}$, denoted by $\operatorname{sdepth}(\mathcal{D})$, is the depth of the $S-$module $\displaystyle\bigoplus_{i\in I}S_{i}u_{i}$. The Stanley depth of $M$ is defined as $\operatorname{sdepth}\ (M):=\operatorname{max}\\{\operatorname{sdepth}\ ({\mathcal{D}})\ |\ {\mathcal{D}}\;\text{is a Stanley decomposition of}\;I\\}.$ Another definition of sdepth using partitions is given in [4]. Stanley’s Conjecture [12] states that the Stanley depth $\operatorname{sdepth}(M)$ is $\geq\operatorname{depth}\ (M)$. Let $J\subsetneq I\subset S$ be two monomial ideals in $S$. In [5], Ichim et. al. studied the sdepth and depth of the factor $\nicefrac{{I}}{{J}}$ under polarization and reduced the Stanley’s Conjecture to the case when the ideals are monomial squarefree. This is possible the best result from the last years concerning Stanley’s depth. It is worth to mention that this result is not very useful for computing sdepth since it introduces a lot of new variables. In the squarefree case there are not many known results about the Stanley conjecture (see for example [9]). Another result of [5] which helps in the sdepth computation is the following proposition, which extends [2, Lemma 1.1], [6, Lemma 2.1]. ###### Proposition 1. [5, Proposition 5.1] Let $k\in{\mathbb{N}}$ and $I^{\prime\prime}$, $J^{\prime\prime}$ be the monomial ideals obtained from $I$, $J$ in the following way: Each generator whose degree in $x_{n}$ is at least $k$ is multiplied by $x_{n}$ and all other generators are taken unchanged. Then $\operatorname{sdepth}_{S}\nicefrac{{I}}{{J}}=\operatorname{sdepth}_{S}\nicefrac{{I^{\prime\prime}}}{{J^{\prime\prime}}}$. Inspired by this proposition we introduce a canonical form of a factor $\nicefrac{{I}}{{J}}$ of monomial ideals (see Definition 2) and we prove easily that sdepth is invariant under taking the canonical form (see Theorem 1). This leads us to the idea to study also the depth case (see Theorem 2). Theorem 3 says that Stanley’s Conjecture holds for a factor of monomial ideals if and only if it holds for its canonical form. As a side result, in the depth (respectively sdepth) computation algorithm for $\nicefrac{{I}}{{J}}$, one can first compute the canonical form and use the algorithm on this new much more simpler module (see the Appendix). In Example 3 we conclude that the $\operatorname{depth}$ and $\operatorname{sdepth}$ algorithms are faster when considering the canonical form: using CoCoA[1], Singular[3] and Rinaldo’s $\operatorname{sdepth}$ computation algorithm [11] we see a small decrease in the $\operatorname{depth}$ case timing, but in the $\operatorname{sdepth}$ case the run time is massively reduced. We hope that our algorithm together with the one from [8] will be used very often in problems concerning monomial ideals. We owe thanks to Y.-H. Shen who noticed our results in a previous arXiv version and showed us the papers of Okazaki and Yanagawa [7] and [13], because they are strongly connected with our topic. Indeed Proposition 1 and Corollary 1 follow from [7, Theorem 5.2] (see also [7, Section 2,3]). However, our proofs of Lemma 2 and Corollary 1 are completely different from those appeared in the quoted papers and we keep them for the sake of our completeness. ## 2\. The canonical form of a factor of monomial ideals Let $R=K[x_{1},\ldots,x_{n-1}]$ be the polynomial $K$-algebra over a field $K$ and $S:=R[x_{n}]$. Consider $J\subsetneq I\subset R$ two monomial ideals and denote by $G(I)$, respectively $G(J)$, the minimal (monomial) system of generators of $I$, respectively $J$. ###### Definition 1. The power $x_{n}^{r}$ enters in a monomial $u$ if $x_{n}^{r}|u$ but $x_{n}^{r+1}\nmid u$. We say that $I$ is of type $(k_{1},\ldots,k_{s})$ with respect to $x_{n}$ if $x_{n}^{k_{i}}$ are all the powers of $x_{n}$ which enter in a monomial of $G(I)$ for $i\in[s]$ and $1\leq k_{1}<\ldots<k_{s}$. $I$ is in the canonical form with respect to $x_{n}$ if $I$ is of type $(1,\ldots,s)$ for some $s\in{\mathbb{N}}$. We simply say that $I$ is the canonical form if it is in the canonical form with respect to all variables $x_{1},\ldots,x_{n}$. ###### Remark 1. Suppose that $I$ is of type $(k_{1},\ldots,k_{s})$ with respect to $x_{n}$. It is easy to get the canonical form $I^{\prime}$ of $I$ with respect to $x_{n}$: replace $x_{n}^{k_{i}}$ by $x_{n}^{i}$ whenever $x_{n}^{k_{i}}$ enters in a generators of $G(I)$. Applying by recurrence this procedure for other variables we get the canonical form of $I$, that is with respect to all variables. Note that a squarefree monomial ideal is of type $(1)$ with respect to each $x_{i}$ and it is in the canonical form with respect to $x_{i}$, so in this case $I^{\prime}=I$. ###### Definition 2. Let $J\subsetneq I\subset S$ two monomial ideals. We say that $\nicefrac{{I}}{{J}}$ is of type $(k_{1},\ldots,k_{s})$ with respect to $x_{n}$ if $x_{n}^{k_{i}}$ are all the powers of $x_{n}$ which enter in a monomial of $G(I)\cup G(J)$ for $i\in[s]$ and $1\leq k_{1}<\ldots<k_{s}$. All the terminology presented in Definition 1 will extend automatically to the factor case. Thus we may speak about the canonical form $\overline{\nicefrac{{I}}{{J}}}$ of $\nicefrac{{I}}{{J}}$. ###### Remark 2. In order to compute the canonical form with respect to $x_{n}$ of the $(k_{1},\ldots,k_{s})-$type factor $\nicefrac{{I}}{{J}}$, one will replace $x_{n}^{k_{i}}$ by $x_{n}^{i}$ whenever $x_{n}^{k_{i}}$ enters a generator of $G(I)\cup G(J)$. ###### Example 1. We present some examples where we compute the canonical form of a monomial ideal, respectively a factor of two monomial ideals. 1. (1) Consider $S=\mathbb{Q}[x,y]$ and the monomial ideal $I=(x^{4},x^{3}y^{7})$. Then the canonical form of $I$ is $I^{\prime}=(x^{2},xy)$. 2. (2) Consider $S=\mathbb{Q}[x,y,z]$, $I=(x^{10}y^{5},x^{4}yz^{7},z^{7}y^{3})$ and $J=(x^{10}y^{20}z^{2},x^{3}y^{4}z^{13},x^{9}y^{2}z^{7})$. The canonical form of $\nicefrac{{I}}{{J}}$ is $\overline{\nicefrac{{I}}{{J}}}=\displaystyle\frac{(x^{4}y^{5},x^{2}yz^{2},y^{3}z^{2})}{(x^{4}y^{6}z,xy^{4}z^{3},x^{3}y^{2}z^{2})}$. The canonical form of a factor of monomial ideals $\nicefrac{{I}}{{J}}$ is not usually the factor of the canonical forms of $I$ and $J$ as shows the following example. ###### Example 2. Let $S=\mathbb{Q}[x,y]$, $I=(x^{4},y^{10},x^{2}y^{7})$ be and $J=(x^{20},y^{30})$. The canonical form of $I$ is $I^{\prime}=(x^{2},y^{2},xy)$ and the canonical form of $J$ is $J^{\prime}=(x,y)$. Then $J^{\prime}\not\subset I^{\prime}$. But the canonical form of the factor $\nicefrac{{I}}{{J}}$ is $\overline{\nicefrac{{I}}{{J}}}=\displaystyle\frac{(x^{2},y^{2},xy)}{(x^{3},y^{3})}$. Using Proposition 1, we see that the Stanley depth of a monomial ideal does not change when considering its canonical form. ###### Theorem 1. Let $I$, $J$ be monomial ideals in $S$ and $\overline{\nicefrac{{I}}{{J}}}$ the canonical form of $\nicefrac{{I}}{{J}}$. Then $\operatorname{sdepth}_{S}\nicefrac{{I}}{{J}}=\operatorname{sdepth}_{S}\overline{\nicefrac{{I}}{{J}}}.$ The proof goes applying inductively the following lemma. ###### Lemma 1. Suppose that $\nicefrac{{I}}{{J}}$ is of type $(k_{1},\ldots,k_{s})$ with respect to $x_{n}$ and $k_{j}+1<k_{j+1}$ for some $0\leq j<s$ (we set $k_{0}=0$). Let $G(I^{\prime})$ (resp. $G(J^{\prime})$) be the set of monomials obtained from $G(I)$ (resp. $G(J)$) by substituting $x_{n}^{k_{i}}$ by $x_{n}^{k_{i}-1}$ for $i>j$ whenever $x_{n}^{k_{i}}$ enters in a monomial of $G(I)$ (resp. $G(J)$). Let $I^{\prime}$ and $J^{\prime}$ be the ideals generated by $G(I^{\prime})$ and $G(J^{\prime})$. Then $\operatorname{sdepth}_{S}\nicefrac{{I}}{{J}}=\operatorname{sdepth}_{S}\nicefrac{{I^{\prime}}}{{J^{\prime}}}.$ The proof of Lemma 1 follows from the proof of [5, Proposition 5.1] (see here Proposition 1). Next we focus on the $\operatorname{depth}\nicefrac{{I}}{{J}}$ and $\operatorname{depth}\overline{\nicefrac{{I}}{{J}}}$. The idea of the proof of the following lemma is taken from [10, Section 2]. ###### Lemma 2. Let $I_{0}\subset I_{1}\subset\ldots\subset I_{e}\subset R$, $J\subset S$, $U_{0}\subset U_{1}\subset\ldots\subset U_{e}\subset R$, $V\subset S$ be some graded ideals of $S$, respectively $R$, such that $U_{i}\subset I_{i}$ for $0\leq i\leq e$, $I_{e}\subset J$, $V\subset J$ and $U_{e}\subset V$. Consider $T_{k}=\displaystyle\sum_{i=0}^{e}x_{n}^{i}I_{i}S+x_{n}^{k}J$ and $W_{k}=\displaystyle\sum_{i=0}^{e}x_{n}^{i}U_{i}S+x_{n}^{k}V$ for $k>e$. Then $\operatorname{depth}_{S}\displaystyle\frac{T_{k}}{W_{k}}$ is constant for all $k>e$. ###### Proof. Consider the following linear subspaces of $S$: $I:=\displaystyle\sum_{i=0}^{e}x_{n}^{i}I_{i}$ and $U:=\displaystyle\sum_{i=0}^{e}x_{n}^{i}U_{i}$. Note that $I$ and $U$ are not ideals in $S$. If $I=U$, then the claim follows easily from the next chain of isomorphisms $\displaystyle\frac{T_{k}}{W_{k}}\cong\displaystyle\frac{x_{n}^{k}J}{x_{n}^{k}J\cap(I+x_{n}^{k}V)S}\cong\displaystyle\frac{x_{n}^{k}J}{x_{n}^{k}(I+V)S}\cong\displaystyle\frac{J}{(I+V)S}$ for all $k>e$, and hence $\operatorname{depth}_{S}\displaystyle\frac{T_{k}}{W_{k}}$ is constant for all $k>e$. Assume now that $I\neq U$ and consider the following exact sequence $0\rightarrow\displaystyle\frac{J}{V}\xrightarrow{\cdot x_{n}^{k}}\displaystyle\frac{T_{k}}{W_{k}}\rightarrow\displaystyle\frac{T_{k}}{W_{k}+x_{n}^{k}J}\rightarrow 0,$ where the last term we denote by $H_{k}$. Note that $H_{k}\cong\displaystyle\frac{IS}{IS\cap(U+x_{n}^{k}J)S}$ and $IS\cap(U+x_{n}^{k}J)S=US+x_{n}^{k}IS$. Since $x_{n}^{k}H_{k}=0$, $H_{k}$ is a $\nicefrac{{S}}{{(x_{n}^{k})}}-$module. Then $\operatorname{depth}_{S}H_{k}=\operatorname{depth}_{\nicefrac{{S}}{{(x_{n}^{k})}}}H_{k}=\operatorname{depth}_{R}H_{k}$ because the graded maximal ideal $m$ of $R$ generates a zero dimensional ideal in $\nicefrac{{S}}{{(x_{n}^{k})}}$. But $H_{k}$ over $R$ is isomorphic with $\displaystyle\frac{\oplus_{i=0}^{k-1}I_{i}}{\oplus_{i=0}^{k-1}U_{i}}\cong\bigoplus_{i=0}^{k-1}\displaystyle\frac{I_{i}}{U_{i}}$, where $I_{i}=I_{e}$ and $U_{i}=U_{e}$ for $e<i<k$. It follows that $t:=\operatorname{depth}_{S}H_{k}=\operatorname{min}_{i}\left\\{\operatorname{depth}_{R}\displaystyle\frac{I_{i}}{U_{i}}\right\\}$. If $\operatorname{depth}_{S}\displaystyle\frac{J}{V}=0$, then the Depth Lemma gives us $\operatorname{depth}_{S}\displaystyle\frac{T_{k}}{W_{k}}=t=0$ for all $k>e$ and hence we are done. Therefore we may suppose that $\operatorname{depth}_{S}\displaystyle\frac{J}{V}>0$. Note that $t>0$ implies $\operatorname{depth}_{S}\displaystyle\frac{T_{k}}{W_{k}}>0$ by the Depth Lemma since otherwise $\operatorname{depth}_{S}\displaystyle\frac{T_{k}}{W_{k}}=\operatorname{depth}_{S}\displaystyle\frac{J}{V}=0$, which is false. Next we will split the proof in two cases. $\circ$ Case $t=0$. Let ${\mathcal{F}}=\big{\\{}i\in\\{0,\ldots,e\\}\ \big{|}\ \operatorname{depth}_{R}\nicefrac{{I_{i}}}{{U_{i}}}=0\big{\\}}$ and $L_{i}\subset I_{i}$ be the graded ideal containing $U_{i}$ such that $\nicefrac{{L_{i}}}{{U_{i}}}\cong H_{m}^{0}(\nicefrac{{I_{i}}}{{U_{i}}})$. If $i\in{\mathcal{F}}$ and there exists $u\in(L\cap V)\setminus U_{i}$ then $(m^{s},x_{n}^{k})x_{n}^{i}u\subset W_{k}$ for some $s\in{\mathbb{N}}$, that is $\operatorname{depth}_{S}\displaystyle\frac{T_{k}}{W_{k}}=0$ for all $k>e$. Now consider the case when $L_{i}\cap V=U_{i}$ for all $i\in{\mathcal{F}}$. If $i\in{\mathcal{F}}$ then note that $L_{i}\subset L_{j}$ for $i<j\leq e$. Set $V^{\prime}=V+L_{e}S$, $U^{\prime}=U+\displaystyle\sum_{i\in{\mathcal{F}}}x_{n}^{i}L_{i}$ and $W^{\prime}_{k}:=U^{\prime}S+x_{n}^{k}V^{\prime}=U^{\prime}S+x_{n}^{k}V$ because $x_{n}^{k}L_{e}S\subset U^{\prime}S$. Consider the following exact sequence $0\rightarrow\displaystyle\frac{W^{\prime}_{k}}{W_{k}}\rightarrow\displaystyle\frac{T_{k}}{W_{k}}\rightarrow\displaystyle\frac{T_{k}}{W_{k}^{\prime}}\rightarrow 0.$ For the last term we have $H_{m}^{0}(\nicefrac{{I_{j}}}{{U^{\prime}_{j}}})=0$, $0\leq j\leq e$ and so the new $t>0$, which is our next case. Thus we get $\operatorname{depth}_{S}\displaystyle\frac{T_{k}}{W^{\prime}_{k}}>0$ is constant for $k>e$. The first term is isomorphic to $\displaystyle\frac{U^{\prime}S}{U^{\prime}S\cap W_{k}}$. But $U^{\prime}S\cap W_{k}=US+(U^{\prime}S\cap x_{n}^{k}V)$ since $US\subset U^{\prime}S$. Since $U^{\prime}S\cap(x_{n}^{k}S)=x_{n}^{k}(U_{e}+L_{e})S$ and $U_{e}\subset V$ it follows that $U^{\prime}S\cap x_{n}^{k}V=x_{n}^{k}US+(x_{n}^{k}L_{e}S\cap x_{n}^{k}VS)=x_{n}^{k}US$. Consequently, the first term from the above exact sequence is isomorphic with $\displaystyle\frac{U^{\prime}S}{US}$. Note that the annihilator of the element induced by some $u\in L_{e}\setminus V$ in $\nicefrac{{U^{\prime}S}}{{US}}$ contains a power of $m$ and so $\operatorname{depth}_{S}\displaystyle\frac{U^{\prime}S}{US}\leq 1$. The inequality is equality since $x_{n}$ is regular on $\nicefrac{{U^{\prime}S}}{{US}}$. By the Depth Lemma we get $\operatorname{depth}_{S}\displaystyle\frac{T_{k}}{W_{k}}=1$ for all $k>e$. $\circ$ Case $t>0$. If $\operatorname{depth}_{R}\displaystyle\frac{J}{V}\leq t=\operatorname{depth}_{S}H_{k}$ then the Depth Lemma gives us again the claim, i.e. $\operatorname{depth}_{S}\displaystyle\frac{T_{k}}{W_{k}}=\operatorname{depth}_{S}\displaystyle\frac{J}{V}$ for all $k>e$. Assume that $\operatorname{depth}_{S}\displaystyle\frac{J}{V}>t$. Apply induction on $t$, the initial step $t=0$ being done in the first case. Suppose that $t>0$. Then $\operatorname{depth}_{S}\displaystyle\frac{J}{V}>t>0$ implies that $\operatorname{depth}_{S}\displaystyle\frac{J}{V}\geq 2$ and so we may find a homogeneous polynomial $f\in m$ that is regular on $\displaystyle\frac{J}{V}$. Moreover we may find $f$ to be regular also on all $\displaystyle\frac{I_{i}}{U_{i}}$, $i\leq e$. Then $f$ is regular on $\displaystyle\frac{T_{k}}{W_{k}}$. Set $V^{\prime\prime}:=V+fJ$ and $U^{\prime\prime}_{i}:=U_{i}+fI_{i}$ for all $i\leq e$ and set $W^{\prime\prime}_{k}:=\displaystyle\sum_{i=0}^{e}x_{n}^{i}U^{\prime\prime}_{i}S+x_{n}^{k}V^{\prime\prime}$. By Nakayama’s Lemma we get $U^{\prime\prime}\neq U$, and therefore $\operatorname{depth}_{R}\displaystyle\frac{I}{U^{\prime\prime}}=t-1$ and by induction hypothesis it results that $\operatorname{depth}_{S}\displaystyle\frac{T_{k}}{W_{k}}=1+\operatorname{depth}_{S}\displaystyle\frac{T_{k}}{W^{\prime\prime}_{k}}=$ constant for all $k>e$. Finally, note that we may pass from the first case to the second one and conversely. In this way $U$ increases at each step. By Noetherianity at last we may arrive in finite steps to the case $I=U$, which was solved at the beginning. ∎ The next corollary is in fact [5, Proposition 5.1] (see Proposition 1) for depth. It follows easily from Lemma 2 but also from [7, Proposition 5.2] (see also [13, Sections 2, 3]. ###### Corollary 1. Let $e\in\mathbb{N}$, $I$ and $J$ monomial ideals in $S:=K[x_{1},\ldots,x_{n}]$. Consider $I^{\prime}$ and $J^{\prime}$ be the monomial ideals obtained from $I$ and $J$ in the following way: each generator whose degree in $x_{n}$ $\geq e$ is multiplied by $x_{n}$ and all the other generators are left unchanged. Then $\operatorname{depth}_{S}\nicefrac{{I}}{{J}}=\operatorname{depth}_{S}\nicefrac{{I^{\prime}}}{{J^{\prime}}}.$ This leads us to the equivalent result of Theorem 1 for depth. ###### Theorem 2. Let $I$ and $J$ be two monomial ideals in $S$ and $\overline{\nicefrac{{I}}{{J}}}$ the canonical form of $\nicefrac{{I}}{{J}}$. Then $\operatorname{depth}_{S}\nicefrac{{I}}{{J}}=\operatorname{depth}_{S}\overline{\nicefrac{{I}}{{J}}}.$ ###### Proof. Assume that $\nicefrac{{I}}{{J}}$ is of type $(k_{1},\ldots,k_{s})$ with respect to $x_{n}$ and obviously $\overline{\nicefrac{{I}}{{J}}}$ is of type $(1,2,\ldots,s)$ with respect to $x_{n}$. Starting with $\overline{\nicefrac{{I}}{{J}}}$, we apply Corollary 1 till we obtain an $\nicefrac{{I^{\prime}_{1}}}{{J^{\prime}_{1}}}$ of type $(k_{1},k_{1}+1,\ldots,k_{1}+s-1)$ having the same depth as $\overline{\nicefrac{{I}}{{J}}}$. We repeat the process until we get $\nicefrac{{I^{\prime}_{s}}}{{J^{\prime}_{s}}}$ of type $(k_{1},k_{2},\ldots,k_{s})$ with respect to $x_{n}$ with the unchanged depth. Now we iterate and take the next variable. At the very end the claim will follow. ∎ Theorem 1 and Theorem 2 give us the following theorem ###### Theorem 3. The Stanley conjecture holds for a factor of monomial ideals $\nicefrac{{I}}{{J}}$ if and only if it holds for its canonical form $\overline{\nicefrac{{I}}{{J}}}$. Using Theorem 2, instead of computing the $\operatorname{depth}$ or the $\operatorname{sdepth}$ of $\nicefrac{{I}}{{J}}$, $J\subsetneq I\subset S$, we can compute it for the simpler module $\overline{\nicefrac{{I}}{{J}}}$. ###### Example 3. We present the different timings for the depth and sdepth computation algorithms with and without extracting the canonical form. Singular[3] was used in the depth computations while CoCoA [1] and Rinaldo’s paper[11] were used for the Stanley depth computation. 1. (1) Consider the ideals from Example 1(2). Timing for $\operatorname{sdepth}\nicefrac{{I}}{{J}}$ computation: 22s. Timing for $\operatorname{sdepth}\overline{\nicefrac{{I}}{{J}}}$ computation: 74 ms. 2. (2) Consider $R=\mathbb{Q}[x,y,z]$ and $I=(x^{100}yz,x^{50}yz^{50},x^{50}y^{50}z)$. Then the canonical form is $I^{\prime}=(x^{2}yz,xyz^{2},xy^{2}z)$. Timing for $\operatorname{sdepth}I$ computation: 13m 3s. Timing for $\operatorname{sdepth}I^{\prime}$ computation: 21 ms. Notice that the difference in timings is very large. Therefore using the canonical form in the $\operatorname{sdepth}$ computation is a very important optimization step. On the other side, the $\operatorname{depth}$ computation is immediate in both cases. In the last example, the timing difference can be seen. 3. (3) Consider $R=\mathbb{Q}[x,y,z,t,v,a_{1},\ldots,a_{5}]$, $I=(v^{4}x^{12}z^{73},v^{87}t^{21}y^{13},x^{43}y^{18}z^{72}t^{28},vxy,vyz,vzt,vtx,a_{1}^{7000},a_{2}^{413};)$, $J=(v^{5}x^{13}z^{74},v^{88}t^{22}y^{14},x^{44}y^{19}z^{73}t^{29},v^{2}x^{2}y^{2},v^{2}y^{2}z^{2},v^{2}z^{2}t^{2},v^{2}t^{2}x^{2})$. Timing for $\operatorname{depth}\nicefrac{{I}}{{J}}$ computation: 16m 11s. Timing for $\operatorname{depth}\overline{\nicefrac{{I}}{{J}}}$ computation: 11m. ## 3\. Appendix We sketch the simple idea of the algorithm which computes the canonical form of a monomial ideal $I$. This can easily be extended to compute the canonical form of $\nicefrac{{I}}{{J}}$ by simple applying it for $G(I)\cup G(J)$ and afterwards extracting the generators corresponding to $I$ and $J$. This was used in Example 3. The algorithm is based on Remark 2: for each variable $x_{i}$ we build the list `gp` in which we save the pair $(g,p)$, were $p$ is chosen such that $x_{i}^{p}$ enters the $g-$generator of the monomial ideal $I$. This list will be sorted by the powers $p$ as in the following example ###### Example 4. Consider the ideal $I:=(x^{13},x^{4}y^{7},y^{7}z^{10})\subset\mathbb{Q}[x,y,z]$. Then for each variable we will obtain a different `gp` as shown below: * $\circ$ For the first variable $x$, `gp` is equal to 2 4 1 13 . Therefore $I$ is of type $(4,13)$ with respect to $x$. Hence, in order to obtain the canonical form with respect to $x$, one has to divide the second generator by $x^{4-1}=x^{3}$ and the first generator by $x^{13-2}=x^{11}$. After these computation we will get $I_{1}=(x^{2},xy^{7},y^{7}z^{10})$. Note that $I_{1}$ is in the canonical form w.r.t. $x$. * $\circ$ For the second variable $y$, `gp` is equal to 3 7 2 7 . Similar as above, one has to divide the second and the third generator by $y^{6}$, and hence it results $I_{2}=(x^{2},xy,yz^{10})$. Again, $I_{2}$ is in the canonical form w.r.t. $y$ and $x$. * $\circ$ For the last variable $z$, `gp` is equal to 3 10 . We divide the third generator of $I_{2}$ by $z^{9}$ and we get our final result $I^{\prime}=(x^{2},xy,yz)$., which is in the canonical form with respect to all variables. Based on the above idea, we construct two procedures: `putIn` and `canonical` $-$ the first one constructing the list `gp`, and the second one computing the canonical form of a monomial ideal. The proof of correctness and termination is trivial. The procedures were written in the Singular language. proc putIn(intvec v, int power, int nrgen) { if(size(v) == 1) { v[1] = nrgen; v[2] = power; return(v); } int i,j; if(power <= v[2]) { for(j = size(v)+2; j >=3; j--) { v[j] = v[j-2]; } v[1] = nrgen; v[2] = power; return(v); } if(power >= v[size(v)]) { v[size(v)+1] = nrgen; v[size(v)+1] = power; return(v); } for(j = size(v) + 2; (j>=4) && (power < v[j-2]); j = j-2) { v[j] = v[j-2]; v[j-1] = v[j-3]; } v[j] = power; v[j-1] = nrgen; return(v); } proc canonical(ideal I) { int i,j,k; intvec gp; ideal m; intvec v; v = 0:nvars(basering); for(i = 1; i<=nvars(basering); i++) { gp = 0; v[i] = 1; for(j = 1; j<=size(I); j++) { if(deg(I[j],v) >= 1) { gp = putIn(gp,deg(I[j],v),j); } } k = 0; if(size(gp) == 2) { I[gp[1]] = I[gp[1]]/(var(i)^(gp[2]-1)); } else { for(j = 1; j<=size(gp)-2;) { k++; I[gp[j]] = I[gp[j]]/(var(i)^(gp[j+1]-k)); j = j+2; while((j<=size(gp)-2) && (gp[j-1] == gp[j+1]) ) { I[gp[j]] = I[gp[j]]/(var(i)^(gp[j+1]-k)); j = j + 2; } } if(j == size(gp)-1) { if(gp[j-1] == gp[j+1]) { I[gp[j]] = I[gp[j]]/(var(i)^(gp[j+1]-k)); } else { k++; I[gp[j]] = I[gp[j]]/(var(i)^(gp[j+1]-k)); } } } v[i] = 0; } return(I); } ## References * [1] J. Abbott, A. M. Bigatti: CoCoALib: a C++ library for doing Computations in Commutative Algebra, available at http://cocoa.dima.unige.it/cocoalib * [2] M. Cimpoeas, Stanley depth of complete intersection monomial ideals, Bull. Math. Soc. Sc. Math. Roumanie 51(99), 205-211, (2008). * [3] W. Decker, G.-M. Greuel, G. Pfister, H. Schönemann: Singular 3-1-6 — A computer algebra system for polynomial computations. http://www.singular.uni-kl.de (2012). * [4] J. Herzog, M. Vladoiu, X. Zheng, How to compute the Stanley depth of a monomial ideal, J. Algebra, 322, 3151-3169, (2009). * [5] B. Ichim, L. Katthän, J. J. Moyano-Fernández, The behaviour of Stanley depth under polarization, arXiv:AC/1401.4309, (2014). * [6] M. Ishaq, M. I. Qureshi, Upper and lower bounds for the Stanley depth of certain classes of monomial ideals and their residue class rings, Communications in Algebra, Volume 41, 1107-1116, (2013) * [7] R. Okazaki, K. Yanagawa: Alexander duality and Stanley depth of multigraded modules, Journal of Algebra 340: 35-52, (2011). * [8] A. Popescu: An algorithm to compute the Hilbert depth, Journal of Symbolic Computation, 10.1016/j.jsc.2014.03.002, (2013), arXiv.org/AC/1307.6084v3 * [9] A. Popescu, D. Popescu, Four generated, squarefree, monomial ideals, to appear in Proceedings of the International Conference ”Experimental and Theoretical Methods in Algebra, Geometry, and Topology, June 20-24, 2013”, Editors Denis Ibadula, Willem Veys, Springer-Verlag, arxiv:AC/1309.4986v4, (2014) * [10] D. Popescu, An inequality between depth and Stanley depth, Bull. Math. Soc. Sc. Math. Roumanie 52(100), 377-382, (2009). * [11] G. Rinaldo, An algorithm to compute the Stanley depth of monomial ideals, Le Matematiche, Vol. LXIII, 243-256, (2008). * [12] R. P. Stanley, Linear Diophantine equations and local cohomology, Invent. Math. 68 175-193, (1982). * [13] K. Yanagawa, Sliding functor and polarization functor for multigraded modules, Cummunications in Algebra, 40: 1151-1166, (2012).
arxiv-papers
2014-02-24T13:57:52
2024-09-04T02:49:58.726603
{ "license": "Public Domain", "authors": "Adrian Popescu", "submitter": "Adrian Popescu", "url": "https://arxiv.org/abs/1402.5826" }
1402.5827
# A new approach to the vakonomic mechanics Jaume Llibre1, Rafael Ramírez2 and Natalia Sadovskaia3 1 Departament de Matemàtiques, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona, Catalonia, Spain. [email protected] 2 Departament d’Enginyeria Informàtica i Matemàtiques, Universitat Rovira i Virgili, Avinguda dels Països Catalans 26, 43007 Tarragona, Catalonia, Spain. [email protected] 3 Departament de Matemàtica Aplicada II, Universitat Politècnica de Catalunya, C. Pau Gargallo 5, 08028 Barcelona, Catalonia, Spain. [email protected] ###### Abstract. The aim of this paper is to show that the Lagrange–d’Alembert and its equivalent the Gauss and Appel principle are not the only way to deduce the equations of motion of the nonholonomic systems. Instead of them, here we consider the generalization of the Hamiltonian principle for nonholonomic systems with nonzero transpositional relations. By applying this variational principle which takes into the account transpositional relations different from the classical ones we deduce the equations of motion for the nonholonomic systems with constraints that in general are nonlinear in the velocity. These equations of motion coincide, except perhaps in a zero Lebesgue measure set, with the classical differential equations deduced with d’Alembert–Lagrange principle. We provide a new point of view on the transpositional relations for the constrained mechanical systems: the virtual variations can produce zero or non–zero transpositional relations. In particular the independent virtual variations can produce non–zero transpositional relations. For the unconstrained mechanical systems the virtual variations always produce zero transpositional relations. We conjecture that the existence of the nonlinear constraints in the velocity must be sought outside of the Newtonian model. All our results are illustrated with precise examples. ###### Key words and phrases: variational principle, generalized Hamiltonian principle, d’Alembert–Lagrange principle, constrained Lagrangian system, transpositional relations, vakonomic mechanic, equation of motion, Vorones system, Chapligyn system, Newton model. ###### 2010 Mathematics Subject Classification: Primary 14P25, 34C05, 34A34. ## 1\. Introduction The history of nonholonomic mechanical systems is long and complex and goes back to the 19 century, with important contribution by Hertz [16] (1894) , Ferrers [10] (1871), Vierkandt [51] (1892) and Chaplygin [6] (1897). The nonholonomic mechanic is a remarkable generalization of the classical Lagrangian and Hamiltonian mechanic. The birth of the theory of dynamics of nonholonomic systems occurred when Lagrangian-Euler formalism was found to be inapplicable for studying the simple mechanical problem of a rigid body rolling without slipping on a plane. A long period of time has been needed for finding the correct equations of motion of the nonholonomic mechanical systems and the study of the deeper questions associated with the geometry and the analysis of these equations. In particular the integration theory of equations of motion for nonholonomic mechanical systems is not so complete as in the case of holonomic systems. This is due to several reasons. First, the equations of motion of nonholonomic systems have more complex structure than the Lagrange one, which describes the behavior of holonomic systems. Indeed, a holonomic systems can be described by a unique function of its state and time, the Lagrangian function. For the nonholonomic systems this is not possible. Second, the equations of motion of nonholonomic systems in general have no invariant measure, as they have the equations of motion of holonomic systems (see [21, 28, 30, 50]). One of the most important directions in the development of the nonholonomic mechanics is the research connected with the general mathematical formalism to describe the behavior of such systems which differs from the Lagrangian and Hamiltonian formalism. The main problem with the equations of motion of the nonholonomic mechanics has been centered on whether or not these equations can be derived from the Hamiltonian principle in the usual sense, such as for the holonomic systems (see for instance [33]). But there is not doubt that the correct equations of motion for nonholonomic systems are given by the d’Alembert–Lagrange principle. The general understanding of inapplicability of Lagrange equations and variational Hamiltonian principles to the nonholonomic systems is due to Hertz, who expressed it in his fundamental work Die Prinzipien der Mechanik in neuem Zusammenhaange dargestellt [16]. Hertz’s ideas were developed by Poincaré in [39]. At the same time various aspects of nonholonomic systems need to be studied such as (a) The problem of the realization of nonholonomic constraints (see for instance [22, 23]). (b) The stability of nonholonomic systems (see for instance [35, 43]). (c) The role of the so called transpositional relations (see [19, 34, 35, 42]) (1) $\delta\dfrac{d\textbf{x}}{dt}-\dfrac{d}{dt}\delta{\textbf{x}}=\left(\delta\dfrac{dx_{1}}{dt}-\dfrac{d}{dt}\delta{x_{1}},\ldots,\delta\dfrac{dx_{N}}{dt}-\dfrac{d}{dt}\delta{x_{N}}\right),$ where $\dfrac{d}{dt}$ denotes the differentiation with respect to the time, $\delta$ is the virtual variation, and $\textbf{x}=\left(x_{1},\ldots,x_{N}\right)$ is the vector of the generalized coordinates. Indeed the most general formulation of the Hamiltonian principle is the Hamilton–Suslov principle (2) $\displaystyle\int_{t_{0}}^{t_{1}}\left(\delta\,{\tilde{L}}-\displaystyle\sum_{j=1}^{N}\dfrac{\partial{{\tilde{L}}}}{\partial\dot{x}_{j}}\left(\delta\dfrac{dx_{j}}{dt}-\dfrac{d}{dt}\delta{x_{j}}\right)\right)dt=0,$ suitable for constrained and unscontrained Lagrangian systems, where $\tilde{L}$ is the Lagrangian of the mechanical system.. Clearly the equations of motion obtained from the Hamilton–Suslov principle depend on the point of view on the transpositional relations. This fact shows the importance of these relations. (d) The relation between nonholonomic mechanical systems and vakonomic mechanical systems. There was some confusion in the literature between nonholonomic mechanical systems and variational nonholonomic mechanical systems also called vakonomic mechanical systems. Both kinds of systems have the same mathematical “ingredients”: a Lagrangian function and a set of constraints. But the way in which the equations of motion are derived differs. As we observe the equations of motion in nonholonomic mechanic are deduced using d’Alembert–Lagrange’s principle. In the case of vakonomic mechanics the equations of motion are obtained through the application of a constrained variational principle. The term vakonomic (“variational axiomatic kind”) is due to Kozlov (see [24, 25, 26]), who proposed this mechanics as an alternative set of equations of motion for a constrained Lagrangian systems. The distinction between the classical differential equations of motion and the equations of motion of variational nonholonomic mechanical systems has a long history going back to the survey article of Korteweg (1899) [20] and discussed in a more modern context in [9, 18, 29, 49]. In these papers the authors have discussed the domain of the vakonomic and nonholonomic mechanics. In the paper Critics of some mathematical model to describe the behavior of mechanical systems with differential constraints [18], Kharlamov studied the Kozlov model and in a concrete example showed that the subset of solutions of the studied nonholonomic systems is not included in the set of vakonomic model and proved that the principle of determinacy is not valid in the Kozlov model. In [27] the authors put in evidence the main differences between the d’Alembertian and the vakonomic approaches. From the results obtained in several papers it follows that in general the vakonomic model is not applicable to the nonholonomic constrained Lagrangian systems. The equations of motion for the constrained mechanical systems deduced by Kozlov (see for instance [2]) from the Hamiltonian principle with the Lagrangian $L:\mathbb{R}\times{T}\textsc{Q}\times\mathbb{R}^{M}\longrightarrow\mathbb{R}$ such that $L=L_{0}-\displaystyle\sum_{j=1}^{M}\lambda_{j}L_{j},$ where $L_{j}=0$ for $j=1,\ldots,M<N$ are the given constraints, and $L_{0}$ is the classical Lagrangian. These equations are (3) $E_{k}L={\dfrac{d}{dt}\dfrac{\partial L}{\partial\dot{x}_{k}}-\dfrac{\partial L}{\partial{x}_{k}}}=0\Longleftrightarrow E_{k}L_{0}=\displaystyle\sum_{j=1}^{M}\left(\lambda_{j}E_{k}\,L_{j}+\dfrac{d\lambda_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial\dot{x}_{k}}\right),$ for $k=1,\ldots,N,$ see for more details [2]. Clearly, equations (3) differ from the classical equations by the presence of the terms $\lambda_{j}E_{k}\,L_{j}.$ If the constraints are integrable, i.e. $L_{j}=\dfrac{d}{dt}g_{j}(t,\textbf{x}),$ then the vakonomic mechanics reduces to the holonomic one. In this paper we give a modification of the vakonomic mechanics. This modification is valid for the holonomic and nonholonomic constrained Lagrangian systems. We apply the generalized constrained Hamiltonian principle with non–zero transpositional relations. By applying this constrained variational principle we deduce the equations of motion for the nonholonomic systems with constraints which in general are nonlinear in the velocity. These equations coincide, except perhaps in a zero Lebesgue measure set, with the classical differential equations deduced from d’Alembert–Lagrange principle. ## 2\. Statement of the main results In this paper we solve the following inverse problem of the constrained Lagrangian systems (see [31]) We consider the constrained Lagrangian systems with configuration space Q and phase space $T\textsc{Q}.$ Let $L:\mathbb{R}\times{T\textsc{Q}}\times{\mathbb{R}^{M}}\longrightarrow\mathbb{R}$ be a smooth function such that (4) ${L}\left(t,\textbf{x},\dot{\textbf{x}},\Lambda\right)=L_{0}\left(t,\textbf{x},\dot{\textbf{x}}\right)-\displaystyle\sum_{j=1}^{M}\lambda_{j}\,L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right)-\displaystyle\sum_{j=M+1}^{N}\lambda^{0}_{j}L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right),$ where $\Lambda=\left(\lambda_{1},\ldots,\lambda_{M}\right)$ are the additional coordinates (Lagrange multipliers), $L_{j}:\mathbb{R}\times{T\textsc{Q}}\longrightarrow\mathbb{R},\quad\left(t,\textbf{x},\dot{\textbf{x}}\right)\longmapsto\,L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right),$ be smooth functions for $j=0,\ldots,N,$ where $L_{0}$ is the nonsingular function i.e. $\det\left(\dfrac{\partial^{2}L_{0}}{\partial{\dot{x}_{k}}\partial{\dot{x}_{j}}}\right)\neq{0},$ and $L_{j}=0,$ for $j=1,\ldots,M,$ are the constraints satisfying (5) $\mbox{rank}\left(\dfrac{\partial(L_{1},\ldots,L_{M})}{\partial(\dot{x}_{1},\ldots,\dot{x}_{N})}\right)=M$ in all the points of $\mathbb{R}\times T\textsc{Q},$ except perhaps in a zero Lebesgue measure set, $L_{j}$ and $\lambda^{0}_{j}$ are arbitrary functions and constants respectively, for $j=M+1,\ldots,N$. We must determine the smooth functions $L_{j},$ constants $\lambda^{0}_{j}$ for $j=M+1,\ldots,N$ and the matrix $A$ in such a way that the differential equations describing the behavior of the constrained Lagrangian systems and obtained from the the Hamiltonian principle (6) $\displaystyle\displaystyle\int_{t_{0}}^{t_{1}}\delta\,{L}=\displaystyle\int_{t_{0}}^{t_{1}}\left(\dfrac{\partial L}{\partial x_{j}}\delta x_{j}+\dfrac{\partial L}{\partial\dot{x}_{j}}\dfrac{d}{dt}{\delta x}_{j}+\displaystyle\sum_{j=1}^{N}\dfrac{\partial{{L}}}{\partial\dot{x}_{j}}\left(\delta\dfrac{dx_{j}}{dt}-\dfrac{d}{dt}\delta{x_{j}}\right)\right)dt=0,$ with transpositional relation given by (7) $\delta\dfrac{d\textbf{x}}{dt}-\dfrac{d}{dt}\delta{\textbf{x}}=A\left(t,\textbf{x},\dot{\textbf{x}},\ddot{\textbf{x}}\right)\delta{\textbf{x}},$ where $A=A\left(t,\textbf{x},\dot{\textbf{x}},\ddot{\textbf{x}}\right)=\left(A_{\nu\,j}\left(t,\textbf{x},\dot{\textbf{x}},\ddot{\textbf{x}}\right)\right)$ is a $N\times N$ matrix, We give the solutions of this problem in two steps. First we obtain the differential equations along the solutions satisfying (6). Second we shall contrast the obtained equations and classical differential equations which described the behavior of the constrained mechanical systems. The solution of this inverse problem is presented in section 4. Note that the function $L$ is singular, due to the absence of $\dot{\lambda}.$ We observe that the arbitrariness of the functions $L_{j},$ of the constants $\lambda^{0}_{j}$ for $j=M+1,\ldots,N,$ and of the matrix $A$ will play a fundamental role in the construction of the mathematical model which we propose in this paper. Our main results are the following ###### Theorem 1. We assume that $\delta{x_{\nu}(t)},\quad\nu=1,\ldots,N,$ are arbitrary functions defined in the interval $[t_{0},\,t_{1}]$, smooth in the interior of $[t_{0},\,t_{1}]$ and vanishing at its endpoints, i.e., $\delta{x_{\nu}}({t_{0}})=\delta{x_{\nu}}({t_{1}})=0.$ If (7) holds then the path $\gamma(t)=(x_{1}(t),\ldots,x_{N}(t))$ compatible with the constraints $L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right)=0$, for $j=1,\ldots,M$ satisfies (6) with $L$ given by the formula (4) if and only if it is a solution of the differential equations (8) $D_{\nu}L:={E_{\nu}\,L-\displaystyle\sum_{j=1}^{N}{A_{{\nu}j}\dfrac{\partial{L}}{\partial{\dot{x}_{j}}}}}=0,\quad\dfrac{\partial L}{\partial\lambda_{k}}=-L_{k}=0,$ for $\nu=1,\ldots,N,$ and $k=1,\ldots,M,$ where $E_{\nu}={\dfrac{d}{dt}\dfrac{\partial}{\partial\dot{x}_{\nu}}-\dfrac{\partial}{\partial{x}_{\nu}}}.$ System (8) is equivalent to the following two differential systems (9) $\begin{array}[]{rl}D_{\nu}L_{0}=&\displaystyle\sum_{j=1}^{M}\left(\lambda_{j}D_{\nu}L_{j}+\dfrac{d\lambda_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}}\right)+\displaystyle\sum_{j=M+1}^{N}\lambda^{0}_{j}D_{\nu}\,L_{j},\quad L_{k}=0\Longleftrightarrow\vspace{0.2cm}\\\ E_{\nu}L_{0}=&\displaystyle\sum_{k=1}^{N}A_{jk}\dfrac{\partial L_{0}}{\partial\dot{x}_{k}}+\sum_{j=1}^{M}\left(\lambda_{j}D_{\nu}L_{j}+\dfrac{d\lambda_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}}\right)+\displaystyle\sum_{j=M+1}^{N}\lambda^{0}_{j}D_{\nu}\,L_{j},\quad L_{k}=0.\end{array}$ for $\nu=1,\ldots,N$ and $k=1,\ldots,M.$ ###### Theorem 2. Using the notation of Theorem 1 let (10) $L=L\left(t,\textbf{x},\dot{\textbf{x}},\Lambda\right)=L_{0}\left(t,\textbf{x},\dot{\textbf{x}}\right)-\displaystyle\sum_{j=1}^{M}\lambda_{j}\,L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right)-\displaystyle\sum_{j=M+1}^{N}\lambda^{0}_{j}L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right)$ be the Lagrangian and let $L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right)=0$ be the independent constraints for $j=1,\ldots,M<N,$ and let $\lambda^{0}_{k}$ be the arbitrary constants for $k=M+1,\ldots,N,$ $L_{k}:\mathbb{R}\times\,T\textsc{Q}\longrightarrow\mathbb{R}$ for $k=M+1,\ldots,N$ arbitrary functions such that $|W_{1}|=\det{W_{1}}=\det{\left(\dfrac{\partial(L_{1},\ldots,L_{N})}{\partial(\dot{x}_{1},\ldots,\dot{x}_{N})}\right)}\neq 0,$ except perhaps in a zero Lebesgue measure set $|W_{1}|=0$. We determine the matrix $A$ satisfying (11) $W_{1}A=\Omega_{1}:=\left(\begin{array}[]{ccc}E_{1}L_{1}&\ldots&E_{N}L_{1}\\\ \vdots&\ldots&\vdots\\\ \vdots&\ldots&\vdots\\\ E_{1}L_{N}&\ldots&E_{N}L_{N}\\\ \end{array}\right).$ Then the differential equations (9) become (12) $\begin{array}[]{rl}D_{\nu}L_{0}=&\displaystyle\sum_{\alpha=1}^{M}\dot{\lambda}_{\alpha}\dfrac{\partial{L_{\alpha}}}{\partial{\dot{x}_{\nu}}}\quad\mbox{for}\quad\nu=1,\ldots,N\vspace{0.30cm}\\\ \Longleftrightarrow&\dfrac{d}{dt}\dfrac{\partial L_{0}}{\partial\dot{\textbf{x}}}-\dfrac{\partial L_{0}}{\partial{\textbf{x}}}=\left(W^{-1}_{1}\Omega_{1}\right)^{T}\dfrac{\partial{L_{0}}}{\partial{\dot{\textbf{x}}}}+W^{T}_{1}\dfrac{d\lambda}{dt},\end{array}$ where $\dfrac{\partial}{\partial\dot{\textbf{x}}}=\left(\dfrac{\partial}{\partial\dot{x_{1}}},\ldots,\dfrac{\partial}{\partial\dot{x_{N}}}\right)^{T},\,\,\dfrac{\partial}{\partial{\textbf{x}}}=\left(\dfrac{\partial}{\partial{x_{1}}},\ldots,\dfrac{\partial}{\partial{x_{N}}}\right)^{T},$ $\lambda=\left(\lambda_{1},\ldots,\lambda_{M},0,\ldots,0\right)^{T},$ and the transpositional relation (7) becomes (13) $\delta\dfrac{d\textbf{x}}{dt}-\dfrac{d}{dt}\delta{\textbf{x}}=\left(W^{-1}_{1}\Omega_{1}\right)\delta{\textbf{x}}.$ ###### Theorem 3. Using the notation of Theorem 1 let (14) $L\left(t,\textbf{x},\dot{\textbf{x}},\Lambda\right)=L_{0}\left(t,\textbf{x},\dot{\textbf{x}}\right)-\displaystyle\sum_{j=1}^{M}\lambda_{j}\,L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right)-\displaystyle\sum_{j=M+1}^{N-1}\lambda^{0}_{j}L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right)$ be the Lagrangian and $L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right)=0$ be the independent constraints for $j=1,\ldots,M<N,$ and let $\lambda^{0}_{j}$ be arbitrary constants, for $j=M+1,\ldots,N-1$ and $\lambda^{0}_{N}=0,$ $L_{j}:\mathbb{R}\times\,T\textsc{Q}\longrightarrow\mathbb{R}$ for $j=M+1,\ldots,N-1$ arbitrary functions, and $L_{N}=L_{0}$ such that $|W_{2}|=\det{W_{2}}=\det{\left(\dfrac{\partial(L_{1},\ldots,L_{N-1},L_{0})}{\partial(\dot{x}_{1},\ldots,\dot{x}_{N})}\right)}\neq 0,$ except perhaps in a zero Lebesgue measure set $|W_{2}|=0$. We determine the matrix $A$ satisfying (15) $W_{2}A=\Omega_{2}:=\left(\begin{array}[]{ccc}E_{1}L_{1}&\ldots&E_{N}L_{1}\\\ \vdots&\ldots&\vdots\\\ E_{1}L_{N-1}&\ldots&E_{N}L_{N-1}\\\ 0&\ldots&0\\\ \end{array}\right).$ Then the differential equations (9) become (16) $\dfrac{d}{dt}\dfrac{\partial L_{0}}{\partial\dot{\textbf{x}}}-\dfrac{\partial L_{0}}{\partial{\textbf{x}}}=W^{T}_{2}\dfrac{d}{dt}\tilde{\lambda},$ where $\lambda:=\tilde{\lambda}=\left(\tilde{\lambda}_{1},\ldots,\tilde{\lambda}_{M},\,0,\ldots,0\right)^{T},$ and the transpositional relation (7) becomes (17) $\delta\dfrac{d\textbf{x}}{dt}-\dfrac{d}{dt}\delta{\textbf{x}}=\left(W^{-1}_{2}\Omega_{2}\right)\delta{\textbf{x}},$ The proofs of Theorems 1, 2 and 3 are given in section 5. ###### Theorem 4. Under the assumptions of Theorem 2 and assuming that $\begin{array}[]{rl}x_{\alpha}=&x_{\alpha},\quad x_{\beta}=y_{\beta}\quad\textbf{x}=\left(x_{1},\ldots,x_{s_{1}}\right)\quad\textbf{y}=\left(y_{1},\ldots,y_{s_{2}}\right),\vspace{0.2cm}\\\ L_{\alpha}=&\dot{x}_{\alpha}-\Phi_{\alpha}\left(\textbf{x},\textbf{y},\dot{\textbf{x}},\,\dot{\textbf{y}}\right)=0,\quad L_{\beta}=\dot{y}_{\beta},\end{array}$ for $\alpha=1,\ldots,s_{1}=M$ and $\beta=s_{1}+1,\ldots,s_{1}+s_{2}=N.$ Then $|W_{1}|=1$ and the differential equations (12) take the form (18) $\begin{array}[]{rl}E_{j}L_{0}=&\displaystyle\sum_{\alpha=1}^{s_{1}}\left(E_{j}L_{\alpha}\dfrac{\partial L_{0}}{\partial\dot{x}_{\alpha}}\right)+\dot{\lambda}_{j}\quad j=1,\ldots,s_{1},\\\ E_{k}L_{0}=&\displaystyle\sum_{\alpha=1}^{s_{1}}\left(E_{k}L_{\alpha}\,\dfrac{\partial L_{0}}{\partial\dot{x}_{\alpha}}+\dot{\lambda}_{\alpha}\dfrac{\partial L_{\alpha}}{\partial\dot{y}_{k}}\right)\quad k=1,\ldots,s_{2}.\end{array}$ or, equivalently (excluding the Lagrange multipliers) (19) $E_{k}L_{0}=\displaystyle\sum_{\alpha=1}^{s_{1}}\left(E_{k}L_{\alpha}\,\dfrac{\partial L_{0}}{\partial\dot{x}_{\alpha}}+\left(E_{\alpha}L_{0}-\displaystyle\sum_{\beta=1}^{s_{1}}\left(E_{\alpha}L_{\beta}\dfrac{\partial L_{0}}{\partial\dot{x}_{\beta}}\right)\right)\dfrac{\partial\,L_{\alpha}}{\partial\dot{y}_{k}}\right),\quad k=1,\ldots,s_{2}.$ In particular if we choose $L_{0}=\tilde{L}\left(\textbf{x},\textbf{y},\dot{\textbf{x}},\dot{\textbf{y}}\right)-\tilde{L}\left(\textbf{x},\textbf{y},\Phi,\dot{\textbf{y}}\right)=\tilde{L}-L^{*},$ where $\Phi=\left(\Phi_{1},\ldots,\Phi_{s_{1}}\right),$ then (19) holds if $E_{k}\tilde{L}=\displaystyle\sum_{\alpha=1}^{s_{1}}E_{\alpha}\tilde{L}\dfrac{\partial\,L_{\alpha}}{\partial\dot{y}_{k}},\quad k=1,\ldots,s_{2},$ and (20) $E_{k}(L^{*})=\displaystyle\sum_{\alpha=1}^{s_{1}}\left(\dfrac{d}{dt}\left(\dfrac{\partial\Phi_{\alpha}}{\partial\dot{y}_{k}}\right)-\left(\dfrac{\partial{\Phi_{\alpha}}}{\partial\,{y}_{k}}+\displaystyle\sum_{\nu=1}^{s_{1}}\dfrac{\partial\,\Phi_{\alpha}}{\partial\,x_{\nu}}\dfrac{\partial\,\Phi_{\nu}}{\partial\dot{y}_{k}}\right)\right)\Psi_{\alpha}+\displaystyle\sum_{\nu=1}^{s_{1}}\dfrac{\partial L^{*}}{\partial\,x_{\nu}}\dfrac{\partial\Phi\nu}{\partial\dot{y}_{k}},$ where $\Psi_{\alpha}=\left.\dfrac{\partial\,\tilde{L}}{\partial\dot{x}_{\alpha}}\right|_{\dot{x}_{1}=\Phi_{1},\ldots,\dot{x}_{s_{1}}=\Phi_{s_{1}}}.$ The transpositional relations (13) in this case are (21) $\begin{array}[]{rl}\delta\dfrac{dx_{\alpha}}{dt}-\dfrac{d}{dt}\delta\,x_{\alpha}=&\displaystyle\sum_{k=1}^{s_{2}}\left(\displaystyle\sum_{j=1}^{s_{1}}E_{j}(L_{\alpha})\frac{\partial{L_{j}}}{\partial{\dot{y_{k}}}}+E_{k}(L_{\alpha})\right)\delta y_{k},\quad\alpha=1,\ldots,s_{1},\vspace{0.2cm}\\\ \delta\dfrac{dy_{m}}{dt}-\dfrac{d}{dt}\delta\,y_{m}=&0,\quad m=1,\ldots,s_{2}.\end{array}$ ###### Proposition 5. Differential equations (20) describe the motion of the nonholonomic systems with the constraints $L_{\alpha}=\dot{x}_{\alpha}-\Phi_{\alpha}(\textbf{x},\textbf{y},\dot{\textbf{y}})=0$ for $\alpha=1,\ldots,s_{1}.$ In particular if the constraints are given by the formula (22) $\dot{x}_{j}=\sum_{k=1}^{s_{2}}a_{jk}(t,\textbf{x},\textbf{y})\dot{y}_{k}+a_{j}(t,\textbf{x}),\quad j=1,\ldots,s_{1},$ then systems (20) becomes $\begin{array}[]{rl}E_{k}(L^{*})=&\displaystyle\sum_{\alpha=1}^{s_{1}}\left(\dfrac{da_{\alpha\,k}}{dt}-\left(\dfrac{\partial{a_{\alpha\,m}}}{\partial\,{y}_{k}}+\displaystyle\sum_{\nu=1}^{s_{1}}\dfrac{\partial\,a_{\alpha\,m}}{\partial\,x_{\nu}}a_{\nu\,k}\right)\dot{y}_{m}\,\right)\Psi_{\alpha}+\displaystyle\sum_{\nu=1}^{s_{1}}\dfrac{\partial L^{*}}{\partial\,x_{\nu}}a_{\nu\,k},\end{array}$ which are the classical Voronets differential equations. Consequently equations (20) are an extension of the Voronets differential equations for the case when the constraints are nonlinear in the velocities. ###### Proposition 6. Differential equations (20) describe the motion of the constrained Lagrangian systems with the constraints $L_{\alpha}=\dot{x}_{\alpha}-\Phi_{\alpha}(\textbf{y},\dot{\textbf{y}})=0$ and Lagrangian $L^{*}=L^{*}(\textbf{y},\dot{\textbf{y}}).$ Under these assumptions equations (20) take the form (23) $E_{k}(L^{*})=\displaystyle\sum_{\alpha=1}^{s_{1}}\left(\dfrac{d}{dt}\left(\dfrac{\partial\Phi_{\alpha}}{\partial\dot{y}_{k}}\right)-\dfrac{\partial\Phi_{\alpha}}{\partial\,y_{k}}\right)\Psi_{\alpha}.$ In particular if the constraints are given by the formula (24) $\dot{x}_{\alpha}=\sum_{k=1}^{s_{2}}a_{\alpha\,k}(\textbf{y})\dot{y}_{k},\quad\alpha=1,\ldots,s_{1},$ then systems (23) becomes (25) $E_{k}L^{*}=\sum_{j=1}^{s_{1}}\sum_{r=1}^{s_{2}}\left(\dfrac{\partial\alpha_{jk}}{\partial{y_{r}}}-\dfrac{\partial\alpha_{jr}}{\partial{y_{k}}}\right)\dot{y}_{r}\Psi_{j},$ for $k=1,\ldots,s_{2},$ which are the equations which Chaplygin published in the Proceeding of the Society of the Friends of Natural Science in 1897 . Consequently equations (23) are an extension of the classical Chaplygin equations for the case when the constraints are nonlinear. From (5) and in view of the Implicit Function Theorem, we can locally express the constraints (reordering coordinates if is necessary) as (26) $\dot{x}_{\alpha}=\Phi_{\alpha}\left(\textbf{x},\dot{x}_{M+1},\ldots,\dot{x}_{N}\right)$ for $\alpha=1,\ldots,M.$ We note that Propositions 5 and 6 are also valid for every constrained mechanical systems with constraints locally given by (26), this follows from Theorem 4 changing the notations, see Corollary 22. The proofs of Theorem 4 and Propositions 5 and 6 is given in section 8. The next result is the third point of view on the transpositional relations. ###### Corollary 7. For the constrained mechanical systems the virtual variations can produce zero or non–zero transpositional relations. For the unconstrained mechanical systems the virtual variations always produce zero transpositional relations. The proof of this corollary is given in section 9. We have the following conjecture. ###### Conjecture 8. The existence of mechanical systems with nonlinear constraints in the velocity must be sought outside of the Newtonian model. This conjecture is supported by several facts see section 9. The results are illustrated with precise examples. ## 3\. Variational Principles. Transpositional relations ### 3.1. Hamiltonian principle We introduce the following results, notations and definitions which we will use later on (see [2]). A Lagrangian system is a pair $(\textsc{Q},\tilde{L})$ consisting of a smooth manifold $\textsc{Q},$ and a smooth function $\tilde{L}:\mathbb{R}\times T\textsc{Q}\longrightarrow\mathbb{R},$ where $T\textsc{Q}$ is the tangent bundle of $\textsc{Q}.$ The point ${\bf x}=\left(x_{1},\ldots,x_{N}\right)\in\textsc{Q}$ denotes the position (usually its components are called generalized coordinates) of the system and we call each tangent vector $\dot{{\bf x}}=\left(\dot{x}_{1},\ldots,\dot{x}_{N}\right)\in T_{\textbf{x}}\textsc{Q}$ the velocity (usually called generalized velocity) of the system at the point ${\bf x}.$ A pair $({\bf x},\dot{{\bf x}})$ is called a state of the system. In Lagrangian mechanics it is usual to call $\textsc{Q},$ the configuration space, the tangent bundle $T\textsc{Q}$ is called the phase space, $\tilde{L}$ is the Lagrange function or Lagrangian and the dimension $N$ of Q is the number of degrees of freedom. Let $a_{0}$ and $a_{1}$ be two points of $\textsc{Q}.$ The map $\begin{array}[]{rl}\gamma:[t_{0},t_{1}]\subset\mathbb{R}&\longrightarrow\textsc{Q},\vspace{0.2cm}\\\ t&\longmapsto\gamma(t)=\left(x_{1}(t),\ldots,x_{N}(t)\right),\end{array}$ such that $\gamma(t_{0})=a_{0},\,\gamma(t_{1})=a_{1}$ is called a path from $a_{0}$ to $a_{1}.$ We denote the set of all these path by $\Omega(\textsc{Q},a_{0},a_{1},t_{0},t_{1}):=\Omega$. We shall derive one of the most simplest and general variational principles the Hamiltonian principle (see [40]). The functional $F:\Omega\longrightarrow\mathbb{R}$ defined by $F(\gamma(t))=\displaystyle\int_{\gamma(t)}\tilde{L}dt=\displaystyle\int_{t_{0}}^{t_{1}}\tilde{L}(t,\textbf{x}(t),\dot{\textbf{x}}(t))dt$ is called the action. We consider the path $\gamma(t)=\textbf{x}(t)=\left(x_{1}(t),\ldots,x_{N}(t)\right)\in\Omega.$ Let the variation of the path $\gamma(t)$ be defined as a smooth mapping $\begin{array}[]{rl}\gamma^{*}:[t_{0},t_{1}]\times(-\tau,\tau)&\longrightarrow\textsc{Q},\vspace{0.2cm}\\\ (t,\varepsilon)&\longmapsto\gamma^{*}(t,\varepsilon)=\textbf{x}^{*}(t,\varepsilon)=\left(x_{1}(t)+\varepsilon\delta{x}_{1}(t),\ldots,x_{N}(t)+\varepsilon\delta{x}_{N}(t)\right),\end{array}$ satisfying $\textbf{x}^{*}(t_{0},\varepsilon)=a_{0},\quad\textbf{x}^{*}(t_{1},\varepsilon)=a_{1},\quad\textbf{x}^{*}(t,0)=\textbf{x}(t).$ By definition we have $\delta{\textbf{x}}(t)=\left.\dfrac{\partial\textbf{x}^{*}(t,\varepsilon)}{\partial\varepsilon}\right|_{\varepsilon=0}.$ This function is called the virtual displacement or virtual variation corresponding to the variation of $\gamma(t)$ and it is a function of time, all its components are functions of $t$ of class $C^{2}(t_{0},t_{1})$ and vanish at $t_{0}$ and $t_{1}$ i.e. $\delta\textbf{x}(t_{0})=\delta\textbf{x}(t_{1})=0.$ A varied path is a path which can be obtained as a variation path. The first variation of the functional $F$ at $\gamma(t)$ is $\delta{F}:=\left.\dfrac{\partial F\left(\textbf{x}^{*}(t,\varepsilon)\right)}{\partial\varepsilon}\right|_{\varepsilon=0},$ and it is called the differential of the functional $F$ (see [2]). The path $\gamma(t)\in\Omega$ is called the critical point of $F$ if $\delta F(\gamma(t))=0.$ Let $\mathbb{L}$ be the space of all smooth functions $g:\mathbb{R}\times T\textsc{Q}\longrightarrow\mathbb{R}.$ The operator $\begin{array}[]{rl}E_{\nu}:\mathbb{L}&\longrightarrow\mathbb{R},\\\ g&\longmapsto E_{\nu}g={\dfrac{d}{dt}\dfrac{\partial g}{\partial\dot{x}_{\nu}}-\dfrac{\partial g}{\partial{x}_{\nu}}},\quad\mbox{for}\quad\nu=1,\ldots,N,\end{array}$ is known as the Lagrangian derivative. It is easy to show the following property of the Lagrangian derivative (27) $E_{\nu}\dfrac{df}{dt}=0,$ for arbitrary smooth function $f=f(t,\textbf{x}).$ We observe that in view of (27) we obtain that the Lagrangian derivative is unchanged if we replace the function $g$ by $g+\dfrac{df}{dt},$ for any function $f=f(t,\textbf{x}).$ This reflects the gauge invariance. We shall say that the functions $g=g\left(t,\textbf{x},\dot{\textbf{x}}\right)$ and $\hat{g}=\hat{g}\left(t,\textbf{x},\dot{\textbf{x}}\right)$ are equivalently if $g-\hat{g}=\dfrac{df(t,\textbf{x})}{dt},$ and we shall write $g\simeq\hat{g}.$ ###### Proposition 9. The differential of the action can be calculated as follows (28) $\delta{F}=-\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{k=1}^{N}\left(E_{k}\tilde{L}\delta{x}_{k}-\dfrac{\partial\tilde{L}}{\partial\dot{{x_{k}}}}\left(\delta\dfrac{d{x_{k}}}{dt}-\dfrac{d}{dt}\delta{x_{k}}\right)\right)dt,$ where ${\bf{x}}={\bf{x}}(t),\,\dot{\bf{x}}=\dfrac{d{\bf{x}}}{dt},$ and $\tilde{L}=\tilde{L}\left(t,{\bf{x}},\dfrac{d{{\bf{x}}}}{dt}\right).$ ###### Proof. We have that $\begin{array}[]{rl}\delta{F}=&\left.\dfrac{\partial F\left(\textbf{x}^{*}(t,\varepsilon)\right)}{\partial\varepsilon}\right|_{\varepsilon=0}\vspace{0.2cm}\\\ =&\displaystyle\int_{t_{0}}^{t_{1}}\left.\dfrac{\partial}{\partial\varepsilon}\right|_{\varepsilon=0}L\left(t,\textbf{x}^{*}(t,\varepsilon),\dfrac{d}{dt}\left(\textbf{x}^{*}(t,\varepsilon)\right)\right)\,dt=\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{k=1}^{N}\left(\dfrac{\partial L}{\partial{x_{k}}}\delta{x_{k}}+\dfrac{\partial L}{\partial\dot{{x_{k}}}}\delta{\dot{x_{k}}}\right)dt\vspace{0.2cm}\\\ =&\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{k=1}^{N}\left(\dfrac{\partial L}{\partial{{x_{k}}}}\delta{x_{k}}+\dfrac{\partial L}{\partial\dot{{x_{k}}}}\dfrac{d}{dt}\delta x_{k}+\dfrac{\partial L}{\partial\dot{{x_{k}}}}\left(\delta\dfrac{d{x_{k}}}{dt}-\dfrac{d}{dt}\delta{x_{k}}\right)\right)dt\vspace{0.3cm}\\\ =&\left.\displaystyle\sum_{k=1}^{N}\dfrac{\partial L}{\partial\dot{{x_{k}}}}\delta{x_{k}}\right|_{t=t_{0}}^{t=t_{1}}+\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{k=1}^{N}\left(\left(\dfrac{\partial L}{\partial{{x_{k}}}}-\dfrac{d}{dt}\dfrac{\partial L}{\partial\dot{{x_{k}}}}\right)\delta{{x_{k}}}+\dfrac{\partial L}{\partial\dot{{x_{k}}}}\left(\delta\dfrac{d{x_{k}}}{dt}-\dfrac{d}{dt}\delta{x_{k}}\right)\right)dt.\end{array}$ Hence, by considering that the virtual variation vanishes at the points $t=t_{0}$ and $t=t_{1}$ we obtain the proof of the proposition. ∎ ###### Corollary 10. The differential of the action for a Lagrangian system $\left(\textsc{Q},\,\tilde{L}\right)$ can be calculated as follows $\delta{F}=-\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{k=1}^{N}E_{k}\tilde{L}\left(t,{\bf{x}},\dfrac{d{\bf{x}}}{dt}\right)\,\delta{x}_{k}\,dt.$ ###### Proof. Indeed, for the Lagrangian system the transpositional relation is equal to zero (see for instance [32] page 29), i.e. (29) $\delta\dfrac{d\textbf{x}}{dt}-\dfrac{d}{dt}\delta\textbf{x}=0.$ Thus, from Proposition 9, it follows the proof of the corollary. ∎ The path $\gamma(t)\in\Omega$ is called a motion of the Lagrangian systems $\left(\textsc{Q},\,\tilde{L}\right)$ if $\gamma(t)$ is a critical point of the action $F,$ i.e. $\delta{F}\left(\gamma(t)\right)=0\Longleftrightarrow\displaystyle\int_{t_{0}}^{t_{1}}\delta{\tilde{L}}\,dt=0.$ This definition is known as the Hamiltonian variational principle or Hamiltonian variational principle of least action or simple Hamiltonian principle. Now we need the Lagrange lemma or fundamental lemma of calculus of variations (see for instance [1]) ###### Lemma 11. Let $f$ be a continuous function of the interval $[t_{0},\,t_{1}]$ satisfying the equation $\displaystyle\int_{t_{0}}^{t_{1}}f(t)\zeta{(t)}dt=0,$ for arbitrary continuous function $\zeta(t)$ such that $\zeta(t_{0})=\zeta(t_{1})=0.$ Then $f(t)\equiv 0.$ ###### Corollary 12. The Hamiltonian principle for Lagrangian systems is equivalent to the Lagrangian equations (30) $E_{\nu}\tilde{L}=\displaystyle\dfrac{d}{dt}\left(\dfrac{\partial\tilde{L}}{\partial\dot{{x}_{\nu}}}\right)-\dfrac{\partial\tilde{L}}{\partial{{x}_{\nu}}}=0,$ for $\nu=1,\ldots,N.$ ###### Proof. Clearly, if (30) holds, by Corollary 10, $\delta{F}=0.$ The reciprocal result follows from Lemma 11. ∎ From the formal point of view, the Hamiltonian principle in the form (LABEL:LLag) is equivalent to the problem of variational calculus [13, 40]. However, despite the superficial similarity, they differ essentially. Namely, in mechanics the symbol $\delta$ stands for the its virtual variation, i.e., it is not an arbitrary variation but a displacement compatible with the constraints imposed on the systems. Thus only in the case of the holonomic systems, for which the number of degrees of freedom is equal to the number of generalized coordinates, the virtual variations are arbitrary and the Hamiltonian principle (LABEL:LLag) is completely equivalent to the corresponding problem of the variational calculus. An important difference arises for the systems with nonholonomic constraints, when the variations of the generalized coordinates are connected by the additional relations usually called Chetaev conditions which we give later on. ### 3.2. D’Alembert–Lagrange principle Let $L_{j}:\mathbb{R}\times{T\textsc{Q}}\longrightarrow\mathbb{R}$ be smooth functions for $j=1,\ldots,M.$ The equations $L_{j}=L_{j}\left(t,\bf{x},\dot{\bf{x}}\right)=0,\quad\mbox{for}\quad j=1,\ldots,M<N,$ with $\mbox{rank}\left(\dfrac{\partial(L_{1},\ldots,L_{M})}{\partial(\dot{x}_{1},\ldots,\dot{x}_{N})}\right)=M$ in all the points of $\mathbb{R}\times T\textsc{Q},$ except perhaps in a zero Lebesgue measure set, define $M$ independent constraints for the Lagrangian systems $(\textsc{Q},\tilde{L}).$ Let $\mathcal{M}^{*}$ be the submanifold of $\mathbb{R}\times T\textsc{Q}$ defined by the equations (LABEL:01111), i.e. $\mathcal{M}^{*}=\\{\left({t,\bf x},\,\dot{{\bf x}}\right)\in\mathbb{R}\times T\textsc{Q}:L_{j}({t,\bf x},\dot{\bf{x}})=0,\quad\mbox{for}\quad j=1,\ldots,M\\}.$ A constrained Lagrangian system is a triplet $(\textsc{Q},\tilde{L},\mathcal{M}^{*}).$ The number of degree of freedom is $\kappa=dim{\textsc{Q}}-M=N-M.$ The constraint is called integrable if it can be written in the form $L_{j}=\dfrac{d}{dt}\left(G_{j}(t,\textbf{x})\right)=0,$ for a convenient function $G_{j}.$ Otherwise the constraint is called nonintegrable. According to Hertz [16] the nonintegrable constraints are also called nonholonomic. The Lagrangian systems with nonintegrable constraints are usually called (also following to Hertz) the nonholonomic mechanical systems, or nonholonomic constrained mechanical systems, and with integrable constraints are called the holonomic constrained mechanical systems or holonomic constrained Lagrangian systems. The systems free of constraints are called Lagrangian systems or holonomic systems. Sometimes it is also useful to distinguish between constraints that are dependent on or independent of time. Those that are independent of time are called scleronomic, and those that depend on time are called rheonomic. This therminology can also be applied to the mechanical systems themselves. Thus we say that the constrained Lagrangian systems is scleronomic (reonomic) if the constraints and Lagrangian are time independent (dependent). The constraints (31) $L_{k}=\displaystyle\sum_{j=1}^{N}a_{kj}\dot{x}_{j}+a_{k}=0,\quad\mbox{for}\quad k=1,\ldots,M,$ where $a_{kj}=a_{kj}(t,\textbf{x}),\,\,a_{k}=a_{k}(t,\textbf{x}),$ are called linear constraints with respect to the velocity. For simplicity we shall call linear constraints. We observe that (31) admits an equivalent representation as a Pfaffian equations (for more details see [38]) $\omega_{k}:=\displaystyle\sum_{j=1}^{N}a_{kj}dx_{j}+a_{k}\,dt=0.$ We shall consider only two classes of systems of equations, the equations of constraints linear with respect to the velocity $(\dot{x}_{1},\ldots,\dot{x}_{N})$, or linear with respect to the differential $(dx_{1},\ldots,dx_{N},dt).$ In order to study the integrability or nonintegrability problem of the constraints the last representation, a Pfaffian system is the more useful. This is related with the fact that for the given 1-forms we have the Frobenius theorem which provides the necessary and sufficient conditions under which the 1-forms are closed and consequently the given set of constraints is integrable. The constrains $L_{j}({t,\bf x},\dot{\bf{x}})=0$ are called perfect constraints or ideal if they satisfy the Chetaev conditions (see [7]) (32) $\displaystyle\sum_{k=1}^{N}\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{k}}\,\delta x_{k}=0,$ for $\alpha=1,\ldots,M.$ In what follows, we shall consider only perfect constraints. If the constraints admit the representation (26) then the Chetaev conditions takes the form $\delta x_{\alpha}=\displaystyle\sum_{k=M+1}^{N}\dfrac{\partial\Phi_{\alpha}}{\partial\dot{x}_{k}}\delta x_{k}.$ The virtual variations of the variables $x_{\alpha}$ for $\alpha=1,\ldots,M$ are called dependent variations and for the variable $x_{\beta}$ for $\beta=M+1,\ldots,N$ are called independent variations. We say that the path $\gamma(t)=\textbf{x}(t)$ is admissible with the perfect constraint if $L_{j}({t,\bf x}(t),\dot{\bf{x}}(t))\,\,=0.$ The admissible path is called the motion of the constrained Lagrangian systems $(\textsc{Q},\tilde{L},\mathcal{M}^{*})$ if for all $t\in[t_{0},t_{1}]$ $\displaystyle\sum_{\nu=1}^{N}E_{\nu}\tilde{L}\left({t,\bf x}(t),\dot{\bf{x}}(t)\right)\,\delta{x}_{\nu}(t)=0,$ for all virtual displacement $\delta{\textbf{x}}(t)$ of the path $\gamma(t).$ This definition is known as d’Alembert–Lagrange principle. It is well known the following result (see for instance [2, 5, 14, 35]). ###### Proposition 13. The d’Alembert–Lagrange principle for constrained Lagrangian systems is equivalent to the Lagrangian differential equations with multipliers (33) $\begin{array}[]{rl}E_{j}\tilde{L}=&{\dfrac{d}{dt}\dfrac{\partial\tilde{L}}{\partial{\dot{x}_{j}}}-\dfrac{\partial\tilde{L}}{\partial{{x}_{j}}}}=\displaystyle\sum_{\alpha=1}^{M}{\mu_{\alpha}\dfrac{\partial L_{\alpha}}{\partial{\dot{x_{j}}}}},\quad\mbox{for}\quad j=1,\ldots,N,\vspace{0.2cm}\\\ L_{j}({t,\bf x},\dot{\bf{x}})=&0,\quad\mbox{for}\quad j=1,\ldots,M,\end{array}$ where $\mu_{\alpha}$ for $\alpha=1,\ldots,M$ are the Lagrangian multipliers. ### 3.3. The varied path The varied path produced in Hamiltonian’s principle is not in general an admissible path if the perfect constraints are nonholonomic, i.e. the mechanical systems cannot travel along the varied path without violating the constraints. We prove the following result, which shall play an important role in the all assertions below. ###### Proposition 14. If the varied path is an admissible path then, the following relations hold (34) $\displaystyle\sum_{k=1}^{N}\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{k}}\left(\delta\dfrac{dx_{k}}{dt}-\dfrac{d}{dt}\delta x_{k}\right)=\displaystyle\sum_{k=1}^{N}E_{k}L_{\alpha}\,\delta{x_{k}},$ for $\alpha=1,\ldots,M.$ ###### Proof. Indeed, the original path $\gamma(t)=\textbf{x}(t)$ by definition satisfies the Chetaev conditions, and constraints, i.e. $L_{j}\left(t,\textbf{x}(t),\dot{\textbf{x}}(t)\right)=0.$ If we suppose that the variation path $\gamma^{*}(t)=\textbf{x}(t)+\varepsilon\delta{\textbf{x}}(t),$ also satisfies the constraints i.e. $L_{j}\left(t,\textbf{x}+\varepsilon\delta\textbf{x},\dot{\textbf{x}}+\varepsilon\delta\dot{\textbf{x}}\right)=L_{j}\left(t,\textbf{x}(t),\dot{\textbf{x}}(t)\right)+\varepsilon\delta\,L_{\alpha}\left(t,\textbf{x}(t),\dot{\textbf{x}}(t)\right)+\ldots=0.$ Thus restricting only to the terms of first order with respect to $\varepsilon$ and by the Chetaev conditions we have (for simplicity we omitted the argument) (35) $\begin{array}[]{rl}0=&\delta\,L_{\alpha}=\displaystyle\sum_{k=1}^{N}\left(\dfrac{\partial L_{\alpha}}{\partial\,{x}_{k}}\delta{{x}_{k}}+\dfrac{\partial L_{\alpha}}{\partial\dot{{x}_{k}}}\delta{\dot{{x}_{k}}}\right),\vspace{0.2cm}\\\ 0=&\displaystyle\sum_{k=1}^{N}\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{k}}\,\delta x_{k},\end{array}$ for $\alpha=1,\ldots,M.$ The Chetaev conditions are satisfied at each instant, so $\dfrac{d}{dt}\left(\displaystyle\sum_{k=1}^{N}\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{k}}\,\delta x_{k}\right)=\displaystyle\sum_{k=1}^{N}\dfrac{d}{dt}\left(\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{k}}\right)\,\delta x_{k}+\displaystyle\sum_{k=1}^{N}\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{k}}\dfrac{d}{dt}\delta x_{k}=0.$ Subtracting these relations from (35) we obtain (34). Consequently if the varied path is an admissible path, then relations (34) must hold. ∎ From (34) and (7) it follows that the elements of the matrix $A$ satisfy (36) $\displaystyle\sum_{m=1}^{N}\delta{x_{m}}\left(E_{m}L_{\alpha}-\displaystyle\sum_{k=1}^{N}A_{k\,m}\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{k}}\right)=\displaystyle\sum_{m=1}^{N}\delta{x_{m}}D_{m}L_{\alpha}=0,\quad\mbox{for}\quad\alpha=1,\ldots,M.$ This property will be used below. ###### Corollary 15. For the holonomic constrained Lagrangian systems the relations (34) hold if and only if (37) $\displaystyle\sum_{k=1}^{N}\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{k}}\left(\delta\dfrac{dx_{k}}{dt}-\dfrac{d}{dt}\delta x_{k}\right)=0,\quad\mbox{for}\quad\alpha=1,\ldots,M.$ ###### Proof. Indeed, for holonomic constrained Lagrangian systems the constraints are integrable, consequently in view of (27) we have $E_{k}L_{\alpha}=0$ for $k=1,\ldots,N$ and $\alpha=1,\ldots,M.$ Thus, from (34), we obtain (37). ∎ Clearly the equalities (37) are satisfied if (29) holds. We observe that in general for holonomic constrained Lagrangian systems relation (29) cannot hold (see example 2). ### 3.4. Transpositional relations As we observe in the previous subsection for nonholonomic constrained Lagrangian systems the curves, obtained doing a virtual variation in the motion of the systems, in general are not kinematical possible trajectories when (29) is not fulfilled. This leads to the conclusion that the Hamiltonian principle cannot be applied to nonholonomic systems, as it is usually employed for holonomic systems. The essence of the problem of the applicability of this principle for nonholonomic systems remains unclarified (see [35]). In order to clarify this situation, it is sufficient to note that the question of the applicability of the principle of stationary action to nonholonomic systems is intimately related to the question of transpositional relation. The key point is that the Hamiltonian principle assumes that the operation of differentiation with respect to the time $\dfrac{d}{dt}$ and the virtual variation $\delta$ commute in all the generalized coordinate systems. For the holonomic constrained Lagrangian systems relations (29) cannot hold (see Corollary 15). For a nonholonomic systems the form of the Hamiltonian principle will depend on the point of view adopted with respect to the transpositional relations. What are then the correct transpositional relations? Until now, does not exist a common point of view concerning to the commutativity of the operation of differentiation with respect to the time and the virtual variation when there are nonintegrable constraints. Two points of view have been maintained. According to one (supported, for example, by Volterra, Hamel, Hölder, Lurie, Pars,…), the operations $\dfrac{d}{dt}$ and $\delta$ commute for all the generalized coordinates, independently if the systems are holonomic or nonholonomic, i.e. $\delta\dfrac{dx_{k}}{dt}-\dfrac{d}{dt}\delta x_{k}=0,\quad\mbox{for}\quad k=1,\ldots,N.$ According to the other point of view (supported by Suslov, Voronets, Levi- Civita, Amaldi,…) the operations $\dfrac{d}{dt}$ and $\delta$ commute always for holonomic systems, and for nonholonomic systems with the constraints $\dot{x}_{\alpha}=\displaystyle\sum_{j=M+1}^{N}a_{\alpha j}(t,\textbf{x})\dot{x}_{j}+a_{\alpha}(t,\textbf{x}),\quad\mbox{for}\quad\alpha=1,\ldots,M.$ the transpositional relations are equal to zero only for the generalized coordinates $x_{M+1},\ldots,x_{N},$ ( for which their virtual variations are independent). For the remaining coordinates $x_{1},\ldots,x_{M},$ (for which their virtual variations are dependent), the transpositional relations must be derived on the basis of the equations of the nonholonomic constraints, and cannot be identically zero, i.e. $\begin{array}[]{rl}\delta\dfrac{dx_{k}}{dt}-\dfrac{d}{dt}\delta x_{k}=&0,\quad\mbox{for}\quad k=M+1,\ldots,N\\\ \delta\dfrac{dx_{k}}{dt}-\dfrac{d}{dt}\delta x_{k}\neq&0,\quad\mbox{for}\quad k=1,\ldots,M.\end{array}$ The second point of view acquired general acceptance and the first point of view was considered erroneous (for more details see [35]). The meaning of the transpositional relations (1) can be found in [19, 32, 34, 35]. In the results given in the following section play a key role the equalities (34). From these equalities and from the examples it will be possible to observe that the second point of view is correct only for the so called Voronets–Chaplygin systems, and in general for locally nonholonomic systems. There exist many examples for which the independent virtual variations generated non–zero transpositional relations. Thus we propose a third point of view on the transpositional relations: the virtual variations can generate the transpositional relations given by the formula (7) where the elements of the matrix $A$ satisfies the conditions (see formula (36)) (38) $D_{\nu}L_{\alpha}=E_{\nu}L_{\alpha}-\displaystyle\sum_{k=1}^{N}A_{k\,\nu}\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{k}}=0,\quad\mbox{for}\quad\nu=1,\ldots,M,\quad\alpha=1,\ldots,M.$ we observe that here the $L_{\alpha}=0$ are constraints which in general are nonlinear in the velocity. ### 3.5. Hamiltonian–Suslov principle After the introduction of the nonholonomic mechanics by Hertz, it appeared the question of extending to the nonholonomic mechanics the results of the holonomic mechanics. Hertz [16] was the first in studying the problem of applying the Hamiltonian principle to systems with nonintegrable constraints. In [16] Hertz wrote: “Application of Hamilton’s principle to any material systems does not exclude that between selected coordinates of the systems rigid constraints exist, but it still requires that these relations could be expressed by integrable constraints. The appearance of nonintegrable constraints is unacceptable. In this case the Hamilton’s principle is not valid.” Appell [3] in correspondence with Hertz’s ideas affirmed that it is not possible to apply the Hamiltonian principle for systems with nonintegrable constraints Suslov [48] claimed that ”Hamilton’s principle is not applied to systems with nonintegrable constraints, as derived based on this equation are different from the corresponding equations of Newtonian mechanics”. The applications of the most general differential principle, i.e. the d’Alembert–Lagrange and their equivalent Gauss and Appel principle, is complicated due to the presence of the terms containing the second order derivative. On the other hand the most general variational integral principle of Hamilton is not valid for nonholonomic constrained Lagrangian systems. The generalization of the Hamiltonian principle for nonholonomic mechanical systems was deduced by Voronets and Suslov (see for instance [48, 53]). As we can observe later on from this principle follows the importance of the transpositional relations to determine the correct equations of motion for nonholonomic constrained Lagrangian systems. ###### Proposition 16. The d’Alembert–Lagrangian principle for the contrained Lagrangian systems $\displaystyle\sum_{k=1}^{N}\delta{x}_{k}E_{k}\tilde{L}=0$ is equivalent to the Hamilton–Suslov principle (2) where we assume that $\delta{x_{\nu}(t)},\quad\nu=1,\ldots,N,$ are arbitrary smooth functions defined in the interior of the interval $[t_{0},\,t_{1}]$ and vanishing at its endpoints, i.e., $\delta{x_{\nu}}({t_{0}})=\delta{x_{\nu}}({t_{1}})=0.$ ###### Proof. From the d’Alembert–Lagrangian principle we obtain the identity $\begin{array}[]{rl}0=&-\displaystyle\sum_{k=1}^{N}\delta{x}_{k}E_{k}\tilde{L}=\displaystyle\sum_{k=1}^{N}\delta{x}_{k}\dfrac{\partial\tilde{L}}{\partial x_{k}}-\displaystyle\sum_{k=1}^{N}\delta{x}_{k}\dfrac{d}{dt}\dfrac{\partial\tilde{L}}{\partial\dot{x}_{k}}\vspace{0.2cm}\\\ =&\displaystyle\sum_{k=1}^{N}\left(\delta{x}_{k}\dfrac{\partial\tilde{L}}{\partial x_{k}}+\delta{\dot{x}}_{k}\dfrac{\partial\tilde{L}}{\partial\dot{x}_{k}}\right)-\displaystyle\sum_{k=1}^{N}\left(\left(\delta\dfrac{dx_{k}}{dt}-\dfrac{d}{dt}\delta{x_{k}}\right)\dfrac{\partial\tilde{L}}{\partial\dot{x}_{k}}-\dfrac{d}{dt}\left(\dfrac{\partial\tilde{L}}{\partial\dot{x}_{k}}\delta{x_{k}}\right)\right)\vspace{0.2cm}\\\ =&\delta\tilde{L}-\displaystyle\sum_{k=1}^{N}\left(\left(\delta\dfrac{dx_{k}}{dt}-\dfrac{d}{dt}\delta{x_{k}}\right)\dfrac{\partial\tilde{L}}{\partial\dot{x}_{k}}-\dfrac{d}{dt}\left(\dfrac{\partial\tilde{L}}{\partial\dot{x}_{k}}\delta{x_{k}}\right)\right),\end{array}$ where $\delta\tilde{L}$ is a variation of the Lagrangian $\tilde{L}$. After the integration and assuming that $\delta x_{k}(t_{0})=0,\,\delta x_{k}(t_{1})=0$ we easily obtain (2), which represent the most general formulation of the Hamiltonian principle (Hamilton–Suslov principle) suitable for constrained and unconstrained Lagrangian systems. ∎ Suslov determine the transpositional relations only for the case when the constraints are of Voronets type, i.e. given by the formula (22). Assume that $\delta\dfrac{dy_{k}}{dt}-\dfrac{d}{dt}\delta{y_{k}}=0,\quad\mbox{for}\quad k=M+1,\ldots,N,$ Voronets and Suslov deduced that $\delta\dfrac{dx_{k}}{dt}-\dfrac{d}{dt}\delta{x_{k}}=\displaystyle\sum_{k=1}^{N}B_{kr}\delta{y_{r}}-\delta{a_{k}}$ for convenient functions $B_{kr}=B_{kr}\left(t,\textbf{x},\textbf{y},\dot{\textbf{x}},\dot{\textbf{y}}\right),$ for $r=M+1,\ldots,N$ and $k=1,\ldots,M.$ Thus we obtain $\displaystyle\int_{t_{0}}^{t_{1}}\left(\delta\,\tilde{L}-\displaystyle\sum_{k=1}^{N}\dfrac{\partial{\tilde{L}}}{\partial\dot{x}_{j}}\left(\displaystyle\sum_{k=1}^{N}B_{kr}\delta{y_{r}}-\delta{a_{k}}\right)\right)dt=0,$ This is the Hamiltonian principle for nonholonomic systems in the Suslov form (see for instance [48]). We observe that the same result was deduced by Voronets in [53]. It is important to observe that Suslov and Voronets require a priori that the independent virtual variations produce the zero transpositional relations. At the sometimes these authors consider only linear constraints with respect to the velocity of the type (22). ### 3.6. Modification of the vakonomic mechanics (MVM) As we observe in the introduction, the main objective of this paper is to construct the variational equations of motion describing the behavior of the constrained Lagrangian systems in which the equalities (34) take place in the most general possible way. We shall show that the d’Alembert–Lagrange principle is not the only way to deduce the equations of motion for the constrained Lagrangian systems. Instead of it we can apply the generalization of the Hamiltonian principle, whereby the motions of such systems are extremals of the variational Lagrange problem (see for instance [13]), i.e. the problem of determining the critical points of the action in the class of curves with fixed endpoints and satisfying the constraints. The solution of this problem as we shall see will give the differential equations of second order which coincide with the well–known classical equations of the mechanics except perhaps in a zero Lebesgue measure set. From the previous section we deduce that in order to generalize the Hamiltonian principle to nonholonomic systems we must take into account the following relations $\begin{array}[]{rl}&\mbox{(A)}\qquad\delta L_{\alpha}=\displaystyle\sum_{j=1}^{N}\left(\dfrac{\partial L_{\alpha}}{\partial x_{j}}\delta x_{j}+\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{j}}\delta\dot{x}_{j}\right)=0\quad\mbox{for}\quad\alpha=1,\ldots,M,\vspace{0.2cm}\\\ &\mbox{(B)}\qquad\displaystyle\sum_{j=1}^{N}\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{j}}\delta{x_{j}}=0\quad\mbox{for}\quad\alpha=1,\ldots,M,\vspace{0.2cm}\\\ &\mbox{(C)}\qquad\delta\dfrac{dx_{j}}{dt}-\dfrac{d}{dt}\delta{x_{j}}=0\quad\mbox{for}\quad j=1,\ldots,N,\end{array}$ where $L_{\alpha}=0$ for $\alpha=1,\ldots,M$ are the constraints. A lot of authors consider that (C) is always fulfilled (see for instance [32, 38]), together with the conditions (A) and (B). However these conditions are incompatible in the case of the nonintegrable constrains. We observe that these authors deduced that the Hamiltonian principle is not applicable to the nonholonomic systems. To obtain a generalization of the Hamiltonian principle for the nonholonomic mechanical systems, some of these three conditions must be excluded. In particular for the Hölder principle conditions (A) is excluded and keep (B) and (C) (see [17]). For the Hamiltonian–Suslov principle condition (A) and (B) hold, and (C) only holds for the independent variations. In this paper we extend the Hamiltonian principle by supposing that conditions (A) and (B) hold and (C) does not hold . Instead of (C) we consider that (7) holds where elements of matrix $A$ satisfy the relations (38). ## 4\. Solution of the inverse problem of the constrained Lagrangian systems We shall determine the equations of motion of the constrained Lagrangian systems using the Hamiltonian principle with non zero transpositional relations, whereby the motions of the systems are extremals of the variational Lagrange’s problem (see for instance [13]), i.e. are the critical points of the action functional $\displaystyle\int_{t_{0}}^{t_{1}}L_{0}\left(t,\textbf{x},\dot{\textbf{x}}\right)\,dt,$ in the class of path with fixed endpoints satisfying the independent constraints $L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right)=0,\quad\mbox{for}\quad j=1,\ldots,M.$ In the classical solution of the Lagrange problem usually we apply the Lagrange multipliers method which consists in the following. We introduce the additional coordinates $\Lambda=\left(\lambda_{1},\ldots,\lambda_{M}\right),$ and Lagrangian $\widehat{L}:\mathbb{R}\times{T\textsc{Q}}\times\mathbb{R}^{M}\longrightarrow\mathbb{R}$ given by $\widehat{L}\left(t,\textbf{x},\dot{\textbf{x}},\Lambda\right)=L_{0}\left(t,\textbf{x},\dot{\textbf{x}}\right)-\displaystyle\sum_{j=1}^{M}\lambda_{j}\,L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right),$ Under this choice we reduce the Lagrange problem to a variational problem without constraints, i.e. we must determine the extremal of the action functional $\displaystyle\int_{t_{0}}^{t_{1}}\widehat{L}\,dt.$ We shall study a slight modification of the Lagrangian multipliers method. We introduce the additional coordinates $\Lambda=\left(\lambda_{1},\ldots,\lambda_{M}\right),$ and the Lagrangian on $\mathbb{R}\times{T\textsc{Q}}\times\mathbb{R}^{M}$ given by the formula (4), where we assume that $\lambda^{0}_{j}$ are arbitrary constants, and $L_{j}$ are arbitrary functions for $j=M+1,\ldots,N.$ Now we determine the critical points of the action functional $\displaystyle\int_{t_{0}}^{t_{1}}L\left(t,\textbf{x},\dot{\textbf{x}},\Lambda\right)dt,$ i.e. we determine the path $\gamma(t)$ such that $\displaystyle\int_{t_{0}}^{t_{1}}\delta\left(L\left(t,\textbf{x},\dot{\textbf{x}},\Lambda\right)\right)dt=0$ under the additional condition that the transpositional relations are given by the formula (7). The solution of the inverse problem stated in section 2 is the following. Differential equations obtained from (6) are given by the formula (8) (see Theorem 1). We choose the arbitrary functions $L_{j}$ in such a away that the matrix $W_{1}$ and $W_{2}$ given in Theorems 2 and 3 are nonsingular, except perhaps in a zero Lebesgue measure set. The constants $\lambda^{0}_{j}$ for $j=M+1,\ldots,N$ are arbitrary in Theorem 2, and $\lambda^{0}_{j}$ for $j=1,\ldots,N-1$ are arbitrary and $\lambda^{0}_{N}=0$ in Theorem 3. The matrix $A$ is determined from the equalities (11) and (15) of Theorems 2 and 3 respectively. ###### Remark 17. It is interesting to observe that from the solutions of the inverse problem, the constants $\lambda^{0}_{j}$ for $j=M+1,\ldots,N$ are arbitrary except in Theorem 3 in which $\lambda^{0}_{N}=0.$ Clearly, if $L_{j}\left(t,\textbf{x},\dot{\textbf{x}}\right)=\dfrac{d}{dt}f_{j}(t,\textbf{x})$ for $j=M+1,\ldots,N,$ then the $L\simeq\widehat{L}.$ Using the arbitrariness of the constants $\lambda^{0}_{j}$ we can always take that $\lambda^{0}_{k}=0$ if $L_{k}\left(t,\textbf{x},\dot{\textbf{x}}\right)\neq\dfrac{d}{dt}f_{k}(t,\textbf{x}).$ Consequently we can always suppose that $L\simeq\widehat{L}.$ Thus the only difference between the classical and the modified Lagrangian multipliers method consists only on the transpositional relations: for the classical method the virtual variations produce zero transpositional relations (i.e. the matrix $A$ is the zero matrix) and for the modified method in general it is determined by the formulae (7) and (36). A very important subscase is obtained when the constraints are given in the form (Voronets-Chapliguin constraints type) $\dot{x}_{\alpha}-\Phi_{\alpha}\left(t,\textbf{x},\dot{x}_{M+1},\ldots,\dot{x}_{N}\right)=0,$ for $\alpha=1,\ldots,M.$ As we shall show under these assumptions the arbitrary functions are determined as follows: $L_{j}=\dot{x}_{j}$ for $j=M+1,\ldots,N.$ Consequently the action of the modified Lagrangian multipliers method and the action of the classical Lagrangian multipliers method are equivalently. In view of (26) this equivalence always locally holds for any constrained Lagrangian systems. ## 5\. Proof of Theorems 1, 2 and 3 ###### Proof of Theorem 1. In view of the equalities $\begin{array}[]{rl}\displaystyle\int_{t_{0}}^{t_{1}}\delta{L}\,dt=&\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{k=1}^{M}\left(\dfrac{\partial L}{\partial\lambda_{k}}\delta\lambda_{k}\right)dt+\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{j=1}^{N}\left(\dfrac{\partial L}{\partial x_{j}}\delta x_{j}+\dfrac{\partial L}{\partial\dot{x}_{j}}\delta\dfrac{d{x}_{j}}{dt}\right)dt\vspace{0.20cm}\\\ =&\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{k=1}^{M}\left(-L_{k}\delta\lambda_{k}\right)dt+\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{j=1}^{N}\left(\dfrac{\partial L}{\partial x_{j}}\delta x_{j}+\dfrac{\partial L}{\partial\dot{x}_{j}}\dfrac{d}{dt}\delta{x_{j}}+\dfrac{\partial L}{\partial\dot{x}_{j}}\left(\delta\dfrac{dx_{j}}{dt}-\dfrac{d}{dt}\delta{x_{j}}\right)\right)dt\vspace{0.20cm}\\\ =&\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{k=1}^{M}\left(-L_{k}\delta\lambda_{k}\right)dt+\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{j=1}^{N}\dfrac{d}{dt}\left(\dfrac{\partial T}{\partial\dot{x}_{j}}\delta x_{j}\right)dt\vspace{0.20cm}\\\ &-\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{j=1}^{N}\left(\left(-\dfrac{\partial L}{\partial x_{j}}+\dfrac{d}{dt}\left(\dfrac{\partial L}{\partial\dot{x}_{j}}\right)\right)\delta{x_{j}}+\dfrac{\partial L}{\partial\dot{x}_{j}}\left(\delta\dfrac{dx_{j}}{dt}-\dfrac{d}{dt}\delta{x_{j}}\right)\right)dt.\end{array}$ Consequently $\begin{array}[]{rl}\left.\displaystyle\int_{t_{0}}^{t_{1}}\delta{L}\,dt\right|_{L_{\nu}=0}=&\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{j=1}^{N}\left(\dfrac{d}{dt}\left(\dfrac{\partial T}{\partial\dot{x}_{j}}\delta x_{j}\right)-\left(E_{j}L-\displaystyle\sum_{k=1}^{N}A_{jk}\dfrac{\partial L}{\partial\dot{x}_{k}}\right)\delta x_{j}\right)dt\vspace{0.20cm}\\\ =&\displaystyle\sum_{j=1}^{N}\left.\dfrac{\partial T}{\partial\dot{x}_{j}}\delta x_{j}\right|_{t=t_{0}}^{t=t_{1}}-\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{j=1}^{N}\left(E_{j}L-\displaystyle\sum_{k=1}^{N}A_{jk}\dfrac{\partial L}{\partial\dot{x}_{k}}\right)\delta x_{j}dt\vspace{0.20cm}\\\ =&-\displaystyle\int_{t_{0}}^{t_{1}}\displaystyle\sum_{j=1}^{N}\left(E_{j}L-\displaystyle\sum_{k=1}^{N}A_{jk}\dfrac{\partial L}{\partial\dot{x}_{k}}\right)\delta x_{j}dt=0,\end{array}$ where $\nu=1,\ldots,M.$ Here we use the equalities $\delta{\textbf{x}}(t_{0})=\delta{\textbf{x}}(t_{1})=0.$ Hence if (8) holds then (6) is satisfied. The reciprocal result is proved by choosing $\delta x_{k}(t)=\begin{cases}\zeta(t)&\text{if}\,\,k=1,\\\ 0&\text{otherwise},\end{cases}$ where $\zeta(t)$ is a positive function in the interval $(t^{*}_{0},t^{*}_{1}),$ and it is equal to zero in the intervals $[t_{0},\,t^{*}_{0}]$ and $[t^{*}_{1},\,t_{1}],$ and applying Corollary 11. From the definition (8) we have that $D_{\nu}(fg)=D_{\nu}f\,g+f\,D_{\nu}\,g+\dfrac{\partial f}{\partial\dot{x}_{\nu}}\dfrac{dg}{dt}+\dfrac{df}{dt}\dfrac{\partial g}{\partial\dot{x}_{\nu}},\quad D_{\nu}a=0,$ where $a$ is a constant. Now we shall write (8) in a more convenient way $\begin{array}[]{rl}0=D_{\nu}{L}=&D_{\nu}\left(L_{0}-\displaystyle\sum_{j=1}^{M}\lambda_{j}L_{j}-\displaystyle\sum_{j=M+1}^{N}\lambda^{0}_{j}L_{j}\right)\vspace{0.20cm}\\\ =&D_{\nu}\,L_{0}-\displaystyle\sum_{j=1}^{M}D_{\nu}\left(\lambda_{j}L_{j}\right)-\displaystyle\sum_{j=M+1}^{N}\lambda^{0}_{j}D_{\nu}\,L_{j}\vspace{0.20cm}\\\ =&D_{\nu}\,L_{0}-\displaystyle\sum_{j=M+1}^{N}\lambda^{0}_{j}D_{\nu}\,L_{j}-\vspace{0.20cm}\\\ &-\displaystyle\sum_{j=1}^{M}\left(D_{\nu}\,\lambda_{j}\,\,L_{j}+\lambda_{j}D_{\nu}\,L_{j}+\dfrac{d\lambda_{j}}{dt}\dfrac{\partial L_{j}}{\partial\dot{x}_{\nu}}+\dfrac{dL_{j}}{dt}\dfrac{\partial\lambda_{j}}{\partial\dot{x}_{\nu}}\right).\end{array}$ From these relations and since the constraints $L_{j}=0$ for $j=1,\ldots,M,$ we easily obtain equations (9) or equivalently (39) $E_{\nu}L_{0}=\displaystyle\sum_{k=1}^{N}A_{jk}\dfrac{\partial L_{0}}{\partial\dot{x}_{k}}+\sum_{j=1}^{M}\left(\lambda_{j}D_{\nu}L_{j}+\dfrac{d\lambda_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}}\right)+\displaystyle\sum_{j=M+1}^{N}\lambda^{0}_{j}D_{\nu}\,L_{j}.$ Thus the theorem is proved. ∎ Now we show that the differential equations (39) for convenient functions $L_{j}$ constants $\lambda^{0}_{j}$ for $j=M+1,\ldots,N$ and for convenient matrix $A$ describe the motion of the constrained Lagrangian systems. ###### Proof of Theorem 2. The matrix equation (11) can be rewritten in components as follows (40) $\displaystyle\sum_{j=1}^{N}A_{kj}\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{j}}=E_{k}L_{\alpha}\Longleftrightarrow D_{k}L_{\alpha}=0,$ for $\alpha,\,k=1,\ldots,N.$ Consequently the differential equations (39) become (41) $E_{\nu}L_{0}=\displaystyle\sum_{k=1}^{N}\left(A_{\nu k}\dfrac{\partial L_{0}}{\partial\dot{x}_{k}}+\dfrac{d\lambda_{k}}{dt}\dfrac{\partial{L_{k}}}{\partial{\dot{x}_{\nu}}}\right)\Longleftrightarrow D_{\nu}L_{0}=\displaystyle\sum_{j=1}^{M}\dfrac{d\lambda_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}},$ which coincide with the first systems (12). In view of the condition $|W_{1}|\neq 0$ we can solve equation (11) with respect to $A$ and obtain $A=W^{-1}_{1}\Omega_{1}.$ Hence, by considering (40) we obtain the second systems from (12) and the transpositional relation (13). ∎ ###### Proof of Theorem 3. The matrix equation (15) is equivalent to the systems $\begin{array}[]{rl}\displaystyle\sum_{j=1}^{N}A_{kj}\dfrac{\partial L_{\alpha}}{\partial\dot{x}_{j}}=&E_{k}L_{\alpha}\Longleftrightarrow D_{k}L_{\alpha}=0,\vspace{0.2cm}\\\ \displaystyle\sum_{j=1}^{N}{A_{kj}\dfrac{\partial{L_{0}}}{\partial\dot{x}_{j}}}=&0,\end{array}$ for $k=1,\ldots,N,$ and $\alpha=1,\ldots,N-1.$ Thus, by considering that $\lambda^{0}_{N}=0$ we deduce that systems (39) takes the form $E_{\nu}L_{0}=\displaystyle\sum_{j=1}^{M}\dfrac{d\tilde{\lambda}_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}}.$ Hence we obtain systems (16). On the other hand from (15) we have that $A=W^{-1}_{2}\Omega_{2}.$ Hence we deduce that the transpositional relation (7) can be rewritten in the form (17). ∎ The mechanics basic on the Hamiltonian principle with non–zero transpositional relations given by formula (7), Lagrangian (4) and equations of motion (8) are called here the modification of the vakonomic mechanics and we shortly write MVM. From the proofs of Theorems 2 and 3 follows that the relations (36) holds identically in MVM. ###### Corollary 18. Differential equations (12) are invariant under the change $L_{0}\longrightarrow L_{0}-\displaystyle\sum_{j=1}^{N}a_{j}L_{j},$ where the $a_{j}$’s are constants for $j=1,\ldots,N.$ ###### Proof. Indeed, from (41) and (40) it follows that $D_{\nu}\left(L_{0}-\displaystyle\sum_{j=1}^{N}a_{j}L_{j}\right)=D_{\nu}\,L_{0}-\displaystyle\sum_{j=1}^{N}a_{j}D_{\nu}\,L_{j}=D_{\nu}\,L_{0}=\displaystyle\sum_{j=1}^{M}\dfrac{d{\lambda}_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}}.$ ∎ ###### Remark 19. The following interesting facts follow from Theorems 2 and 3. * (1) The equations of motion obtained from Theorem 2 are more general than the equations obtained from Theorem 3. Indeed in (12) there are $N-M$ arbitrary functions while in (16) are $N-M-1$ arbitrary functions. * (2) If the constraints are linear in the velocity then between the Lagrangian multipliers $\mu,\,\,\dfrac{d\lambda}{dt}$ and $\dfrac{d\tilde{\lambda}}{dt}$ there is the following relation $\mu=\dfrac{d\tilde{\lambda}}{dt}=\left(W^{-1}_{2}\right)^{T}\left(W^{T}_{1}\dfrac{d\lambda}{dt}+W^{-1}_{2}\Omega^{T}_{1}W^{-T}_{1}\dfrac{\partial L_{0}}{\partial\dot{\textbf{x}}}\right),$ where $W_{1}$ and $W_{2}$ are the matrixes defined in Theorems 2 and 3. * (3) If the constraints are linear in the velocity then one of the important question which appear in MVM is related with the arbitrariness functions $L_{j}$ for $j=M+1,\ldots,N.$ The following question arise: Is it possible to determine these functions in such a way that $|W_{1}|$ or $|W_{2}|$ is non–zero everywhere in $\mathcal{M}^{*}$? If we have a positive answer to this question, then the equations of motion of the MVM give a global behavior of the constrained Lagrangian systems, i.e. the obtained motions completely coincide with the motions obtained from the classical mathematical models. Thus if $|W_{1}|\neq 0$ and $|W_{2}|\neq 0$ everywhere in $\mathcal{M}^{*}$ then we have the equivalence (42) $D_{\nu}L_{0}={\displaystyle\sum_{j=1}^{M}\dfrac{d\lambda_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}}}\Longleftrightarrow E_{\nu}L_{0}={\displaystyle\sum_{j=1}^{M}\dfrac{d\tilde{\lambda}_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}}}\Longleftrightarrow E_{\nu}L_{0}=\displaystyle\sum_{j=1}^{M}\mu_{j}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}}$ If the constraints are nonlinear in the velocity and $|W_{2}|\neq 0$ everywhere in $\mathcal{M}^{*}$ then we have the equivalence (43) $E_{\nu}L_{0}={\displaystyle\sum_{j=1}^{M}\dfrac{d\tilde{\lambda}_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}}}\Longleftrightarrow E_{\nu}L_{0}=\displaystyle\sum_{j=1}^{M}\mu_{j}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}}$ The equivalence with respect to the equations $D_{\nu}L_{0}={\displaystyle\sum_{j=1}^{M}\dfrac{d\lambda_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}}}$ in general is not valid in this case because the term $\Omega^{T}_{1}W^{-T}_{1}\dfrac{\partial L_{0}}{\partial\dot{\textbf{x}}}$ depend on $\ddot{\textbf{x}}.$ ### 5.1. Application of Theorems 2 and 3 to the Appell–Hamel mechanical systems As a general rule the constraints studied in classical mechanics are linear with respect to the velocities, i.e. $L_{j}$ can be written as (31). However Appell and Hamel (see [3, 15]) in 1911, considered an artificial example of nonlinear nonholonomic constrains. A big number of investigations have been devoted to the derivation of the equations of motion of mechanical systems with nonlinear nonholonomic constraints see for instance [8, 15, 35, 36]. The works of these authors do not contain examples of systems with nonlinear nonholonomic constraints differing essentially from the example given by Appell and Hamel. ###### Corollary 20. The equivalence (42) also holds for the Appell – Hamel system i.e. for the constrained Lagrangian systems $\left(\mathbb{R}^{3},\quad\tilde{L}=\dfrac{1}{2}(\dot{x}^{2}+\dot{y}^{2}+\dot{z}^{2})-gz,\quad\\{\dot{z}-a\sqrt{\dot{x}^{2}+\dot{y}^{2}}=0\\}\right),$ where $a$ and $g$ are positive constants. ###### Proof. The classical equations (33) for the Appell-Hamel system are (44) $\ddot{x}=-\dfrac{a\dot{x}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}\mu,\qquad\ddot{y}=-\dfrac{a\dot{y}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}\mu,\qquad\ddot{z}=-g+\mu,$ where $\mu$ is the Lagrangian multiplier. Now we apply Theorem 3. Hence, in order to obtain that $|W_{2}|\neq 0$ everywhere we choose the functions $L_{j}$ for $j=1,2,3$ as follows $L_{1}=\dot{z}-a\sqrt{\dot{x}^{2}+\dot{y}^{2}}=0,\quad L_{2}=\arctan\dfrac{\dot{x}}{\dot{y}},\quad L_{3}=L_{0}=\tilde{L}.$ In this case the matrices $W_{2},\,\Omega_{2}$ and $A$ are $\begin{array}[]{rl}W_{2}=&\left(\begin{array}[]{ccc}-\dfrac{a\dot{x}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}&-\dfrac{a\dot{y}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}&1\\\ \dfrac{\dot{y}}{\dot{x}^{2}+\dot{y}^{2}}&-\dfrac{\dot{x}}{\dot{x}^{2}+\dot{y}^{2}}&0\\\ \dot{x}&\dot{y}&\dot{z}\end{array}\right),\quad|W_{2}|_{L_{1}=0}=1+a^{2},\vspace{0.3cm}\\\ \Omega_{2}=&\left(\begin{array}[]{ccc}-\dot{y}q&\dot{x}q&0\vspace{0.2cm}\\\ \dfrac{\ddot{y}\left(\dot{x}^{2}-\dot{y}^{2}\right)-2\dot{x}\dot{y}\ddot{x}}{\left(\dot{x}^{2}+\dot{y}^{2}\right)^{2}}&\dfrac{\ddot{x}\left(\dot{x}^{2}-\dot{y}^{2}\right)+2\dot{x}\dot{y}\ddot{y}}{\left(\dot{x}^{2}+\dot{y}^{2}\right)^{2}}&0\\\ 0&0&0\end{array}\right),\end{array}$ and the matrix $\left.A\right|_{L_{1}=0}$ is $\left(\begin{array}[]{ccc}-\dfrac{\dot{y}\left(a^{2}\dot{y}\dot{x}\ddot{x}+\left((a^{2}+1)\dot{y}^{2}+\dot{x}^{2}\right)\ddot{y}\right)}{(1+a^{2})\left(\dot{x}^{2}+\dot{y}^{2}\right)}&\dfrac{\left(a^{2}\dot{x}^{2}+(a^{2}+1)\left(\dot{y}^{2}+\dot{x}^{2}\right)^{2}\right)\dot{y}\ddot{x}-a^{2}\dot{x}^{3}\ddot{y}}{(1+a^{2})\left(\dot{x}^{2}+\dot{y}^{2}\right)^{2}}&0\\\ \\\ \dfrac{\left(a^{2}\dot{y}^{2}+(a^{2}+1)\left(\dot{y}^{2}+\dot{x}^{2}\right)\right)\dot{x}\ddot{y}-a^{2}\dot{y}^{3}\ddot{x}}{(1+a^{2})\left(\dot{x}^{2}+\dot{y}^{2}\right)}&-\dfrac{\dot{x}\left(a^{2}\dot{x}\dot{y}\ddot{y}+\left((a^{2}+1)\dot{x}^{2}+\dot{y}^{2}\right)\ddot{x}\right)}{(1+a^{2})\left(\dot{x}^{2}+\dot{y}^{2}\right)^{2}}&0\\\ \\\ \dfrac{\dot{y}a\left(\dot{y}\ddot{x}-\dot{x}\ddot{y}\right)}{(1+a^{2})\left(\dot{x}^{2}+\dot{y}^{2}\right)^{3/2}}&-\dfrac{\dot{x}a\left(\dot{y}\ddot{x}-\dot{x}\ddot{y}\right)}{(1+a^{2})\left(\dot{x}^{2}+\dot{y}^{2}\right)^{3/2}}&0\end{array}\right).$ By considering that $|W_{2}|_{L_{1}=0}=1+a^{2},$ we obtain that the equations (16) in this case describe the global behavior of the Appell–Hamel systems and take the form (45) $\ddot{x}=-\dfrac{a\dot{x}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}\dot{\tilde{\lambda}},\qquad\ddot{y}=-\dfrac{a\dot{y}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}\dot{\tilde{\lambda}},\qquad\ddot{z}=-g+\dot{\tilde{\lambda}}.$ Clearly that this system coincide with classical differential equations (44) with $\dot{\tilde{\lambda}}=\mu$. After the derivation of the constraint $\dot{z}-a\,\sqrt{\dot{x}^{2}+\dot{y}^{2}}=0$ along the solutions of (45), we obtain $0=\ddot{z}-a\dfrac{\ddot{x}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}+a\dfrac{\ddot{y}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}=-g+(1+a^{2})\dot{\tilde{\lambda}}.$ Therefore $\dot{\tilde{\lambda}}=\dfrac{g}{1+a^{2}}.$ Hence the equations of motion (45) become (46) $\ddot{x}=-\frac{ag}{1+a^{2}}\frac{\dot{x}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}},\qquad\ddot{y}=-\frac{ag}{1+a^{2}}\frac{\dot{y}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}},\qquad\ddot{z}=-\frac{a^{2}g}{1+a^{2}}.$ In this case the Lagrangian (14) writes $L=\dfrac{1}{2}(\dot{x}^{2}+\dot{y}^{2}+\dot{z}^{2})-gz-\dfrac{g\,(t+C)}{1+a^{2}}(\dot{z}-a\sqrt{\dot{x}^{2}+\dot{y}^{2}})-\lambda^{0}_{2}\arctan\dfrac{\dot{x}}{\dot{y}},$ where $C$ and $\lambda^{0}_{2}$ are an arbitrary constants. Under the condition $L_{1}=0$ we obtain that the transpositional relations are (47) $\begin{array}[]{rl}\delta\dfrac{dx}{dt}-\dfrac{d}{dt}\delta{x}=&\dfrac{\dot{y}\left((1+a^{2})\left(\dot{x}^{2}+\dot{y}^{2}\right)\left(\ddot{x}\delta{y}-\ddot{y}\delta{x}\right)+a^{2}\dot{x}\left(\dot{y}\ddot{x}-\dot{x}\ddot{y}\right)\left(\dot{x}\delta{y}-\dot{y}\delta{x}\right)\right)}{(1+a^{2})\left(\dot{x}^{2}+\dot{y}^{2}\right)^{2}},\vspace{0.20cm}\\\ \delta\dfrac{dy}{dt}-\dfrac{d}{dt}\delta{y}=&\dfrac{\dot{x}\left((1+a^{2})\left(\dot{x}^{2}+\dot{y}^{2}\right)\left(\ddot{y}\delta{x}-\ddot{x}\delta{y}\right)+a^{2}\dot{y}\left(\dot{y}\ddot{x}-\dot{x}\ddot{y}\right)\left(\dot{x}\delta{y}-\dot{y}\delta{x}\right)\right)}{(1+a^{2})\left(\dot{x}^{2}+\dot{y}^{2}\right)^{2}},\vspace{0.20cm}\\\ \delta\dfrac{dz}{dt}-\dfrac{d}{dt}\delta{z}=&\dfrac{a\left(\dot{y}\ddot{x}-\dot{x}\ddot{y}\right)\left(\dot{x}\delta{y}-\dot{x}\delta{y}\right)}{(1+a^{2})\left(\dot{x}^{2}+\dot{y}^{2}\right)^{3/2}}.\end{array}$ From this example we obtain that the independent virtual variations $\delta x$ and $\delta y$ produce non–zero transpositional relations. This result is not in accordance with with the Suslov point on view on the transpositional relations. Now we apply Theorem 2. The functions $L_{0},\,L_{1},\,L_{2}$ and $L_{3}$ are determined as follows $L_{0}=\tilde{L},\quad L_{1}=\dot{z}-a\,\sqrt{\dot{x}^{2}+\dot{y}^{2}},\quad L_{2}=\dot{y},\quad L_{3}=\dot{x}.$ Thus the matrix $W_{1}$ and $\Omega_{1}$ are $W_{1}=\left(\begin{array}[]{ccc}-\dfrac{a\dot{x}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}&-\dfrac{a\dot{y}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}&1\\\ 0&1&0\\\ 1&0&0\end{array}\right),\quad\Omega_{1}=\left(\begin{array}[]{ccc}\dot{y}q&-\dot{x}q&0\\\ 0&0&0\\\ 0&0&0\end{array}\right),$ where $q=\dfrac{a(\ddot{x}\dot{y}-\ddot{x}\dot{y})}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}^{3}}.$ Therefore $|W_{1}|=-1.$ Hence, after some computations from (11) we have that $A=\left(\begin{array}[]{ccc}0&0&0\\\ 0&0&0\\\ \dot{y}q&-\dot{x}q&0\end{array}\right).$ The equations of motion (12) becomes (48) $\begin{array}[]{rl}\ddot{x}=&-\dfrac{a^{2}\dot{y}}{{\dot{x}^{2}+\dot{y}^{2}}}(\dot{y}\ddot{x}-\dot{x}\ddot{y})-\dfrac{a\dot{{\lambda}}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}\dot{x},\vspace{0.2cm}\\\ \ddot{y}=&-\dfrac{a^{2}\dot{x}}{{\dot{x}^{2}+\dot{y}^{2}}}(\dot{x}\ddot{y}-\dot{y}\ddot{x})-\dfrac{a\dot{{\lambda}}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}\dot{y},\vspace{0.2cm}\\\ \ddot{z}=&-g+\dot{{\lambda}}.\end{array}$ By solving these equations with respect to $\ddot{x},\,\ddot{y}$ and $\ddot{z}$ we obtain the equations $\ddot{x}=-\dfrac{a\dot{x}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}\dot{{\lambda}},\qquad\ddot{y}=-\dfrac{a\dot{y}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}\dot{{\lambda}},\qquad\ddot{z}=-g+\dot{{\lambda}},$ We observe in this case that $|W_{1}|=-1,$ consequently these equations, obtained from Theorem 2, give a global behavior of the Appell–Hamel systems, i.e. coincide with the classical equations (44) with $\dot{{\lambda}}=\dot{{\tilde{\lambda}}}=\mu=\dfrac{g}{1+a^{2}}.$ The transpositional relations (13) can be written as (49) $\delta\dfrac{dx}{dt}-\dfrac{d}{dt}\delta\,x=0,\quad\delta\dfrac{dy}{dt}-\dfrac{d}{dt}\delta\,y=0,\quad\delta\dfrac{dz}{dt}-\dfrac{d}{dt}\delta\,z=q\left(\dot{y}\delta\,x-\dot{x}\delta\,y\right).$ ∎ From this corollary we observe that the independent virtual variations $\delta x$ and $\delta y$ produce non–zero transpositional relations (47) and zero transpositional relations (49). The Lagrangian (10) in this case takes the form $\begin{array}[]{rl}L=&\dfrac{1}{2}(\dot{x}^{2}+\dot{y}^{2}+\dot{z}^{2})-gz-\dfrac{g\,(t+C)}{1+a^{2}}(\dot{z}-a\sqrt{\dot{x}^{2}+\dot{y}^{2}})-\lambda^{0}_{2}\dot{y}-\lambda^{0}_{3}\dot{x}\vspace{0.2cm}\\\ \simeq&\dfrac{1}{2}(\dot{x}^{2}+\dot{y}^{2}+\dot{z}^{2})-gz-\dfrac{g\,(t+C)}{1+a^{2}}(\dot{z}-a\sqrt{\dot{x}^{2}+\dot{y}^{2}}).\end{array}$ From (34) it follows that $\delta\dfrac{dz}{dt}-\dfrac{d}{dt}\delta\,z=q\left(\dot{y}\delta\,x-\dot{x}\delta\,y\right)+\dfrac{a\dot{x}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}\left(\delta\dfrac{dx}{dt}-\dfrac{d}{dt}\delta\,x\right)+\dfrac{a\dot{y}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}\left(\delta\dfrac{dy}{dt}-\dfrac{d}{dt}\delta\,y\right).$ Therefore this relation holds identically for (47) and (49). In the next sections we show the importance of the equations of motion (12) and (16) contrasting them with the classical differential equations of nonholonomic mechanics. ## 6\. Modificated vakonomic mechanics versus vakonomic mechanics Now we show that the equations of the vakonomic mechanics (3) can be obtained from equations (9). More precisely, if in (7) we require that all the virtual variations of the coordinates produce the zero transpositional relations, i.e. the matrix $A$ is the zero matrix and we require that $\lambda^{0}_{j}=0$ for $j=M+1,\ldots,N$, then from (9) by considering that $D_{k}L=E_{k}L,$ we obtain the vakonomic equations (3), i.e. $\begin{array}[]{rl}D_{\nu}L_{0}=&\displaystyle\sum_{j=1}^{M}\left(\lambda_{j}D_{\nu}L_{j}+\dfrac{d\lambda_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial{\dot{x}_{\nu}}}\right)+\displaystyle\sum_{j=M+1}^{N}\lambda^{0}_{j}D_{\nu}\,L_{j}{\Longrightarrow\vspace{0.2cm}}\\\ E_{\nu}\,L_{0}=&\displaystyle\sum_{j=1}^{M}\left(\lambda_{j}E_{\nu}\,L_{j}+\dfrac{d\lambda_{j}}{dt}\dfrac{\partial{L_{j}}}{\partial\dot{x}_{\nu}}\right),\quad{\nu=1,\ldots,N}\end{array}$ In the following example in order to contrast Theorems 2 with the vakonomic model we study the skate or knife edge on an inclined plane. Example 1. To set up the problem, consider a plane $\Xi$ with cartesian coordinates $x$ and $y,$ slanted at an angle $\alpha$. We assume that the $y$–axis is horizontal, while the $x$–axis is directed downward from the horizontal and let $(x,y)$ be the coordinates of the point of contact of the skate with the plane. The angle $\varphi$ represents the orientation of the skate measured from the $x$–axis. The skate is moving under the influence of the gravity. Here the the acceleration due to gravity is denoted by $g$. It also has mass $m,$ and the moment inertia of the skate about a vertical axis through its contact point is denoted by $J,$ (see page 108 of [35] for a picture). The equation of nonintegrable constraint is (50) $L_{1}=\dot{x}\sin\varphi-\dot{y}\cos\varphi=0.$ With these notations the Lagrangian function of the skate is $\hat{L}=\dfrac{m}{2}\left(\dot{x}^{2}+\dot{y}^{2}\right)+\dfrac{J}{2}\dot{\varphi}^{2}+mg\,x\,\sin\alpha.$ Thus we have the constrained mechanical systems $\left(\mathbb{R}^{2}\times\mathbb{S}^{1},\quad\hat{L}=\dfrac{m}{2}\left(\dot{x}^{2}+\dot{y}^{2}\right)+\dfrac{J}{2}\dot{\varphi}^{2}+mg\,x\,\sin\alpha,\quad\\{\dot{x}\sin\varphi-\dot{y}\cos\varphi=0\\}\right).$ For appropriate choice of mass, length and time units, we reduces the Lagrangian $\hat{L}$ to $L_{0}=\dfrac{1}{2}\left(\dot{x}^{2}+\dot{y}^{2}+\dot{\varphi}^{2}\right)+x\,g\sin\alpha,$ here for simplicity we leave the same notations for the all variables. The question is, what is the motion of the point of contact? To answer this question we shall use the vakonomic equations (3) and the equations (12) proposed in Theorem 2. ### 6.1. The study of the skate applying Theorem 2 We determine the motion of the point of contact of the skate using Theorem 2. We choose the arbitrary functions $L_{2}$ and $L_{3}$ as follows $L_{2}=\dot{x}\cos\varphi+\dot{y}\sin\varphi,\quad L_{3}=\dot{\varphi},$ in order that the determinant $|W_{1}|\neq 0$ everywhere in the configuration space. The Lagrangian (10) becomes $\begin{array}[]{rl}L(x,y,\varphi,\dot{x},\dot{y},\dot{\varphi},\Lambda)=&\dfrac{1}{2}\left(\dot{x}^{2}+\dot{y}^{2}+\dot{\varphi}^{2}\right)+g\sin\alpha x-\lambda(\dot{x}\sin\varphi-\dot{y}\cos\varphi)-\lambda^{0}_{3}\dot{\varphi}\vspace{0.20cm}\\\ &\simeq\dfrac{1}{2}\left(\dot{x}^{2}+\dot{y}^{2}+\dot{\varphi}^{2}\right)+g\sin\alpha x-\lambda(\dot{x}\sin\varphi-\dot{y}\cos\varphi),\end{array}$ where $\lambda:=\lambda_{1}.$ The matrix $W_{1}$ and $\Omega_{1}$ are $\begin{array}[]{rl}W_{1}=&\left(\begin{array}[]{cccc}\sin\varphi&-\cos{\varphi}&0\\\ \cos{\varphi}&\sin\varphi&0\\\ 0&0&1\\\ \end{array}\right),\quad|W_{1}|=1,\vspace{0.2cm}\\\ \Omega_{1}=&\left(\begin{array}[]{cccc}\dot{\varphi}\cos{\varphi}&\dot{\varphi}\sin{\varphi}&-L_{2}\\\ -\dot{\varphi}\sin{\varphi}&\dot{\varphi}\cos{\varphi}&-L_{1}\\\ 0&0&0\\\ \end{array}\right).\end{array}$ The matrix $A=W^{-1}_{1}\Omega_{1}$ becomes $A=\left.\left(\begin{array}[]{cccc}0&\dot{\varphi}&-\sin\varphi L_{2}-\cos\varphi L_{1}\\\ -\dot{\varphi}&0&\cos\varphi L_{2}-\sin\varphi L_{1}\\\ 0&0&0\\\ \end{array}\right)\right|_{L_{1}=0}=\left(\begin{array}[]{cccc}0&\dot{\varphi}&-\dot{y}\\\ -\dot{\varphi}&0&\dot{x}\\\ 0&0&0\\\ \end{array}\right).$ Hence the equation (12) and transpositional relations (13) take the form (51) $\ddot{x}+\dot{\varphi}\dot{y}=g\sin\alpha+\dot{\lambda}\sin\varphi,\quad\ddot{y}-\dot{\varphi}\dot{x}=-\dot{\lambda}\cos\varphi,\quad\ddot{\varphi}=0,$ and (52) $\begin{array}[]{rl}\delta\dfrac{dx}{dt}-\dfrac{d\delta x}{dt}=&\dot{y}\delta\varphi-\dot{\varphi}\delta y,\\\ \delta\dfrac{dy}{dt}-\dfrac{d\delta y}{dt}=&\dot{\varphi}\delta x-\dot{x}\delta{\varphi},\\\ \delta\dfrac{d\varphi}{dt}-\dfrac{d\delta\varphi}{dt}=&-L_{2}\left(\delta x\sin\varphi-\delta y\cos\varphi\right)=0,\end{array}$ respectively, here we have applied the Lagrange–Chetaev’s condition $\sin\varphi\,\delta x-\cos\varphi\,\delta y=0.$ The initial conditions $x_{0}=\left.x\right|_{t=0},\quad y_{0}=\left.y\right|_{t=0},\quad\varphi_{0}=\left.\varphi\right|_{t=0},\quad\dot{x}_{0}=\left.\dot{x}\right|_{t=0},\quad\dot{y}_{0}=\left.\dot{y}\right|_{t=0},\quad\dot{\varphi}_{0}=\left.\dot{\varphi}\right|_{t=0},$ satisfy the constraint, i.e. (53) $\sin\varphi_{0}\dot{x}_{0}-\cos\varphi_{0}\dot{y}_{0}=0.$ After the derivation of the constraint along the solutions of the equation of motion (51), and using (50) we obtain $\begin{array}[]{rl}0=&\sin\varphi\ddot{x}-\cos\varphi\ddot{y}+\dot{\varphi}\left(\cos\varphi\dot{x}+\sin\varphi\dot{y}\right)\vspace{0.2cm}\\\ =&\sin\varphi\left(g\sin\alpha+\dot{\lambda}\sin\varphi-\dot{\varphi}\dot{y}\right)-\cos\varphi\left(-\dot{\lambda}\cos\varphi+\dot{\varphi}\dot{x}\right)+\dot{\varphi}\left(\cos\varphi\dot{x}+\sin\varphi\dot{y}\right).\end{array}$ Hence $\dot{\lambda}=-g\sin\alpha\sin\varphi.$ Therefore the differential equations (51) can be written as (54) $\ddot{x}+\dot{\varphi}\dot{y}=g\sin\alpha\cos^{2}\varphi,\quad\ddot{x}-\dot{\varphi}\dot{x}=g\sin\alpha\sin\varphi\cos\varphi,\quad\ddot{\varphi}=0.$ We study the motion of the skate in the following three cases: * (i) $\left.\dot{\varphi}\right|_{t=0}=\omega=0.$ * (ii) $\left.\dot{\varphi}\right|_{t=0}=\omega\neq 0.$ * (iii) $\alpha=0.$ For the first case ($\omega=0$), after the change of variables $X=\cos\varphi_{0}\,x-\sin\varphi_{0}\,y,\quad Y=\cos\varphi_{0}\,x+\sin\varphi_{0}\,y,$ the differential equations (9) and the constraint become $\ddot{X}=0,\quad\ddot{Y}=g\sin\alpha\cos\varphi_{0},\quad\varphi=\varphi_{0},\quad\dot{X}=0,$ respectively. Consequently $X=X_{0},\quad Y=g\sin\alpha\cos\varphi_{0}\dfrac{t^{2}}{2}+\dot{Y}_{0}t+Y_{0},\quad\varphi=\varphi_{0},$ thus the trajectories are straight lines. For the second case ($\omega\neq 0$), we take $\varphi_{0}=\dot{y}_{0}=\dot{x}_{0}=x_{0}=y_{0}=0$ in order to simplify the computations. In view of the equality $\dot{\varphi}=\left.\dot{\varphi}\right|_{t=0}=\omega$ and denoting by ′ the derivation with respect $\varphi$ we get that (54) become (55) $x^{\prime\prime}+y^{\prime}=\dfrac{g\sin\alpha}{\omega^{2}}\cos^{2}\varphi,\quad x^{\prime\prime}-{x}^{\prime}=\dfrac{g\sin\alpha}{\omega^{2}}\sin\varphi\cos\varphi,\quad\varphi^{\prime}=1.$ Which are easy to integrate and we obtain $x=-\dfrac{g\sin\alpha}{4\omega^{2}}\cos{(2\varphi)},\quad y=-\dfrac{g\sin\alpha}{4\omega^{2}}\sin{(2\varphi)}+\dfrac{g}{2\omega^{2}}\varphi,\quad\varphi=\omega t,$ which correspond to the equation of the cycloid. Hence the point of contact of the skate follows a cycloid along the plane, but do not slide down the plane. For the third case ($\alpha=0$), if $\varphi_{0}=0,\,\omega\neq 0$ we obtain that the solutions of the given differential systems (54) are $x=\dot{y}_{0}\cos\varphi+\dot{x}_{0}\sin\varphi+a,\quad y=\dot{y}_{0}\sin\varphi+\dot{y}_{0}\cos\varphi+b,\quad\varphi=\varphi_{0}+\omega t,$ where $a=x_{0}-\dfrac{\dot{y}_{0}}{\omega},\,b=y_{0}+\dfrac{\dot{x}_{0}}{\omega},$ which correspond to the equation of the circle with center at $(a,b)$ and radius $\dfrac{\dot{x}^{2}_{0}+\dot{y}^{2}_{0}}{\omega^{2}}.$ If $\alpha=0$ and $\varphi_{0}=0,\,\omega=0$ then we obtain that the solutions are $x=\dot{x}_{0}t+x_{0},\quad y=\dot{y}_{0}t+y_{0}.$ All these solutions coincide with the solutions obtained from the Lagrangian equations (33) with multipliers (see [2]) $\ddot{x}=g\sin\alpha+\mu\sin\varphi,\quad\ddot{y}-\dot{\varphi}\dot{x}=-\mu\cos\varphi,\quad\ddot{\varphi}=0,$ with $\mu=\dot{\lambda}=-g\sin\alpha\sin\varphi.$ ### 6.2. The study of the skate applying vakonomic model Now we consider instead of Theorem 2 the vakomic model for studying the motion of the skate. We consider the Lagrangian $L(x,y,\varphi,\dot{x},\dot{y},\dot{\varphi},\Lambda)=\dfrac{1}{2}\left(\dot{x}^{2}+\dot{y}^{2}+\dot{\varphi}^{2}\right)+g\,x\,\sin\alpha-\lambda(\dot{x}\sin\varphi-\dot{y}\cos\varphi).$ The equations of motion (3) for the skate are $\dfrac{d}{dt}\left(\dot{x}-\lambda\sin\varphi\right)=0,\quad\dfrac{d}{dt}\left(\dot{y}+\lambda\cos\varphi\right)=0,\quad\ddot{\varphi}=-\lambda\left(\dot{x}\cos\varphi+\dot{y}\sin\varphi\right).$ We shall study only the case when $\alpha=0.$ After integration we obtain the differential systems (56) $\begin{array}[]{rl}\dot{x}=&\lambda\sin\varphi+a=\cos\varphi\left(a\cos\varphi+b\sin\varphi\right),\\\ \dot{y}=&-\lambda\cos\varphi+b=\sin\varphi\left(a\cos\varphi+b\sin\varphi\right),\\\ \ddot{\varphi}=&\left(b\cos\varphi-a\sin\varphi\right)\left(a\cos\varphi+b\sin\varphi\right)=(b^{2}_{1}+a^{2}_{2})\sin(\varphi+\alpha)\cos(\varphi+\alpha),\\\ \lambda=&b\cos\varphi-a\sin\varphi,\end{array}$ where $a=\dot{x}_{0}-\lambda_{0}\sin\varphi_{0},$ $b=\dot{y}_{0}+\lambda_{0}\cos\varphi_{0}$ and $\lambda_{0}=\lambda|_{t=0}$ is an arbitrary parameter. After the integration of the third equation we obtain that (57) $\displaystyle\int_{0}^{\varphi}\dfrac{d\varphi}{\sqrt{1-\kappa^{2}\sin^{2}\varphi}}=t\sqrt{\dfrac{h+a^{2}+b^{2}}{2}},$ where $h$ is an arbitrary constant which we choose in such a way that $\kappa^{2}=\dfrac{2(a^{2}+b^{2})}{h+a^{2}+b^{2}}<1.$ From (57) we get $\sin\varphi=sn\left(t\sqrt{\dfrac{h+a^{2}+b^{2}}{2}}\right),\quad\cos\varphi=cn\left(t\sqrt{\dfrac{h+a^{2}+b^{2}}{2}}\right),$ where $sn$ and $cn$ are the Jacobi elliptic functions . Hence, if we take $\dot{x}_{0}=1,\,\dot{y}_{0}=\varphi_{0}=0,$ then the solutions of the differential equations (56) are (58) $\begin{array}[]{rl}x=&x_{0}+\displaystyle\int_{t_{0}}^{t}\left(cn\left(t\sqrt{\dfrac{h+1+\lambda^{2}_{0}}{2}}\right)sn\left(t\sqrt{\dfrac{h+1+\lambda^{2}_{0}}{2}}\right)+\lambda_{0}sn\left(t\sqrt{\dfrac{h+1+\lambda^{2}_{0}}{2}}\right)\right)dt,\vspace{0.2cm}\\\ y=&y_{0}+\displaystyle\int_{t_{0}}^{t}sn\left(t\sqrt{\dfrac{h+1+\lambda^{2}_{0}}{2}}\right)\,\lambda_{0}\,sn\left(t\sqrt{\dfrac{h+1+\lambda^{2}_{0}}{2}}\right)dt,\vspace{0.2cm}\\\ \varphi=&am\left(t\sqrt{\dfrac{h+1+\lambda^{2}_{0}}{2}}\right).\end{array}$ It is interesting to compare this amazing motions with the motions that we obtained above. For the same initial conditions the skate moves sideways along the circles. By considering that the solutions (58) depend on the arbitrary parameter $\lambda_{0}$ we obtain that for the given initial conditions do not exist a unique solution of the differential equations in the vakonomic model. Consequently the principle of determinacy is not valid for vakonomic mechanics with nonintegrable constraints (see the Corollary of page 36 in [2]). ## 7\. Modificated vakonomic mechanics versus Lagrangian and constrained Lagrangian mechanics ### 7.1. MVM versus Lagrangian mechanics The Lagrangian equations which describe the motion of the Lagrangian systems can be obtained from Theorem 2 by supposing that $M=0,$ i.e. there is no constraints We choose the arbitrary functions $L_{\alpha}$ for $\alpha=1,\ldots,N$ as follows $\quad L_{\alpha}=\dfrac{dx_{\alpha}}{dt},\quad\alpha=1,\ldots,N.$ Hence the Lagrangian (10) takes the form $L=L_{0}-\sum_{j=1}^{N}\lambda^{0}_{j}\dfrac{dx_{j}}{dt}\simeq L_{0}.$ In this case we have that $|W_{1}|=1.$ By considering the property of the Lagrangian derivative (see (27)) we obtain that $\Omega_{1}$ is a zero matrix . Hence the matrices $A_{1}$ is the zero matrix. As a consequence the equations (12) become $D_{\nu}L=E_{\nu}L=E_{\nu}\left(L_{0}-\displaystyle\sum_{j=1}^{N}\lambda^{0}_{j}\dot{x}_{j}\right)=E\nu L_{0}=0$ because $L\simeq L_{0}.$ The transpositional relation (13) in this case are $\delta\dfrac{d\textbf{x}}{dt}-\dfrac{d\delta{\textbf{x}}}{dt}=0,$ which are the well known relations in the Lagrangian mechanics (see formula (29)). ### 7.2. MVM versus constrained Lagrangian systems From the equivalences (42) we have that in the case when the constraints are linear in the velocity the equations of motions of the MVM coincide with the Lagrangian equations with multipliers (33) except perhaps in a zero Lebesgue measure set $|W_{2}|=0$ or $|W_{1}|=0.$ When the constraints are nonlinear in the velocity, we have the equivalence (43). Consequently equations of motions of the MVM coincide with the Lagrangian equations with multipliers (33) except perhaps in a zero Lebesgue measure set $|W_{2}|=0.$ We illustrate this result in the following example. Example 2. Let $\left(\mathbb{R}^{2},\quad L_{0}=\dfrac{1}{2}\left(\dot{x}^{2}+\dot{y}^{2}\right)-U(x,y),\quad\\{2\left({x}\dot{{x}}+{y}\dot{{y}}\right)=0\\}\right),$ be the constrained Lagrangian systems. In order to apply Theorem 2 we choose the arbitrary function $L_{1}$ and $L_{2}$ as follow * (a) $L_{1}=2\left({x}\dot{{x}}+{y}\dot{{y}}\right),\quad L_{2}=-y\dot{x}+x\dot{y}.$ Thus the matrices $W_{1}$ and $\Omega_{1}$ are $W_{1}=\left(\begin{array}[]{cc}2x&2y\\\ -y&x\\\ \end{array}\right),\quad|W_{1}|=2x^{2}+2y^{2}=2,\quad\Omega_{1}=\left(\begin{array}[]{cc}0&0\\\ -2\dot{y}&2\dot{x}\\\ \end{array}\right).$ Consequently equations (12) describe the motion everywhere for the constrained Lagrangian systems. Equations (12) become $\begin{array}[]{rl}\ddot{x}=\left.-\dfrac{\partial U}{\partial x}+2\dot{y}\left(y\dot{x}-x\dot{y}\right)+2x\dot{\lambda}\right|_{L_{1}=0}=-\dfrac{\partial U}{\partial x}+x\left(\dot{\lambda}-2(\dot{x}^{2}+\dot{y}^{2})\right),\vspace{0.2cm}\\\ \ddot{y}=\left.-\dfrac{\partial U}{\partial y}-2\dot{x}\left(y\dot{x}-x\dot{y}\right)+2y\dot{\lambda}\right|_{L_{1}=0}=-\dfrac{\partial U}{\partial y}+y\left(\dot{\lambda}-2(\dot{x}^{2}+\dot{y}^{2})\right),\end{array}$ Transpositional relations take the form (59) $\delta\dfrac{d{x}}{dt}-\dfrac{d\delta{x}}{dt}=2y\left(\dot{y}\delta x-\dot{x}\delta y\right),\quad\delta\dfrac{d{y}}{dt}-\dfrac{d\delta{y}}{dt}=-2x\left(\dot{y}\delta x-\dot{x}\delta y\right).$ * (b) If we choose $L_{2}=\dfrac{y\dot{x}}{x^{2}+y^{2}}-\dfrac{x\dot{y}}{x^{2}+y^{2}}=\dfrac{d}{dt}\arctan{\dfrac{x}{y}},$ then $W_{1}=\left(\begin{array}[]{cc}2x&2y\\\ \dfrac{y}{x^{2}+y^{2}}&-\dfrac{x}{x^{2}+y^{2}}\\\ \end{array}\right),\quad|W_{1}|=-2,\quad\Omega_{1}=\left(\begin{array}[]{cc}0&0\\\ 0&0\\\ \end{array}\right).$ Equations (12) and transpositional relations become $\ddot{x}=-\dfrac{\partial U}{\partial\,x}+2x\dot{\lambda},\quad\ddot{y}=-\dfrac{\partial U}{\partial y}+2y\dot{\lambda},$ (60) $\delta\dfrac{d{x}}{dt}-\dfrac{d\delta{x}}{dt}=0,\quad\delta\dfrac{d{y}}{dt}-\dfrac{d\delta{y}}{dt}=0.$ respectively. From this example we obtain that for the holonomic constrained Lagrangian systems the transpositional relations can be non–zero (see (59)), or can be zero (see (60)). We observe that from condition (34) it follows the relation $x\left(\delta\dfrac{d{x}}{dt}-\dfrac{d\delta{x}}{dt}\right)+y\left(\delta\dfrac{d{y}}{dt}-\dfrac{d\delta{y}}{dt}\right)=0.$ This equality holds identically if (60) and (59) takes place. The equations of motions (33) in this case are $\ddot{x}=-\dfrac{\partial U}{\partial\,x}+2x\,\mu,\quad\ddot{y}=-\dfrac{\partial U}{\partial y}+2y\,\mu,$ with $\mu=\dot{\lambda}-2(\dot{x}^{2}+\dot{y}^{2}).$ Example 3. To contrast the MVM with the classical model we apply Theorems 2 to the Gantmacher’s systems (see for more details [11, 45]). Two material points $m_{1}$ and $m_{2}$ with equal masses are linked by a metal rod with fixed length $l$ and small mass. The systems can move only in the vertical plane and so the speed of the midpoint of the rod is directed along the rod. It is necessary to determine the trajectories of the material points $m_{1}$ and $m_{2}.$ Let $(q_{1},\,r_{1})$ and $(q_{2},\,r_{2})$ be the coordinates of the points $m_{1}$ and $m_{2},$ respectively. Clearly $(q_{1}-q_{2})^{2}+(r_{1}-r_{2})^{2}=l^{2}.$ Thus we have a constrained Lagrangian system in the configuration space $\mathbb{R}^{4}$ with the Lagrangian function $\textsc{L}=\dfrac{1}{2}\left(\dot{q}^{2}_{1}+\dot{q}^{2}_{2}+\dot{r}^{2}_{1}+\dot{r}^{2}_{2}\right)-g/2{(r_{1}+r_{2})},$ and with the linear constraints $(q_{2}-q_{1})(\dot{q}_{2}-\dot{q}_{1})+(r_{2}-r_{1})(\dot{r}_{2}-\dot{r}_{1})=0,\quad(q_{2}-q_{1})(\dot{r}_{2}+\dot{r}_{1})-(r_{2}-r_{1})(\dot{q}_{2}+\dot{q}_{1})=0.$ Introducing the following change of coordinates: $x_{1}=\dfrac{q_{2}-q_{1}}{2},\quad x_{2}=\dfrac{r_{1}-r_{2}}{2},\quad x_{3}=\dfrac{r_{2}+r_{1}}{2},\quad x_{4}=\dfrac{q_{1}+q_{2}}{2},$ we obtain $x^{2}_{1}+x^{2}_{2}=\dfrac{1}{4}\left((q_{1}-q_{2})^{2}+(r_{1}-r_{2})^{2}\right)=\dfrac{l^{2}}{4}.$ Hence we have the constrained Lagrangian mechanical systems $\left(\mathbb{R}^{4},\quad\tilde{L}=\displaystyle\frac{1}{2}\sum_{j=1}^{4}\dot{x}^{2}_{j}-gx_{3},\quad\\{x_{1}\dot{x}_{1}+x_{2}\dot{x}_{2}=0,\quad x_{1}\dot{x}_{3}-x_{2}\dot{x}_{4}=0\\}\right).$ The equations of motion (33) obtained from the d’Alembert–Lagrange principle are (61) $\ddot{x}_{1}=\mu_{1}x_{1},\quad\ddot{x}_{2}=\mu_{1}x_{2},\quad\ddot{x}_{3}=-g+\mu_{2}x_{1},\quad\ddot{x}_{4}=-\mu_{2}x_{2},$ where $\mu_{1},\,\mu_{2}$ are the Lagrangian multipliers such that (62) $\mu_{1}=-\dfrac{\dot{x}^{2}_{1}+\dot{x}^{2}_{2}}{x^{2}_{1}+x^{2}_{2}},\quad\mu_{2}=\dfrac{\dot{x}_{2}\dot{x}_{4}-\dot{x}_{1}\dot{x}_{3}+gx_{1}}{x^{2}_{1}+x^{2}_{2}}.$ For applying Theorem 2 we have the constraints $L_{1}=x_{1}\dot{x}_{1}+x_{2}\dot{x}_{2}=0,\quad L_{2}=x_{1}\dot{x}_{3}-x_{2}\dot{x}_{4}=0,$ and we choose the arbitrary functions $L_{3}$ and $L_{4}$ as follows $L_{3}=-x_{1}\dot{x}_{2}+x_{2}\dot{x}_{1},\quad L_{4}=x_{2}\dot{x}_{3}+x_{1}\dot{x}_{4}.$ For the given functions we obtain that $W_{1}=\left(\begin{array}[]{cccc}x_{1}&x_{2}&0&0\\\ 0&0&x_{1}&-x_{2}\\\ x_{2}&-x_{1}&0&0\\\ 0&0&x_{2}&x_{1}\end{array}\right),\quad\Omega_{1}=\left(\begin{array}[]{cccc}0&0&0&0\\\ -\dot{x}_{3}&\dot{x}_{4}&\dot{x}_{1}&-\dot{x}_{2}\\\ -2\dot{x}_{2}&2\dot{x}_{1}&0&0\\\ -\dot{x}_{4}&-\dot{x}_{3}&\dot{x}_{2}&\dot{x}_{1}\end{array}\right).$ Therefore $|W_{1}|=(x^{2}_{1}+x^{2}_{2})^{2}=\dfrac{l^{2}}{4}\neq 0.$ The matrix $A$ in this case is $\left(\begin{array}[]{cccc}\dfrac{2x_{2}\dot{x}_{2}}{x^{2}_{1}+x^{2}_{2}}&-\dfrac{2x_{2}\dot{x}_{1}}{x^{2}_{1}+x^{2}_{2}}&0&0\vspace{0.2cm}\\\ -\dfrac{2x_{1}\dot{x}_{2}}{x^{2}_{1}+x^{2}_{2}}&\dfrac{2x_{1}\dot{x}_{1}}{x^{2}_{1}+x^{2}_{2}}&0&0\vspace{0.2cm}\\\ -\dfrac{x_{1}\dot{x}_{3}+x_{2}\dot{x}_{4}}{x^{2}_{1}+x^{2}_{2}}&\dfrac{x_{1}\dot{x}_{4}-x_{2}\dot{x}_{3}}{x^{2}_{1}+x^{2}_{2}}&\dfrac{x_{1}\dot{x}_{1}+x_{2}\dot{x}_{2}}{x^{2}_{1}+x^{2}_{2}}&\dfrac{x_{2}\dot{x}_{1}-x_{1}\dot{x}_{2}}{x^{2}_{1}+x^{2}_{2}}\vspace{0.2cm}\\\ \dfrac{x_{1}\dot{x}_{4}-x_{2}\dot{x}_{3}}{x^{2}_{1}+x^{2}_{2}}&\dfrac{x_{1}\dot{x}_{3}-x_{2}\dot{x}_{4}}{x^{2}_{1}+x^{2}_{2}}&\dfrac{x_{2}\dot{x}_{1}-x_{1}\dot{x}_{2}}{x^{2}_{1}+x^{2}_{2}}&\dfrac{x_{1}\dot{x}_{1}+x_{2}\dot{x}_{2}}{x^{2}_{1}+x^{2}_{2}}\end{array}\right).$ Consequently differential equations (12) take the form (63) $\begin{array}[]{rl}\ddot{x}_{1}=&\left.\left(\dfrac{2x_{2}\dot{x}_{1}\dot{x}_{2}-2x_{1}\dot{x}^{2}_{2}-x_{1}\dot{x}^{2}_{3}-x_{1}\dot{x}^{2}_{4}}{x^{2}_{1}+x^{2}_{2}}+x_{1}\dot{\lambda}_{1}\right)\right|_{L_{1}=L_{2}=0}\vspace{0.2cm}\\\ =&x_{1}\left(\dot{\lambda}_{1}-\dfrac{2\dot{x}^{2}_{1}+2\dot{x}^{2}_{2}+\dot{x}^{2}_{3}+\dot{x}^{2}_{4}}{x^{2}_{1}+x^{2}_{2}}\right),\vspace{0.2cm}\\\ \ddot{x}_{2}=&-\left.\left(\dfrac{-2x_{1}\dot{x}_{1}\dot{x}_{2}+2x_{2}\dot{x}^{2}_{2}+x_{2}\dot{x}^{2}_{3}+x_{2}\dot{x}^{2}_{4}}{x^{2}_{1}+x^{2}_{2}}+x_{2}\dot{\lambda}_{1}\right)\right|_{L_{1}=L_{2}=0}\vspace{0.2cm}\\\ =&x_{2}\left(\dot{\lambda}_{1}-\dfrac{2\dot{x}^{2}_{1}+2\dot{x}^{2}_{2}+\dot{x}^{2}_{3}+\dot{x}^{2}_{4}}{x^{2}_{1}+x^{2}_{2}}\right),\vspace{0.2cm}\\\ \ddot{x}_{3}=&\left.\left(\dfrac{\dot{x}_{3}\left(x_{1}\dot{x}_{1}+x_{2}\dot{x}_{2}\right)-\dot{x}_{4}\left(x_{2}\dot{x}_{1}-x_{1}\dot{x}_{2}\right)}{x^{2}_{1}+x^{2}_{2}}+x_{1}\dot{\lambda}_{2}-g\right)\right|_{L_{1}=L_{2}=0}\vspace{0.2cm}\\\ =&\dfrac{\dot{x}_{4}\left(x_{2}\dot{x}_{1}-x_{1}\dot{x}_{2}\right)}{x^{2}_{1}+x^{2}_{2}}+x_{1}\dot{\lambda}_{2}-g,\vspace{0.2cm}\\\ \ddot{x}_{4}=&\left.\left(\dfrac{\dot{x}_{4}\left(x_{1}\dot{x}_{1}+x_{2}\dot{x}_{2}\right)-\dot{x}_{3}\left(x_{2}\dot{x}_{1}-x_{1}\dot{x}_{2}\right)}{x^{2}_{1}+x^{2}_{2}}-x_{2}\dot{\lambda}_{2}\right)\right|_{L_{1}=L_{2}=0}\vspace{0.2cm}\\\ =&-\dfrac{\dot{x}_{3}\left(x_{2}\dot{x}_{1}-x_{1}\dot{x}_{2}\right)}{x^{2}_{1}+x^{2}_{2}}-x_{2}\dot{\lambda}_{2}.\end{array}$ Derivating the constraints we obtain that the multipliers $\dot{\lambda}_{1}$ and $\dot{\lambda}_{2}$ are $\dot{\lambda}_{1}=\dfrac{\dot{x}^{2}_{1}+\dot{x}^{2}_{2}+\dot{x}^{2}_{3}+\dot{x}^{2}_{4}}{x^{2}_{1}+x^{2}_{2}}=\mu_{1}+\dfrac{\dot{x}^{2}_{3}+\dot{x}^{2}_{4}}{x^{2}_{1}+x^{2}_{2}},\quad\dot{\lambda}_{2}=\dfrac{gx_{1}}{x^{2}_{1}+x^{2}_{2}}=\mu_{2}+\dfrac{\dot{x}_{1}\dot{x}_{3}-\dot{x}_{2}\dot{x}_{4}}{x^{2}_{1}+x^{2}_{2}}.$ Inserting these values into (63) we deduce $\begin{array}[]{ll}\ddot{x}_{1}=&-\dfrac{x_{1}\left(\dot{x}^{2}_{1}+\dot{x}^{2}_{2}\right)}{x^{2}_{1}+x^{2}_{2}},\qquad\ddot{x}_{2}=\dfrac{x_{2}\left(\dot{x}^{2}_{1}+\dot{x}^{2}_{2}\right)}{x^{2}_{1}+x^{2}_{2}},\vspace{0.2cm}\\\ \ddot{x}_{3}=&-g+\dfrac{x_{1}\left(\dot{x}_{2}\dot{x}_{4}-\dot{x}_{1}\dot{x}_{3}+gx_{1}\right)}{x^{2}_{1}+x^{2}_{2}},\quad\ddot{x}_{4}=-\dfrac{x_{2}\left(\dot{x}_{2}\dot{x}_{4}-\dot{x}_{1}\dot{x}_{3}+gx_{1}\right)}{x^{2}_{1}+x^{2}_{2}}.\end{array}$ These equations coincide with equations (61) everywhere because $|W_{1}|=\dfrac{l^{2}}{4},$ where $l$ is the length of the rod. The transpositional relations in this case are (64) $\begin{array}[]{ll}\delta\dfrac{d{x}_{1}}{dt}-\dfrac{d\delta{x}_{1}}{dt}=&-\dfrac{2x_{2}}{x^{2}_{1}+x^{2}_{2}}\left(\dot{x}_{1}\delta x_{2}-\dot{x}_{2}\delta x_{1}\right),\vspace{0.2cm}\\\ \delta\dfrac{d{x}_{2}}{dt}-\dfrac{d\delta{x}_{2}}{dt}=&\dfrac{2x_{1}}{x^{2}_{1}+x^{2}_{2}}\left(\dot{x}_{1}\delta x_{2}-\dot{x}_{2}\delta x_{1}\right),\vspace{0.2cm}\\\ \delta\dfrac{d{x}_{3}}{dt}-\dfrac{d\delta{x}_{3}}{dt}=&\dfrac{x_{1}}{x^{2}_{1}+x^{2}_{2}}\left(\dot{x}_{1}\delta x_{3}-\dot{x}_{3}\delta x_{1}+\dot{x}_{4}\delta x_{2}-\dot{x}_{2}\delta x_{4}\right),\vspace{0.2cm}\\\ &+\dfrac{x_{2}}{x^{2}_{1}+x^{2}_{2}}\left(\dot{x}_{1}\delta x_{4}-\dot{x}_{4}\delta x_{1}+\dot{x}_{2}\delta x_{3}-\dot{x}_{3}\delta x_{2}\right),\\\ \delta\dfrac{d{x}_{4}}{dt}-\dfrac{d\delta{x}_{4}}{dt}=&-\dfrac{x_{2}}{x^{2}_{1}+x^{2}_{2}}\left(\dot{x}_{1}\delta x_{3}-\dot{x}_{3}\delta x_{1}+\dot{x}_{4}\delta x_{2}-\dot{x}_{2}\delta x_{4}\right)\vspace{0.3cm}\\\ &+\dfrac{x_{1}}{x^{2}_{1}+x^{2}_{2}}\left(\dot{x}_{1}\delta x_{4}-\dot{x}_{4}\delta x_{1}+\dot{x}_{2}\delta x_{3}-\dot{x}_{3}\delta x_{2}\right).\end{array}$ From this example we again get that the virtual variations produce the non–zero transpositional relations. ###### Remark 21. From the previous example we observe that the virtual variations produce zero or non–zero transpositional relations, depending on the arbitrary functions which appear in the construction of the proposed mathematical model. Thus, the following question arises: Can be choosen the arbitrary functions $L_{j}$ for $j=M+1,\ldots,N$ in such a way that for the nonholonomic systems only the independent virtual variations would generate zero transpositional relations? The positive answer to this question is obtained locally for any constrained Lagrangian systems and globally for the Chaplygin-Voronets mechanical systems, and for the generalization of these systems studied in the next section. ## 8\. MVM and nonholonomic generalized Voronets–Chaplygin systems. Proofs of Theorem 4 and Proposition 5 and 6. It was pointed out by Chaplygin [6] that in many conservative nonholonomic systems the generalized coordinates $\left(\textbf{x},\textbf{y}\right):=\left(x_{1},\ldots,x_{s_{1}},y_{1},\ldots,y_{s_{2}}\right),\quad s_{1}+s_{2}=N,$ can be chosen in such a way that the Lagrangian function and the constraints take the simplest form. In particular Voronets in [53] studied the constrained Lagrangian systems with Lagrangian $\tilde{L}=\tilde{L}\left(\textbf{x},\textbf{y},\dot{\textbf{x}},\dot{\textbf{y}}\right)$ and constraints (22). This systems is called the Voronets mechanical systems. We shall apply equations (12) to study the generalization of the Voronets systems, which we define now. The constrained Lagrangian mechanical systems (65) $\left(\textsc{Q},\quad\tilde{L}\left(t,\textbf{x},\textbf{y},\dot{\textbf{x}},\dot{\textbf{y}}\right),\quad\\{\dot{x}_{\alpha}-\Phi_{\alpha}\left(t,\textbf{x},\textbf{y},\dot{\textbf{y}}\right)=0,\quad\alpha=1,\ldots,s_{1}\\}\right),$ is called the generalized Voronets mechanical systems. An example of generalized Voronets systems is Appell-Hamel systems analyzed in the previous subsection. ###### Corollary 22. Every Nonholonomic constrained Lagrangian mechanical systems locally is a generalized Voronets mechanical systems. ###### Proof. Indeed, the independent constraints can be locally represented in the form (26). Thus by introducing the coordinates $x_{j}=x_{j},\quad\mbox{for}\quad j=1,\ldots,M,\quad x_{M+k}=y_{k},\quad\mbox{for}\quad k=1,\ldots,N-M,$ then we have that any constrained Lagrangian mechanical systems is locally a generalized Voronets mechanical systems. ∎ ###### Proof of Theorem 4. For simplicity we shall study only scleronomic generalized Voronets systems. To determine equations (12) we suppose that (66) $L_{\alpha}=\dot{x}_{\alpha}-\Phi_{\alpha}\left(\textbf{x},\textbf{y},\dot{\textbf{y}}\right)=0,\quad\alpha=1,\ldots,s_{1}.$ It is evident from the form of the constraint equations that the virtual variations $\delta{\textbf{y}},$ are independent by definition. The remaining variations $\delta{\textbf{x}},$ can be expressed in terms of them by the relations (Chetaev’s conditions) (67) $\delta{x}_{\alpha}-\sum_{j=1}^{s_{2}}\frac{\partial{L_{\alpha}}}{\partial{\dot{y_{j}}}}\delta{y_{j}}=0,\quad\alpha=1,\ldots,s_{1}.$ We shall apply Theorem 2. To construct the matrix $W_{1}.$ We first determine $L_{{s_{1}}+1},\ldots,L_{s_{1}+s_{2}}=L_{N}$ as follow: $L_{s_{1}+j}=\dot{y}_{j},\quad j=1,\ldots,s_{2}.$ Hence, the Lagrangian (4) becomes (68) $L=L_{0}-\sum_{j=1}^{s_{1}}\lambda_{j}\left(\dot{x}_{\alpha}-\Phi_{\alpha}(x,y,\dot{y})\right)-\sum_{j=s_{1}+1}^{N}\lambda^{0}_{j}\dot{y}_{j}\simeq L_{0}-\sum_{j=1}^{s_{1}}\lambda_{j}\left(\dot{x}_{\alpha}-\Phi_{\alpha}(x,y,\dot{y})\right).$ The matrices $W_{1}$ and $W^{-1}_{1}$ are (69) $\left(\begin{array}[]{ccccccc}1&\ldots&0&0&a_{11}&\ldots&a_{{s_{2}}1}\\\ 0&\ldots&0&0&a_{12}&\ldots&a_{{s_{2}}2}\\\ \vdots&\ldots&\vdots&\vdots&\vdots&\ldots&\vdots\\\ 0&\ldots&\vdots&1&a_{1{s_{1}}}&\ldots&a_{{s_{2}}{s_{1}}}\\\ 0&\ldots&0&0&1&\ldots&0\\\ \vdots&\ldots&\vdots&\vdots&\vdots&\ldots&\vdots\\\ 0&\ldots&0&0&0&\ldots&1\end{array}\right),\quad\left(\begin{array}[]{ccccccc}1&\ldots&0&0&-a_{11}&\ldots&-a_{{s_{2}}1}\\\ 0&\ldots&0&0&-a_{12}&\ldots&-a_{{s_{2}}2}\\\ \vdots&\ldots&\vdots&\vdots&\vdots&\ldots&\vdots\\\ 0&\ldots&\vdots&1&a_{1{s_{1}}}&\ldots&-a_{{s_{2}}{s_{1}}}\\\ 0&\ldots&0&0&1&\ldots&0\\\ \vdots&\ldots&\vdots&\vdots&\vdots&\ldots&\vdots\\\ 0&\ldots&0&0&0&\ldots&1\end{array}\right),$ respectively, where $a_{\alpha\,j}=\dfrac{\partial{L_{\alpha}}}{\partial\dot{y}_{j}},$ and the matrices $\Omega_{1}$ and $A$ are (70) $A=\Omega_{1}:=\left(\begin{array}[]{ccccccc}E_{1}(L_{1})&\ldots&E_{s_{1}}(L_{1})&E_{s_{1}+1}(L_{1})&\ldots&E_{N}(L_{1})\\\ \vdots&\ldots&\vdots&\ldots&\ldots&\vdots\\\ E_{1}(L_{s_{1}})&\ldots&E_{s_{1}}(L_{s_{1}})&E_{s_{1}+1}(L_{s_{1}})&\ldots&E_{N}(L_{s_{1}})\\\ 0&\ldots&0&\ldots&0&0\\\ \vdots&\ldots&\vdots&\ldots&\ldots&\vdots\\\ 0&\ldots&0&\ldots&0&0\end{array}\right),$ respectively. Consequently the differential equations (12) take the form (18). The transpositional relations (13) in view of (67) take the form (21). As we can observe from (21) the independent virtual variations $\delta{\textbf{y}}$ for the systems with the constraints (66) produce the zero transpositional relations. The fact that the transpositional relations are zero follows automatically and it is not necessary to assume it a priori, and it is valid in general for the constraints which are nonlinear in the velocity variables. We observe that the relations (34) in this case take the form $\delta\dfrac{dx_{\alpha}}{dt}-\dfrac{d}{dt}\delta\,x_{\alpha}+\displaystyle\sum_{m=1}^{s_{2}}\dfrac{\partial L_{\alpha}}{\partial\dot{y}_{m}}\left(\delta\dfrac{dy_{m}}{dt}-\dfrac{d}{dt}\delta\,y_{m}\right)=\displaystyle\sum_{k=1}^{s_{1}}E_{k}(L_{\alpha})\delta x_{k}+\displaystyle\sum_{k=1}^{s_{2}}E_{k}(L_{\alpha})\delta y_{k}.$ for $\alpha=1,\ldots,s_{1}.$ Clearly from (21) these relations hold identically. From differential equations (18), eliminating the Lagrangian multipliers we obtain equations (19). After some computations we obtain (71) $\begin{array}[]{rl}\dfrac{d}{dt}\left(\dfrac{\partial\,L_{0}}{\partial\dot{y}_{k}}-\displaystyle\sum_{\alpha=1}^{s_{1}}\dfrac{\partial\,L_{\alpha}}{\partial\dot{y}_{k}}\dfrac{\partial\,L_{0}}{\partial\dot{x}_{\alpha}}\right)-&\left(\dfrac{\partial\,L_{0}}{\partial{y}_{k}}-\displaystyle\sum_{\alpha=1}^{s_{1}}\dfrac{\partial\,L_{\alpha}}{\partial{y}_{k}}\dfrac{\partial\,L_{0}}{\partial{\dot{x}}_{\alpha}}\right)+\vspace{0.2cm}\\\ &\displaystyle\sum_{\alpha=1}^{s_{1}}\left(\dfrac{\partial\,L_{0}}{\partial{x}_{\alpha}}-\displaystyle\sum_{\beta=1}^{s_{1}}\dfrac{\partial\,L_{\beta}}{\partial{x}_{\alpha}}\dfrac{\partial\,L_{0}}{\partial\dot{x}_{\beta}}\right)\dfrac{\partial\,L_{\alpha}}{\partial\dot{y}_{k}}=0,\end{array}$ for $k=1,\ldots,s_{2}.$ By introducing the function $\Theta=\left.L_{0}\right|_{L_{1}=\ldots=L_{s_{1}}=0},$ equations (71) can be written as (72) $\dfrac{d}{dt}\left(\dfrac{\partial\,\Theta}{\partial\dot{y}_{k}}\right)-\left(\dfrac{\partial\,\Theta}{\partial{y}_{k}}\right)+\displaystyle\sum_{\alpha=1}^{s_{1}}\left(\dfrac{\partial\,\Theta}{\partial{x}_{\alpha}}\right)\dfrac{\partial\,L_{\alpha}}{\partial\dot{y}_{k}}=0,$ for $k=1,\ldots,s_{2}.$ Here we consider that $\dfrac{d}{dt}\left(\dfrac{\partial L_{\beta}}{\partial\dot{x}_{\alpha}}\right)=0,$ for $\alpha,\,\beta=1,\ldots,s_{1}.$ We shall study the case when equations (72) hold identically, i.e. $\Theta=0.$ We choose (73) $L_{0}=\tilde{L}\left(\textbf{x},\textbf{y},\dot{\textbf{x}},\dot{\textbf{y}}\right)-\tilde{L}\left(\textbf{x},\textbf{y},\Phi,\dot{\textbf{y}}\right)=\tilde{L}-L^{*},$ being $\tilde{L}$ the Lagrangian of (65). Now we establish the relations between equations (18) and the classical Voronets differential equations with the Lagrangian function $L^{*}=\left.\tilde{L}\right|_{L_{1}=\ldots=L_{s_{1}}=0}.$ The functions $\tilde{L}$ and $L^{*}$ are determined in such a way that equations (19) take place in view of the equalities $E_{k}\tilde{L}=\displaystyle\sum_{\alpha=1}^{s_{1}}E_{\alpha}\tilde{L}\dfrac{\partial\,L_{\alpha}}{\partial\dot{y}_{k}},$ and $E_{k}L^{*}=-\displaystyle\sum_{\alpha=1}^{s_{1}}\left(-E_{k}(L_{\alpha}\,)+\displaystyle\sum_{\nu=1}^{s_{1}}E_{\nu}\,(L_{\alpha})\dfrac{\partial\,L_{\nu}}{\partial\dot{y}_{k}}\right)\dfrac{\partial\,\tilde{L}}{\partial\dot{x}_{\alpha}}-\displaystyle\sum_{\nu=1}^{s_{1}}E_{\nu}(L^{*})\dfrac{\partial L_{\nu}}{\partial\dot{y}_{k}},$ for $k=1,\ldots,s_{2},$ which in view of equalities $\dfrac{d}{dt}\left(\dfrac{\partial L^{*}}{\partial\dot{x}_{\nu}}\right)=0$ for $\nu=1,\ldots,s_{1},$ take the form (20). ∎ ###### Proof of Proposition 5. Equations (20) describe the motion of the constrained generalized Voronets systems with Lagrangian $L^{*}$ and constraints (66). The classical Voronets equations for scleronomic systems are easy to obtain from (20) with $\Phi_{\alpha}=\displaystyle\sum_{k=1}^{s_{2}}a_{\alpha\,k}(\textbf{x},\textbf{y})\dot{y}_{k}.$ ∎ Finally by considering Corollary 22 we get that differential equations (20) describe locally the motions of any constrained Lagragian systems. ### 8.1. Generalized Chaplygin systems The constrained Lagrangian mechanical systems with Lagrangian $\tilde{L}=\tilde{L}\left(\textbf{y},\dot{\textbf{x}},\dot{\textbf{y}}\right),$ and constraints (24) is called the Chaplygin mechanical systems. The constrained Lagrangian systems $\left(\textsc{Q},\quad\tilde{L}\left(\textbf{y},\dot{\textbf{x}},\dot{\textbf{y}}\right),\qquad\\{\dot{x}_{\alpha}-\Phi_{\alpha}\left(\textbf{y},\,\dot{\textbf{y}}\right)=0,\quad\alpha=1,\ldots,s_{1}\\}\right)$ is called the generalized Chaplygin systems. Note that now the Lagrangian do not depend on x and the constraints do not depend on x and $\dot{\textbf{x}}.$ So, the generalized Chaplygin systems are a particular case of the generalized Voronets system. ###### Proof of Proposition 6. To determine the differential equations which describe the behavior of the generalized Chaplygin systems we apply Theorem 2, with $L_{0}={L}_{0}\left(\textbf{y},\dot{\textbf{x}},\dot{\textbf{y}}\right),\quad L_{\alpha}=\dot{x}_{\alpha}-\Phi_{\alpha}\left(\textbf{y}\dot{\textbf{y}}\right),\quad L_{\beta}=\dot{y}_{\beta},$ for $\alpha=1,\ldots,s_{1}$ and $\beta=s_{1}+1,\ldots,s_{2}$ and consequently the matrix $W_{1}$ is given by the formula (69) and (74) $\begin{array}[]{rl}A=\Omega_{1}:=&\left(\begin{array}[]{ccccccc}E_{1}(L_{1})&\ldots&E_{s_{1}}(L_{1})&E_{s_{1}+1}(L_{1})&\ldots&E_{N}(L_{1})\\\ \vdots&\ldots&\vdots&\ldots&\ldots&\vdots\\\ E_{1}(L_{s_{1}})&\ldots&E_{s_{1}}(L_{s_{1}})&E_{s_{1}+1}(L_{s_{1}})&\ldots&E_{N}(L_{s_{1}})\\\ 0&\ldots&0&\ldots&0&0\\\ \vdots&\ldots&\vdots&\ldots&\ldots&\vdots\\\ 0&\ldots&0&\ldots&0&0\end{array}\right)\vspace{0.30cm}\\\ =&\left(\begin{array}[]{ccccccc}0&\ldots&0&E_{s_{1}+1}(L_{1})&\ldots&E_{N}(L_{1})\\\ \vdots&\ldots&\vdots&\ldots&\ldots&\vdots\\\ 0&\ldots&0&E_{s_{1}+1}(L_{s_{1}})&\ldots&E_{N}(L_{s_{1}})\\\ 0&\ldots&0&\ldots&0&0\\\ \vdots&\ldots&\vdots&\ldots&\ldots&\vdots\\\ 0&\ldots&0&\ldots&0&0\end{array}\right),\end{array}$ Therefore the differential equations (12) take the form (75) $\begin{array}[]{rl}E_{j}L_{0}=&\dfrac{d}{dt}\left(\dfrac{\partial L_{0}}{\partial\dot{x}_{\alpha}}\right)=\dot{\lambda}_{j}\quad j=1,\ldots,s_{1},\\\ E_{k}L_{0}=&\displaystyle\sum_{\alpha=1}^{s_{1}}\left(E_{k}L_{\alpha}\,\dfrac{\partial L_{0}}{\partial\dot{x}_{\alpha}}+\dot{\lambda}_{\alpha}\dfrac{\partial L_{\alpha}}{\partial\dot{y}_{k}}\right)\quad k=1,\ldots,s_{2}.\end{array}$ The transpositional relations are (76) $\begin{array}[]{rl}&\delta\dfrac{dx_{\alpha}}{dt}-\dfrac{d}{dt}\delta\,x_{\alpha}=\displaystyle\sum_{k=1}^{s_{2}}E_{k}(L_{\alpha})\delta y_{k},\quad\alpha=1,\ldots,s_{1},\\\ &\delta\dfrac{dy_{m}}{dt}-\dfrac{d}{dt}\delta\,y_{m}=0,\quad m=1,\ldots,s_{2}.\end{array}$ By excluding the Lagrangian multipliers from (75) we obtain the equations $E_{k}L_{0}=\displaystyle\sum_{\alpha=1}^{s_{1}}\left(E_{k}(L_{\alpha})\dfrac{\partial L_{0}}{\partial\dot{x}_{\alpha}}+\dfrac{d}{dt}\left(\dfrac{\partial L_{0}}{\partial\dot{x}_{\alpha}}\right)\dfrac{\partial L_{\alpha}}{\partial\dot{y}_{k}}\right),$ for $k=1,\ldots,s_{2}.$ In this case equations (73) take the form (77) $\dfrac{d}{dt}\left(\dfrac{\partial\,\Theta}{\partial\dot{y}_{k}}\right)-\left(\dfrac{\partial\,\Theta}{\partial{y}_{k}}\right)=0,$ Analogously to the Voronets case we study the subcase when $\Theta=0.$ We choose $L_{0}=\tilde{L}\left(\textbf{y},\dot{\textbf{x}},\dot{\textbf{y}}\right)-\tilde{L}\left(\textbf{y},\Phi,\dot{\textbf{y}}\right):=\tilde{L}-L^{*}.$ We assume that the functions $\tilde{L}$ and $L^{*}$ are such that (78) $E_{k}L^{*}=-\displaystyle\sum_{\alpha=1}^{s_{1}}E_{k}(L_{\alpha})\dfrac{\partial\tilde{L}}{\partial\dot{x}_{\alpha}}\Psi_{\alpha},$ where $\Psi_{\alpha}=\left.\dfrac{\partial\tilde{L}}{\partial\dot{x}_{\alpha}}\right|_{L_{1}=\ldots=L_{s_{1}}=0}$ and $E_{k}(\tilde{L})=\displaystyle\sum_{\alpha=1}^{s_{1}}\dfrac{d}{dt}\left(\dfrac{\partial\tilde{L}}{\partial\dot{x}_{\alpha}}\right)\dfrac{\partial L_{\alpha}}{\partial\dot{y}_{k}},$ for $k=1,\ldots,s_{2}.$ By inserting $\dot{x}_{j}=\displaystyle\sum_{k=1}^{s_{2}}a_{j\,k}(\textbf{y})\dot{y}_{k},\quad j=1,\ldots,s_{1},$ into equations (78) we obtain system (25). Consequently system (78) is an extension of the classical Chaplygin equations when the constraints are nonlinear. ∎ For the generalized Chaplygin systems the Lagrangian $L$ takes the form (79) $L=\tilde{L}(\textbf{y},\dot{\textbf{x}},\dot{\textbf{y}})-\tilde{L}(\textbf{y},\Phi,\dot{\textbf{y}})-\displaystyle\sum_{j=1}^{s_{1}}\left(\dfrac{\partial L^{*}}{\partial\dot{x}_{j}}+C_{j}\right)\left(\dot{x}_{j}-\Phi_{j}(\textbf{y},\dot{\textbf{y}})\right)-\displaystyle\sum_{j=}^{s_{2}}\lambda^{0}_{j}\dot{y}_{j},$ for $j=1,\ldots,s_{1}$ where the constants $C_{j}$ for $j=1,\ldots,s_{1}$ are arbitrary. Indeed, from (75) follows that $\lambda_{j}=\dfrac{\partial L_{0}}{\partial\dot{x}_{j}}+C_{j}=\dfrac{\partial L^{*}}{\partial\dot{x}_{j}}+C_{j}.$ By inserting in (4) $L_{0}=\tilde{L}-L^{*}$ and $\lambda_{j}$ for $j=1,\ldots,s_{1}$ we obtain function $L$ of (79). We note that Vorones and Chaplygin equations with nonlinear constraints in the velocity was also obtained by Rumiansev and Sumbatov $($see [44, 47]$)$. Example 4. We shall illustrate the above results in the following example. In the Appel’s and Hamel’s investigations the following mechanical system was analyzed. A weight of mass $m$ hangs on a thread which passes around the pulleys and is wound round the drum of radius $a$. The drum is fixed to a wheel of radius $b$ which rolls without sliding on a horizontal plane, touching it at the point $B$ with the coordinates $(x_{B},\,y_{B})$. The legs of the frame that support the pulleys and keep the plane of the wheel vertical slide on the horizontal plane without friction. Let $\theta$ be the angle between the plane of the wheel and the $Ox$ axis; $\varphi$ the angle of the rotation of the wheel in its own plane; and $(x,y,z)$ the coordinates of the mass $m.$ Clearly, $\dot{z}=b\dot{\varphi},\quad b>0.$ The coordinates of the point $B$ and the coordinates of the mass are related as follows (see page 223 of [35] for a picture) $x=x_{B}+\rho\cos\theta,\quad y=y_{B}+\rho\sin\theta.$ The condition of rolling without sliding leads to the equations of nonholonomic constraints: $\dot{x}_{B}=a\cos\theta\dot{\varphi},\quad\dot{y}_{B}=a\sin\theta\dot{\varphi}\quad b>0.$ We observe that the constraints $\dot{z}=b\dot{\varphi}$ admits the representation $\dot{z}=\dfrac{b}{a}\sqrt{\dot{x}^{2}+\dot{y}^{2}-\rho^{2}\dot{\theta}^{2}}.$ Denoting by $m_{1},\,A$ and $C$ the mass and the moments of inertia of the wheel and neglecting the mass of the frame, we obtain the following expression for the Lagrangian function $\tilde{L}=\dfrac{m+m_{1}}{2}\left(\dot{x}^{2}+\dot{y}^{2}\right)+\dfrac{m}{2}\dot{z}^{2}+m_{1}\rho\dot{\theta}\left(\sin\theta\dot{x}-\cos\theta\dot{y}\right)+\dfrac{A+m_{1}\rho^{2}}{2}\dot{\theta}^{2}+\dfrac{C}{2}\dot{\varphi}^{2}-mgz.$ The equations of the constraints are $\dot{x}-a\cos\theta\dot{\varphi}+\rho\sin\theta\dot{\theta}=0,\quad\dot{y}-a\sin\theta\dot{\varphi}-\rho\cos\theta\dot{\theta}=0,\quad\dot{z}-b\dot{\varphi}=0,$ Now we shall study the motion of this constrained Lagrangian in the coordinates $x_{1}=x,\,x_{2}=y,\,x_{3}=\dot{\varphi},y_{1}=\theta,\,y_{2}=z.$ i.e., we shall study the nonholonomic system with Lagrangian $\begin{array}[]{rl}\tilde{L}=&\tilde{L}\left(y_{1},\,y_{2},\,\dot{x}_{1},\,\dot{x}_{2},\,\dot{x}_{3},\,\dot{y}_{1},\,\dot{y}_{2}\right)\vspace{0.20cm}\\\ =&\dfrac{m+m_{1}}{2}\left(\dot{x}^{2}_{1}+\dot{x}^{2}_{2}\right)+\dfrac{C}{2}\dot{x}^{2}_{3}+\dfrac{J}{2}\dot{y}^{2}_{1}+\dfrac{m}{2}\dot{y}^{2}_{2}+m_{1}\rho\dot{y_{1}}\left(\sin\,y_{1}\dot{x}_{1}-\cos\,y_{1}\dot{x}_{2}\right)-\dfrac{mg}{b}y_{2},\end{array}$ and with the constraints $\begin{array}[]{rl}l_{1}=&\dot{x}_{1}-\dfrac{a}{b}\,\dot{y}_{2}\cos y_{1}-\rho\dot{y}_{1}\sin\,y_{1}=0,\vspace{0.2cm}\\\ l_{2}=&\dot{x}_{2}-\dfrac{a}{b}\dot{y}_{2}\sin y_{1}+\rho\dot{y}_{1}\cos\,y_{1}=0,\vspace{0.2cm}\\\ l_{3}=&\dot{x}_{3}-\dfrac{1}{b}\dot{y}_{2}=0.\end{array}$ Thus we have a classical Chaplygin system. To determine differential equations (78) and the transpositional relations (76) we define the functions: $\begin{array}[]{rl}L^{*}=-&\tilde{L}|_{l_{1}=l_{2}=l_{3}=0}=\dfrac{m(a^{2}+b^{2})m+a^{2}m_{1}+C}{2b^{2}}\dot{y}^{2}_{2}+\dfrac{m\rho^{2}+J}{2}\dot{y}^{2}_{1}-\dfrac{mg}{b}y_{2},\vspace{0.20cm}\\\ L_{1}=&l_{1},\quad L_{2}=l_{2},\quad L_{3}=l_{3},\quad L_{4}=\dot{y}_{1},\quad L_{5}=\dot{y}_{2}.\end{array}$ After some computations we obtain that the matrix $A$ (see formulae (74)) in this case becomes $A=\left(\begin{array}[]{cccccc}0&0&0&-\dfrac{a}{b}\dot{y}_{2}\sin\,y_{1}&\dfrac{a}{b}\dot{y}_{1}\sin\,y_{1}\vspace{0.20cm}\\\ 0&0&0&\dfrac{a}{b}\dot{y}_{2}\cos\,y_{1}&-\dfrac{a}{b}\dot{y}_{1}\cos\,y_{1}\vspace{0.20cm}\\\ 0&0&0&0&0\\\ 0&0&0&0&0\\\ 0&0&0&0&0\end{array}\right),$ thus differential equations (78) take the form $\begin{array}[]{rl}&\left(m\rho^{2}+J\right)\ddot{y}_{1}+\dfrac{a\rho m}{b}\dot{y}_{1}\dot{y}_{2}=0,\vspace{0.20cm}\\\ &\left((m+m_{1})a^{2}+mb^{2}\right)\ddot{y}_{2}-{mab\rho}\dot{y}^{2}_{1}=-mgb.\end{array}$ Assuming that $(m+2m_{1})\rho^{2}+J\neq 0$ and by considering the existence of the first integrals $\begin{array}[]{rl}C_{2}=&\dot{y}_{1}\exp{\left(-\dfrac{a\varrho my_{2}}{b\left(m\rho^{2}+J\right)}\right)},\vspace{0.2cm}\\\ h=&\dfrac{\left((m+m_{1})a^{2}+mb^{2}\right)}{2}\dot{y}^{2}_{2}+\dfrac{b^{2}\left(m\rho^{2}+J\right)}{2}\dot{y}^{2}_{1}+mgby_{2},\\\ \end{array}$ after the integration of these first integrals we obtain $\begin{array}[]{rl}&\displaystyle\int\dfrac{\sqrt{(m+m_{1})a^{2}+mb^{2}}dy_{2}}{\sqrt{2h-2mgby_{2}-{b^{2}\left(m\rho^{2}+J\right)}C_{3}\exp{\left(\dfrac{a\rho\,my_{2}}{b{m\rho^{2}+J}}\right)}}}=t+C_{1},\vspace{0.30cm}\\\ &y_{1}(t)=C_{3}+C_{2}\displaystyle\int\exp{\left(2\dfrac{a\rho\,my_{2}(t)}{b{m\rho^{2}+J}}\right)}dt.\end{array}$ Consequently, if $\rho=0$ then $y_{1}=C_{3}+C_{2}t,\qquad\displaystyle\int\dfrac{\sqrt{(m+m_{1})a^{2}+mb^{2}}dy_{2}}{\sqrt{2h-2mgby_{2}-{J}C_{3}}}=t+C_{1}.$ Hamel in [15] neglect the mass of the wheel ($m_{1}=J=C=0$). Under these conditions the previous equations become $\begin{array}[]{rl}&\rho^{2}\ddot{y}_{1}+\dfrac{a\rho}{b}\dot{y}_{1}\dot{y}_{2}=0,\vspace{0.20cm}\\\ &(a^{2}+b^{2})\ddot{y}_{2}-ab\rho\dot{y}^{2}_{1}=-gb\end{array}$ Appell and Hamel obtained the example of nonholonomic system with nonlinear constraints by means of the passage to the limit $\rho\to 0.$ However, as a result of this limiting process, the order of the system of differential equations is reduced, i.e., they become degenerate. In [35] the authors study the motion of the nondegenerate system for $\rho>0$ and $\rho<0.$ From these studies it follows that the motion of the nondegenerate system ($\rho\neq 0$) and degenerate system ($\rho\to 0$) differ essentially. Thus the Appell-Hamel example with nonlinear constraints is incorrect. The transpositional relations (76) become $\begin{array}[]{rl}\delta\dfrac{dx_{1}}{dt}-\dfrac{d\delta\,x_{1}}{dt}=&\dfrac{a}{b}\sin\,y_{1}\left(\dfrac{dy_{1}}{dt}\delta{y_{2}}-\dfrac{dy_{2}}{dt}\delta{y_{1}}\right),\vspace{0.30cm}\\\ \delta\dfrac{dx_{2}}{dt}-\dfrac{d\delta\,x_{2}}{dt}=&\dfrac{a}{b}\cos\,y_{1}\left((\dfrac{dy_{1}}{dt}\delta{y_{2}}-\dfrac{dy_{2}}{dt}\delta{y_{1}}\right),\vspace{0.30cm}\\\ \delta\dfrac{dx_{3}}{dt}-\dfrac{d\delta\,x_{3}}{dt}=&0,\quad\delta\dfrac{dy_{1}}{dt}-\dfrac{d\delta\,y_{1}}{dt}=0,\quad\delta\dfrac{dy_{2}}{dt}-\dfrac{d\delta\,y_{2}}{dt}=0.\end{array}$ Clearly these relations are independent of $\varrho,\,A,\,C$ and $m_{1}.$ ## 9\. Consequences of Theorems 2 and 3 and the proof of Corollary 7. We observe the following important aspects from Theorems 2 and 3. (I) Conjecture 8 is supported by the following facts. (a) As a general rule the constraints studied in classical mechanics are linear in the velocities. However Appell and Hamel in 1911, considered an artificial example with a constraint nonlinear in the velocity . As it follows from [35] (see example 4) this constraint does not exist in the Newtonian mechanics. (b) The idea developed for some authors (see for instance [4]) to construct a theory in Newtonian mechanics, by allowing that the field of force depends on the acceleration, i.e. function of $\ddot{\textbf{x}}$ as well as of the position $\textbf{x},$ velocity $\dot{\textbf{x}},$ and the time $t$ is inconsistent with one of the fundamental postulates of the Newtonian mechanics: when two forces act simultaneously on a particle the effect is the same as that of a single force equal to the resultant of both forces (for more details see [38] pages 11–12). Consequently the forces depending on the acceleration are not admissible in Newtonian dynamics. This does not preclude their appearance in electrodynamics, where this postulate does not hold. (c) Let $T$ be the kinetic energy of the constrained Lagrangian systems. We consider the generalization of the Newton law: the acceleration $($see [46, 37]$)$ $\dfrac{d}{dt}\dfrac{\partial T}{\partial\dot{\textbf{x}}}-\dfrac{\partial T}{\partial{\textbf{x}}}$ is equal to the force $\textbf{F}.$ Then in the differential equations (12) with $L_{0}=T$ we obtain that the field of force F generated by the constraints is $\textbf{F}=\left(W^{-1}_{1}\Omega_{1}\right)^{T}\dfrac{\partial{T}}{\partial{\dot{\textbf{x}}}}+W^{T}_{1}\dfrac{d}{dt}\lambda:=\textbf{F}_{1}+\textbf{F}_{2}.$ The field of force $\textbf{F}_{2}=W^{T}_{1}\dfrac{d}{dt}\lambda=\left(F_{21},\ldots,F_{2N}\right)$ is called the reaction force of the constraints. What is the meaning of the force (80) $\textbf{F}_{1}=\left(W^{-1}_{1}\Omega_{1}\right)^{T}\dfrac{\partial{T}}{\partial{\dot{\textbf{x}}}}\,?$ If the constraints are nonlinear in the velocity, then $\textbf{F}_{1}$ depends on $\ddot{\textbf{x}}.$ Consequently in Newtonian mechanics does not exist a such field of force. Therefore, the existence of nonlinear constraints in the velocity and the meaning of force $\textbf{F}_{1}$ must be sought outside of the Newtonian model. For example, for the Appel-Hamel constrained Lagrangian systems studied in the previous subsection we have that $\textbf{F}_{1}=\left(-\dfrac{a^{2}\dot{x}}{\dot{x}^{2}+\dot{y}^{2}}(\dot{x}\ddot{y}-\dot{y}\ddot{x}),\,\dfrac{a^{2}\dot{y}}{\dot{x}^{2}+\dot{y}^{2}}(\dot{x}\ddot{y}-\dot{y}\ddot{x}),\,0\right).$ For the generalized Voronets systems and locally for any nonholonomic constrained Lagrangian systems from the equations (18) we obtain that the field of force $\textbf{F}_{1}$ has the following components (81) $\begin{array}[]{rl}F_{k\,1}=&\displaystyle\sum_{\alpha=1}^{s_{1}}E_{k}L_{\alpha}\,\dfrac{\partial L_{0}}{\partial\dot{x}_{\alpha}}\\\ =&\displaystyle\sum_{j=1}^{N}\sum_{\alpha=1}^{s_{1}}\left(\dfrac{\partial^{2}L_{\alpha}}{\partial\dot{x}_{k}\dot{x}_{j}}\dfrac{\partial L_{0}}{\partial\dot{x}_{\alpha}}\ddot{x}_{j}+\dfrac{\partial^{2}L_{\alpha}}{\partial\dot{x}_{k}\partial{x}_{j}}\dfrac{\partial L_{0}}{\partial\dot{x}_{\alpha}}\dot{x}_{j}\right)+\displaystyle\sum_{\alpha=1}^{s_{1}}\dfrac{\partial^{2}L_{\alpha}}{\partial\dot{x}_{k}\partial t}\dfrac{\partial L_{0}}{\partial\dot{x}_{\alpha}},\quad\mbox{for}\quad k=1\ldots,N,\quad s_{1}=M.\end{array}$ consequently such field of force does not exist in Newtonian mechanics if the constraints are nonlinear in the velocity. (II) Equations (12) can be rewritten in the form (82) $G\ddot{\textbf{x}}+\textbf{f}(t,\textbf{x},\dot{\textbf{x}})=0,$ where $G=G(t,\textbf{x},\dot{\textbf{x}})$ is the matrix $\left(G_{j,k}\right)$ given by $G_{jk}=\dfrac{\partial^{2}L_{0}}{\partial\dot{x}_{j}\partial\dot{x}_{k}}-\displaystyle\sum_{n=1}^{N}\dfrac{\partial A_{nk}}{\partial\ddot{x}_{j}}\dfrac{\partial L_{0}}{\partial\dot{x}_{n}},\quad j,k=1,\ldots,N,$ and $\textbf{f}(t,\textbf{x},\dot{\textbf{x}})$ is a convenient vector function. If $\det G\neq 0$ then equation (82) can be solved with respect to $\ddot{\textbf{x}}.$ This implies, in particular that the motion of the mechanical system at time $\overline{t}\in[t_{0},\,t_{1}]$ is uniquely determined, i.e. the principle of determinacy (see for instance [2]) holds for the mechanical systems with equation of motion given in (12). In particular for the Appel-Hamel constrained Lagrangian systems we have (see formula (48)) that $\begin{array}[]{rl}\textbf{x}=&\left(x,\,y,\,z\right)^{T},\quad\textbf{f}=\left(\dfrac{a\dot{x}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}\dot{\lambda},\,\dfrac{a\dot{y}}{\sqrt{\dot{x}^{2}+\dot{y}^{2}}}\dot{\lambda},\,g-\dot{\lambda}\right)^{T}\vspace{0.20cm}\\\ G=&\left(\begin{array}[]{cccc}1+\dfrac{a^{2}\dot{y}^{2}}{\dot{x}^{2}+\dot{y}^{2}}&-\dfrac{a^{2}\dot{x}\dot{y}}{\dot{x}^{2}+\dot{y}^{2}}&0\\\ -\dfrac{a^{2}\dot{x}\dot{y}}{\dot{x}^{2}+\dot{y}^{2}}&1+\dfrac{a^{2}\dot{x}^{2}}{\dot{x}^{2}+\dot{y}^{2}}&0\\\ 0&0&1\end{array}\right),\quad|G|=1+a^{2}.\end{array}$ So in the Appel–Hamel system the principle of determinacy holds. (III) ###### Proof of Corollary 7. From Theorems 2 and 3 (see formulas (13) and (17)) and from all examples which we gave in the previous sections we see that are examples with zero transpositional relations and examples where all they are not zero. By contrasting the MVM with the Lagrangian mechanics we obtain that for the unconstrained Lagrangian systems the transpositional relations are always zero. Thus we have the proof of the corollary. ∎ ## Acknowledgements The first author is partially supported by a MINECO/FEDER grant number MTM2009-03437, an AGAUR grant number 2009SGR-410, ICREA Academia and FPZ–PEOPLE–2012–IRSES–316338 and 318999. The second author was partly supported by the Spanish Ministry of Education through projects TSI2007-65406-C03-01 “E-AEGIS” and Consolider CSD2007-00004 “ARES”. ## References * [1] V.M. Alekciev, V.M. Tixomirov and S.V. Fomin Optimal control, Ed. Nauka, 1979. * [2] V.I. Arnold, V.V Kozlov, and A.I. Neishtadt , Mathematical aspects of classical mechanics, in Dynamical systems III, Springer, Berlin 1998. * [3] P. Appell, Exemple de mouvement d’ un point assujettià une liaison exprimé par une relation non linéaire entre les composantes de la vitesse, Rend.Circ. Mat. Palermo 32 (1911), 48–50 * [4] G.D. Birkhoff, Dynamical systems, New York, 1927\. * [5] A.M. Bloch, Nonholonomic Mechanics and Control, Springer, Berlin 2003. * [6] S.A. Chaplygin, On the theory of motion of nonholonomic systems. Theorems on the reducing multiplier, Mat. Sb. 28 (1911), 303–314 (in Russian). * [7] N.G. Chetaev, Izv. Fiz.Mat. Obshch. Kazan 6 (1932), 68–71 (in Russian). * [8] N.G. Chetaev, On Gauss principle Izv. Fiz.Mat. Obshch. Kazan 6 (1941), 323–326 (in Russian). * [9] M. Favretti, Equivalence of dynamics for nonholonomic systems with transverse constraints, J. Dynam. Differential Equations 10 (1998), 511–536. * [10] N.M. Ferrers, Extension of Lagrange’s equations. Quart. J. of pure and applied mathematics 12 (1872), 1–5. * [11] F.R. Gantmacher, , Lektsi po analitisheskoi mechanic, Ed. Nauka, Moscow, 1966 (in Russian). * [12] X. Gracia, J. Marin–Solano, M. 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arxiv-papers
2014-02-24T13:59:41
2024-09-04T02:49:58.735576
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "J. Llibre, R. Ram\\'irez and N. Sadovskaia", "submitter": "Rafael Ramirez Dr.", "url": "https://arxiv.org/abs/1402.5827" }
1402.5835
# Polcovar: Software for Computing the Mean and Variance of Subgraph Counts in Random Graphs Jérôme Kunegis ###### Abstract The mean and variance of the number of appearances of a given subgraph $H$ in an Erdős–Rényi random graph over $n$ nodes are rational polynomials in $n$ [2]. We present a piece of software named Polcovar (from _polynomial_ and _covariance_) that computes the exact rational coefficients of these polynomials in function of $H$. ## 1 Introduction Large networks can be characterised by the number of times specific subgraphs appear in them. For instance, the number of triangles measures the clustering in a network and the number of wedges (i.e. 2-stars / 2-paths) characterises the inequality of the degree distribution. Even the number of vertices and edges in a graph can be characterised in this way as the number of times the complete graphs on one and two nodes appear as subgraphs. To assess whether a graph contains many or few subgraphs for its size, the subgraph count must be compared to the expected subgraph count in random graphs. To do this, we must know the distribution of subgraph counts. Under mild conditions which are valid for all examples given above, the subgraph count becomes normal in the large graph limit. Consequently, the distribution of subgraph counts is characterised by its mean and average. Expressions for the mean and variance of subgraph counts are given in [2], and are always rational polynomials in the number of nodes $n$ of the network. In this paper, we present Matlab software for computing the exact coefficients rational of these polynomials, as their expressions are usually too unwieldy to be computed by hand. ## 2 Subgraph Counts We consider a random graph $G$ on $n$ nodes distributed according to the Erdős–Rényi model with parameter $p$, i.e., each edge in $G$ exists with probability $p$ [1]. Let $H=(W,F)$ be a pattern, i.e. a small graph with $k=|W|$ vertices and $l=|F|$ edges, and $c_{H}$ the number of times this pattern appears as a subgraph of $G$. The mean of variance of $c_{H}$ are then given by the following expressions [2]: $\displaystyle\mathrm{E}[c_{H}]$ $\displaystyle=\frac{n^{\underline{k}}}{|\mathrm{Aut}(H)|}p^{-l}$ $\displaystyle\mathrm{Var}[c_{H}]$ $\displaystyle=\sum_{J}\left(\frac{n^{\underline{|V(J)|}}}{|\mathrm{Aut^{\prime}}(J)|}p^{-|E(J)|}\right)-\mathrm{E}[c_{H}]^{2}$ where $n^{\underline{i}}$ is the falling factorial111defined as $n^{\underline{i}}=n(n-1)\cdots(n-i+1)$, the sum is over all graphs $J$ containing two differently colored copies of $H$ (which might overlap), $\mathrm{Aut}(H)$ is the automorphism group of the graph $H$, and $\mathrm{Aut^{\prime}}(J)$ is the group of automorphisms of $J$ that preserve the edges of the underlying distinct copies of $H$. Although the normal limit for $n\rightarrow\infty$ is only true when the graph $H$ is _strictly balanced_ , the expressions for the mean and variance are always correct. Note also that they are true exactly for any $n$, not just in the large $n$ limit. Alternatively, the following expression can be used, which gives the same result. It is this expression that we implement in our code. $\displaystyle\mathrm{Var}[c_{H}]$ $\displaystyle=-\mathrm{E}[c_{H}]^{2}+\frac{1}{\mathrm{Aut}(H)^{2}}\sum_{i=0}^{k}\frac{n^{\underline{2k-i}}}{i!(k-i)!^{2}}\sum_{P,Q}p^{-m(P,Q)}$ where the inner sum is over all pairs of $k$-permutations, and $m(P,Q)$ denotes the number of edges in the overlay of H permuted by $P$ and $H$ permuted by $Q$ which share $i$ nodes. ## 3 Special Cases For specific small graphs $H$, we get the following exact results. ### 3.1 Node Count Taking $H$ as the graph with one node gives the number of nodes. Plugging this graph into the general form expression gives $\mathrm{E}[c_{H}]=n$ and $\mathrm{Var}[c_{H}]=0$. In other words, the number of nodes is always exactly $n$, as expected. ### 3.2 Edge Count Edges are always independent of each other and therefore the binomial approximation for the number of edges $m=c_{H}$ is exact. $\displaystyle\mathrm{E}[m]$ $\displaystyle=\frac{1}{p}{n\choose 2}=\frac{n(n-1)}{2p}$ $\displaystyle\mathrm{Var}[m]$ $\displaystyle=\frac{n(n-1)}{8}\text{ when $p=1/2$}$ These expressions can be derived both by the general form we gave above, and by the fact that the number of edges is a binomial distribution. ### 3.3 Triangle Count In a random $n$-graph with parameter $p=1/2$, the number of triangles $t$ has mean and variance given by $\displaystyle\mathrm{E}[t]$ $\displaystyle=\frac{1}{8}{n\choose 3}$ $\displaystyle\mathrm{Var}[t]$ $\displaystyle=\frac{1}{128}n^{4}-\frac{11}{384}n^{3}+\frac{1}{32}n^{2}-\frac{1}{96}n$ The expressions follow from the general form given below. ### 3.4 Wedge Count The number $s$ of wegdes (i.e., pairs of edges sharing one endpoint, also known as 2-stars or 2-paths) has the following distributions when $p=1/2$: $\displaystyle\mathrm{E}[s]$ $\displaystyle=\frac{n^{\underline{3}}}{8}$ $\displaystyle\mathrm{Var}[s]$ $\displaystyle=\frac{1}{8}n^{4}-\frac{19}{32}n^{3}+\frac{29}{32}n^{2}-\frac{7}{16}n$ The expressions follow from the general form given below. ### 3.5 Other Patterns For the number $q$ of squares we get: $\displaystyle\mathrm{E}[q]$ $\displaystyle=\frac{1}{128}n^{4}-\frac{3}{64}n^{3}+\frac{11}{128}n^{2}-\frac{3}{64}n$ $\displaystyle\mathrm{Var}[q]$ $\displaystyle=\frac{1}{512}n^{6}-\frac{5}{256}n^{5}+\frac{161}{2048}n^{4}-\frac{163}{1024}n^{3}+\frac{327}{2048}n^{2}-\frac{63}{1024}n$ For the number $c_{H}$ of 4-cliques we get: $\displaystyle\mathrm{E}[c_{H}]$ $\displaystyle=\frac{1}{1536}n^{4}-\frac{1}{256}n^{3}+\frac{11}{1536}n^{2}-\frac{1}{256}n$ $\displaystyle\mathrm{Var}[c_{H}]$ $\displaystyle=\frac{1}{32768}n^{6}-\frac{17}{98304}n^{5}+\frac{19}{49152}n^{4}-\frac{73}{98304}n^{3}+\frac{115}{98304}n^{2}-\frac{11}{16384}n$ ## 4 Proof Outline A complete proof can be found in [2]. We here outline the proof as a starting point. The total number of possible subgraphs $H$ in a graph with $n$ vertices is $\displaystyle\frac{n^{\underline{k}}}{|\mathrm{Aut}(H)|}.$ Define the random variables $x_{i}\in\\{0,1\\}$ to denote the presence or absence of each possible pattern $i$. Then, $\displaystyle c_{H}$ $\displaystyle=\sum_{i}x_{i}.$ The expected value of each $x_{i}$ is given by $\displaystyle\mathrm{E}[x_{i}]=p^{-l}.$ Thus, the expected value of $c_{H}$ can be expressed as $\displaystyle\mathrm{E}[c_{H}]=\mathrm{E}[\sum_{i}x_{i}]=\sum_{i}\mathrm{E}[x_{i}]=\frac{n^{\underline{k}}}{|\mathrm{Aut}(H)|}p^{-l}.$ To compute the variance we exploit the fact that the variance equals the expected value of the square minus the square of the expected value: $\displaystyle\mathrm{Var}[c_{H}]$ $\displaystyle=\mathrm{E}[c_{H}^{2}]-\mathrm{E}[c_{H}]^{2}$ $\displaystyle=\mathrm{E}[(\sum_{i}x_{i})(\sum_{i}x_{i})]-\mathrm{E}[c_{H}]^{2}$ $\displaystyle=\mathrm{E}[\sum_{ij}x_{i}x_{j}]-\mathrm{E}[c_{H}]^{2}$ $\displaystyle=\sum_{ij}\mathrm{E}[x_{i}x_{j}]-\mathrm{E}[c_{H}]^{2}$ Then, each possible pair corresponds to one possible pattern graph $J$, of which the possible number is $\frac{n^{\underline{|V(J)|}}}{|\mathrm{Aut^{\prime}}(J)|}$, and each exists with independently with probability $p^{-|E(J)|}$. From this follows the given expression. ## 5 Extension to Covariances The method can be extended to covariances between the count statistics of different patterns. As an example: $\displaystyle\mathrm{Cov}[c_{\mathrm{edge}},c_{\mathrm{triangle}}]$ $\displaystyle=\frac{1}{32}n^{3}-\frac{3}{32}n^{2}+\frac{1}{16}n$ ## 6 The Software Our code is written in the programming language Matlab, and contains two entry points, the function polcovar_mu() that computes the mean and the function polcovar_sigma() that computes the variance or covariance. r = polcovar_mu(H); r = polcovar_sigma(H1, H2); The input graphs H must be given as $k\times k$ adjacency matrices. The function polcovar_sigma() expects two graphs H1 and H2 and returns the covariance of their subgraph counts. To compute the variance, pass the same adjacency matrix as both arguments. All input matrices must be symmetric 0/1 matrices with zero diagonals. All computations are valid for Erdős–Rényi graphs with $p=1/2$. The return values are rational polynomials in form of $2\times(m+1)$ matrices, where $m$ is the degree, coded in the following way: $\displaystyle r$ $\displaystyle=\left[\begin{array}[]{ccccc}a_{m}&a_{m-1}&\cdots&a_{1}&a_{0}\\\ b_{m}&b_{m-1}&\cdots&b_{1}&b_{0}\end{array}\right]$ representing the following rational polynomial in $n$: $\displaystyle P_{r}(n)$ $\displaystyle=\sum_{i=0}^{m}\frac{a_{i}}{b_{i}}n^{i}$ All fractions $a_{i}/b_{i}$ are returned in simplified form. ### 6.1 Example The following example uses Polcovar to compute the mean and standard deviation of the number of triangles in a random graph with 1,000,000 nodes. % Adjacency matrix of a triangle H = [ 0 1 1; 1 0 1; 1 1 0] % Compute polynomials r_mu = polcovar_mu(H) r_sigma = polcovar_sigma(H, H) % Evaluate polynomials for a graph with 1,000,000 nodes n = 1000000 mu = polyval(r_mu(1,:) ./ r_mu(2,:), n) sigma = polyval(r_sigma(1,:) ./ r_sigma(2,:), n) sigma_stddev = sqrt(sigma) This will compute that a random graph with 1,000,000 nodes can be expected to contain $2.0833\times 10^{16}\pm 8.8388\times 10^{10}$ triangles. ## Acknowledgements We thank Thomas Sauerwald from the University of Cambridge. ## References * [1] Paul Erdős and Alfréd Rényi. On random graphs I. Publ. Math. Debrecen, 6:290–297, 1959. * [2] Andrzej Ruciński. When are small subgraphs of a random graph normally distributed? Prob. Th. Rel. Fields, 78:1–10, 1988.
arxiv-papers
2014-02-24T14:26:08
2024-09-04T02:49:58.746714
{ "license": "Creative Commons - Attribution Share-Alike - https://creativecommons.org/licenses/by-sa/4.0/", "authors": "J\\'er\\^ome Kunegis", "submitter": "J\\'er\\^ome Kunegis", "url": "https://arxiv.org/abs/1402.5835" }
1402.5868
# A Moments’ Analysis of Quasi-Exactly Solvable Systems: A New Perspective on the Sextic Anharmonic and Bender-Dunne Potentials Carlos R. Handy1, Daniel Vrinceanu1, and Rahul Gupta2 1Department of Physics, Texas Southern University, Houston, Texas 77004; 2Lawrence E. Elkins High School, Missouri City, Texas 77459 [email protected] ###### Abstract There continues to be great interest in understanding quasi-exactly solvable (QES) systems. In one dimension, QES states assume the form $\Psi(x)=x^{\gamma}P_{d}(x){\cal A}(x)$, where ${\cal A}(x)>0$ is known in closed form, and $P_{d}(x)$ is a polynomial to be determined. That is ${{\Psi(x)}\over{x^{\gamma}{\cal A}(x)}}=\sum_{n=0}^{\infty}a_{n}x^{n}$ truncates. The extension of this “truncation” procedure to non-QES states corresponds to the Hill determinant method, which is unstable when the reference function assumes the physical asymptotic form (i.e. $x^{\gamma}{\cal A}(x)$). Recently, Handy and Vrinceanu introduced the Orthogonal Polynomial Projection Quantization (OPPQ) method which has non of these problems, allowing for a unified analysis of QES and non-QES states ( 2013 J. Phys. A: Math. Theor. 46 135202; 2013 J. Phys. B: 46 115002). OPPQ uses a non- orthogonal basis constructed from the orthonormal polynomials of ${\cal A}$: $\Psi(x)=\sum_{j=0}^{\infty}\Omega_{j}{\cal P}^{(j)}(x){\cal A}(x)$, where $\langle{\cal P}^{(j_{1})}|{\cal A}|{\cal P}^{(j_{2})}\rangle=\delta_{j_{1},j_{2}}$, and $\Omega_{j}=\langle{\cal P}^{(j)}|\Psi\rangle$. For systems admitting a moment equation representation, such as those considered here, these coefficients can be readily determined. The OPPQ quantization condition, $\Omega_{j}=0$, is exact for QES states (provided $j\geq d+1$); and is computationally stable, and exponentially convergent, for non-QES states. OPPQ provides an alternate explanation to the Bender-Dunne (BD) orthogonal polynomial formalism for identifying QES states: they correlate with an anomalous kink behavior in the order of the finite difference moment equation associated with the $\Phi=x^{\gamma}{\cal A}(x)\Psi(x)$ Bessis-representation (i.e. a spontaneous change in the degrees of freedom of the system). This was first noted by Handy and Bessis in their implementation of the Eigenvalue Moment Method (EMM), the first application of semidefinite programming analysis to quantum operators (1985 Phys. Rev. Lett. 55, 931 ). Additional properties ensue, such as $\Phi_{non- QES}(x)=\partial_{x}^{d+2}\Upsilon(x)$, for states of the same symmetry as the QES states. We study the above with respects to two sextic potentials of the type $V(x)=gx^{6}+bx^{4}+mx^{2}+{\beta\over{x^{2}}}$. ###### pacs: 03.65.Ge, 02.30.Hq, 03.65.Fd ††: J. Phys. A: Math. Gen. ## 1 Introduction ### 1.1 Objectives and Overview Inadequacies of the Hill determinant representation The study of quasi-exactly solvable (QES) systems has continued to attract much interest because of its relevance to physical systems and extensions to quantum supersymmetry [1]. These correspond to Hamiltonians for which a subset of the discrete spectrum, and corresponding wavefunctions, can be determined in closed form. Their systematic study was initiated by Turbiner [2-5]. In one space dimension, the typical QES state corresponds to a wavefunction of the form $\Psi(x)=P_{d}(x){\cal A}(x)$, where the positive asymptotic configuration ${\cal A}(x)>0$ is known in closed form, and $P_{d}(x)$ is some polynomial of degree ‘$d$’ , to be determined. In other words, the ratio ${{\Psi(x)}\over{\cal A}(x)}$ truncates. This truncation philosophy does not naturally extend, as given, to the non-QES states, for reasons given below. This is the primary objective of this work: to develop a unified theoretical and computational framework that can address the QES and non-QES states. Additionally, our methods give a different interpretation for the existence of QES states, from a moments’ representation perspective. One may regard the QES truncation philosophy as a motivating factor for the general Hill determinant quantization philosophy [6] which, in one dimension, represents an arbitrary discrete state as $\Psi(x)=x^{\gamma}A(x){\cal R}(x)$, where $\gamma$ is the (problem dependent) indicial exponent, $A(x)=\sum_{j=0}^{\infty}a_{j}x^{j}$ is an analytic factor, and ${\cal R}(x)$ is some specified reference function, such as the Gaussian, $e^{-x^{2}}$. One can relate the analytic properties of the wavefunction to the $a_{j}$’s, which also acquire an energy dependence. The Hill determinant quantization prescription determines those (approximate) energies leading to an effective truncation of the power series expansion, $a_{N}(E)=0$, etc. In the limit $N\rightarrow\infty$, these energy approximants (for the non-QES states) usually converge to the true physical values, for the Gaussian reference function. The major drawback of this approach, as is well known, is that if the reference function is chosen to mimic the true asymptotic form of the wavefunction, it leads to instabilities and erroneous energy convergence [7]. For the sextic anharmonic oscillator potential, $V_{sa}(x)=gx^{6}+bx^{4}+mx^{2}$, and the Bender Dunne [8] sextic potential, $V_{BD}(x)=x^{6}+mx^{2}+{b\over{x^{2}}}$, the physical reference functions are ${\cal R}_{sa}(x)=e^{-{{\sqrt{g}}\over 4}\big{(}x^{4}+{b\over g}x^{2}\big{)}}$ and ${\cal R}_{BD}(x)=e^{-{{x^{4}}\over 4}}$, respectively. However, the Hill determinant approach proves unstable in either case, as suggested by the study by Tate and Turbiner [9]. Thus, both QES and non-QES states can be approximated, if a Gaussian type reference function is used. If the true asymptotic form for the physical states could be used as reference functions, then the same quantization approach would generate both the exact QES states and approximate the non-QES states. However, this is inherently impossible within the Hill determinant “truncation” philosophy. Nevertheless, the methods introduced here can do precisely this. Of relevance to the present formalism is the fact that the Hill determinant method can also be implemented in Fourier space, ${\hat{\Psi}}(k)=k^{\gamma}A(k){\cal R}(k)$. It is referred to as the Multiscale Reference Function (MRF) method, originally proposed by Tymczak, Japaridze, Handy, and Wang [10]. The selection of an appropriate, positive, reference function is somewhat limited, with the only viable choice usually being the Gaussian, ${\cal R}(k)=e^{-k^{2}}$. However, even for this case, the MRF method has better (faster and more monotonic) convergence properties than the configuration space Hill determinant approach. A comparison, for the sextic anharmonic oscillator, is given in Ref. [11]. The MRF method is only implementable if the Schrodinger equation admits a moment equation representation. If so, then the power moments of the (discrete states), $\mu(p)=\int dx\ x^{p}\Psi(x)$, satisfy a linear, recursive relation that involves the energy as a variable parameter. These are then used to generate the power series coefficients of $A(k)$. The relevance of the MRF method to the present analysis is that what is proposed here can be considered as a merging of the Hill and the MRF into a new and much more powerful representation particularly relevant for QES systems, as well as exactly solvable systems (i.e. for which all discrete states are determinable in closed form), which will be discussed in a subsequent work. Orthogonal Polynomial Projection Quantization Recently, Handy and Vrinceanu [11] proposed a new, multidimensional, quantization formalism for systems admitting a moment equation representation. It is referred to as the Orthogonal Polynomial Projection Quantization (OPPQ) method. A motivatng factor was simply to improve upon the known limitations of the Hill determinant analysis. These limitations not only include the aforementioned instabilities when the reference function mimics the physical asymptotic configuration (${\cal R}(x)\rightarrow{\cal A}(x)$), but also the requirement that the reference function be analytic (of importance to the Bender Dunne potential). Neither of these is a limitation within OPPQ. The implementation of OPPQ requires working within a non-orthogonal basis, $\\{{\cal P}^{(j)}(x){\cal R}(x)|j\geq 0\\}$, formed from the orthonormal polynomials of the positive reference function, ${\cal R}(x)$: $\langle{\cal P}^{(j_{1})}|{\cal R}|{\cal P}^{(j_{2})}\rangle=\delta_{j_{1},j_{2}}$. These are used to generate the representation: $\Psi(x)=\sum_{j=0}^{\infty}\Omega_{j}{\cal P}^{(j)}(x){\cal R}(x)$. The expansion coefficients project out exactly, $\Omega_{j}=\langle{\cal P}^{(j)}|\Psi\rangle$. They correspond to finite sums of the power moments of $\Psi$. One can easily argue that for a broad class of reference functions, including those asymptotic to the discrete physical states, we must have $\lim_{n\rightarrow\infty}\Omega_{n}=0$. Assuming the existence of a moment equation (of effective order $1+m_{s}$), the $\Omega_{j}$’s become linearly dependent on the first $1+m_{s}$ power moments through known, energy dependent, coefficients. Therefore, one can define the OPPQ quantization procedure as taking $\Omega_{N+\ell}=0$, for $\ell=0,\ldots,m_{s}$. This yields an energy dependent determinantal equation, $D_{N}(E)=0$, whose roots exponentially converge to the physical states in the $N\rightarrow\infty$ limit. If the asymptotic configuration of the physical states is known in closed form, $x^{\gamma}{\cal A}(x)>0$ (i.e. if $\gamma\neq integer$, then $x\rightarrow 0^{+}$ and $x\rightarrow\infty$ are necessary asymptotic limits), then one can take it to be the reference function: ${\cal R}(x)=x^{\gamma}{\cal A}(x)$. In this case, a subset of the OPPQ determinant’s roots are the exact QES energies, for $N$ greater than a certain threshold. Specifically, for one dimensional systems, since a QES state must assume the form $\Psi_{QES}(x)=P_{d}(x)x^{\gamma}{\cal A}(x)$, and $P_{d}(x)=\sum_{j=0}^{d}c_{j}{\cal P}^{(j)}(x)$, then $\Omega_{n}=\langle{\cal P}^{(n)}|\Psi_{QES}\rangle=0$, for $n\geq d+1$. The QES energies must be the exact roots, $D_{N}(E_{QES})=0$ for $N\geq d+1$, where each QES state will have its own “$d$”. The non-QES states are approximated by the other roots of the OPPQ determinant; and these approximations converge exponentially fast to the physical values. Although this work is limited to one dimensional systems, the entire OPPQ formalism can be, and has been, applied in two dimensions. The original work by Handy and Vrinceanu investigated several two dimensional quantum systems including a particular pseudo-hermitian model. A subsequent work applied the OPPQ formalism to the challenging two dimensional infinite dipole problem (two oppositely charged line charges) [12] confirming a large basis Rayleigh Ritz analysis by Amore and Fernandez [13]. In summary, the Hill determinant truncation philosophy (trivially) works for QES states, but is unstable, or ineffective for the non-QES states. The OPPQ analysis was developed independently of QES considerations, but turns out to be the ideal, unifying quantization framework for both QES and non-QES, as presented here. Obtaining the QES (Bender Dunne), Energy, Polynomials Within a configuration space Hill representation, ${{\Psi(x)}\over{x^{\gamma}{\cal A}(x)}}=\sum_{n}\ a_{n}(E)x^{n}$, if the potential function parameters satisfy a particular constraint, then the $a_{n}$’s will exhibit the defining truncation structure, $a_{n}(E)=0$, for $n\geq n_{*}+1$, where $d\equiv n_{*}$; and for which $a_{n_{*}+1}(E)$ is a polynomial of degree $n_{*}+1$ whose roots correspond to all the QES states for that system. This polynomial is contained in the OPPQ determinant expression; although its forms is not as immediately discernable as it is in the Hill representation for the $a_{n}$’s. Whereas the Hill representation is inadequate for determining the non-QES states, the OPPQ-$\Psi$ analysis is able to generate both QES and non-QES states in a unified manner. We would like a moments’ representation where the $a_{n_{*}+1}(E)$ polynomial is also immediately transparent, and both QES and non-QES states can be generated in a unified manner through OPPQ. This is possible within the Bessis representation defined by $\Phi(x)=x^{\gamma}{\cal A}(x)\Psi(x)$. The OPPQ-$\Phi$ analysis now requires working with reference functions of the type ${\cal R}(x)=x^{2\gamma}{\cal A}^{2}(x)$, and their orthonormal polynomials. Note that contratry to the Hill representation, we are not stripping the asymptotic form(s), but further enhancing the new representation by these expressions. Within this representation, the corresponding moments, $\nu(p)=\int dx\ x^{p}\Phi(x)$, have a moment equation that: (i) makes the identification of the $a_{n_{*}+1}(E)$ polynomial very transparent; and (ii) exhibits a structure that undelies the real reason for the anomalous behavior of the Bender-Dunne (energy dependent) orthogonal polynomials. Within the Hill representation, the expansion coefficients, $a_{n}(E)$, satisfy a three term recursion relation, becoming polynomials in the energy variable. This recursion relation remains of first order (i.e. $a_{n}$ generates $a_{n+1}$, etc.) for all ‘$n$’, regardless of the energy (QES or non-QES). One can transform the $a_{n}$-recursion relation so that it resembles the monic form of the usual three term relation for orthogonal polynomials. Thus, $a_{n}(E)$, an $n$-th degree polynomial, transforms into an $n$-th degree polynomial, $P_{bd}^{(n)}(E)\propto a_{n}(E)$, which satisfies the manifestly monic three term relation $P_{bd}^{(n)}(E)=(E-\alpha_{n})P_{bd}^{(n-1)}(E)-\gamma_{n-1}P_{bd}^{(n-2)}(E)$. What Bender and Dunne did was to reinterpret the existence of QES states, within the $P_{bd}$-representation, as corresponding to a breakdown of this recursion relation, with $\gamma_{n_{*}+1}=0$. This relation implies that these monic orthogonal polynomials have a signed weight, $w(E)$, and relative to that weight the quantizing polynomial has zero norm: $\langle P_{bd}^{(n_{*}+1)}|w|P_{bd}^{(n_{*}+1)}\rangle=0$. From the moments’ perspective, the Bender and Dunne interpretation is not necessary because the form of the moment equation for the $\nu$’s reveals the true anomaly. For the non-QES states of different symmetry to the QES states (i.e. the sextic anharmonic oscillator case) , the $\nu$-moment equation is also a three term, first order, recursion relation. However, for the QES states, the moment equation is only of first order for the first $n_{*}+1$ moments, $\\{\nu(p)|0\leq p\leq n_{*}\\}$. All the other moments satisfy a finite difference equation of second order. Within the context of the moment equation, the $\nu(n_{*}+1)$ moment decouples from the lower order moments; although, it can be generated from the lower order moments through a relation independent of the moment equation. For the QES states within the same symmetry class as the QES states, the disruption is less severe since the first $n_{*}+1$ moments must be zero (i.e. $\nu(p)=0,\ \leq p\leq n_{*}$); whereas all the higher order moments define a first order finite difference equation. This kink in the order of the underlying moment equation for QES states is the real reason for the Bender-Dunne orthogonal polynomial anomaly. For the QES states, the $\\{\nu(p)|0\leq p\leq n_{*}\\}$ moments are polynomials in the energy, $E$, of degree corresponding to the moment-order (‘$p$’). The BD polynomial $P_{bd}^{(n+1)}(E)$ corresponds to the linear sum of the two moments $\\{\nu(n-1),\nu(n)\\}$, involving an energy dependent coefficient that is a monomial in the energy (consistent with the monic form for orthogonal polynomials). Because of the kink in the $\nu$-moment equation, from the moments’ perspective, the $P_{bd}^{(n+1)}(E)$ polynomials have no natural extension beyond $n\geq n_{*}$. For the non-QES states, for symmetry different than the QES states, the corresponding monic orthogonal polynomials exist (i.e. satisfy the monic orthogonal polynomial three term structure). In summary, we do not have to look for kinks in the recursive structure of the Bender Dunner orthogonal polynomial representation, it is easier to look for kinks in the nature of the moment equation within the Bessis representation. The latter would seem to be an easier analysis than the former, particularly for multidimensional systems admiting a moment equation representation. The Bessis Representation: Relevance of the Eigenvalue Moment Method The existence of QES states as due to a nonuniform moment order structure was known to Handy and Bessis (HB) in the context of their development of the Eigenvalue Moment Method (EMM) [14-16], the first application of semidefinite programming (SDP) [17-18] in quantum physics. We ouline the relevant history since it impacts this work, and underscores the importance of moment representations for quantizing physical systems. In 1984 Handy [19] discovered that combining the moment equation representation with a particular representation of the moment problem theorems in mathematics (i.e. the nesting property of the Pade approximants of Stieltjes measures) [20], yielded converging lower and upper bounds to the (one dimensional) bosonic ground state energy, or any other quantum state associated with a known nodal structure (i.e. the first excited state of parity invariant systems). Handy and Bessis (HB) transformed this into a more general, multidimensional, formulation through the use of the moment problem Hankel Hadamard (HH) determinantal inequality constraints, $Det({\cal H}_{n})>0$, where ${\cal H}_{i,j}=\mu(i+j),0\leq i,j\leq n$, is the Hankel matrix [21]. Through the underlying moment equation of order $1+m_{s}$, these moments depend linearly on the $1+m_{s}$ initialization moments (i.e. referred to as the missing moments by HB), and nonlinearly on the energy parameter. Unlike typical SDP problems that seek to optimize some objective function, the EMM/SDP analysis requires that for each energy parameter value, $E$, one determine the existence or nonexistence of the nonlinear convex solution set to the HH inequalities (once a suitable normalization condition is chosen, reducing the missing moment domain to $m_{s}$ dimensions), $Det\Big{(}{\cal H}_{n}({\cal U}_{E}^{(N)})\Big{)}>0$, $n\leq N$, $N\rightarrow\infty$. The set of admissible energy values define an interval $[E_{L}^{(N)},E_{U}^{(N)}]$, such that if $E_{L}^{(N)}\leq E\leq E_{U}^{(N)}$, then ${\cal U}_{E}^{(N)}\neq\emptyset$. As the dimension of the Hankel matrix increases, $N\rightarrow\infty$, we have $E_{U}^{(N)}-E_{L}^{(N)}\rightarrow 0$, exponentially with ‘$N$’, in most cases. This bounding procedure was particularly effective for strongly coupled, singular perturbation type systems for which conventional computational methods could be unreliable. The EMM analysis, as originally formulated [14], is a nonlinear optimization problem. There were no efficient SDP algorithms available in 1985, thus limiting the class of problems HB could investigate. The hardest problem amenable to a very basic computational strategy was the sextic anharmonic oscillator. Motivated by this, Bessis realized that by multiplying the wavefunction by its asymptotic form the computational complexity of the sextic anharmonic oscillator problem became equivalent to that for the harmonic oscillator problem. This revealed the anomalous kink behavior of the $\nu$-moment equation for the QES states; however the focus of that first work was on bounding the non-QES energies for the ground and first excited states. In subsequent works [15,16] Handy was able to transform the nonlinear version of EMM into an equivalent linear programming based formulation which allowed for its implementation to a broad range of multidimensional systems, including the notoriously difficult quadratic Zeeman effect for superstrong magnetic fields [15,16]. The relevance of moment representations for quantizing singular perturbation-strongly coupled systems had been previously noted by Handy [22], in the context of finding a more rigorous alternative to lattice high temperature expansions in field theory. This early work introduced the scaling transform, whose perturbative structure in the inverse (lattice) scale depends on the power moments. The relevance of this formalism to incorporating wavelets into quantum mechanics was demonstrated in a subsequent work [23]. Coincidentally, one may characterize EMM as an affine map invariant variational procedure, since it optimizes within the affine map invariant space of polynomials. Indeed, the EMM bounds to the quadratic Zeeman effect were highly correlated with the ground state binding energy estimates of an order dependent, conformal, analysis by LeGuillou and Zinn-Justin [24]; and similarly for the three dimensional quantum dot [25]. Beyond EMM, advances in SDP code development have progressed rapidly since the 1990s with the impetus coming from combinatorics [26] and reduced density matrix theory in quantum chemistry [27-28]. A major focus of EMM analysis is to define new nonnegativity representations for quantum systems. For arbitrary one dimensional systems with real potentials, the probability density satisfies a third order, linear, differential equation, enabling application of EMM bounding methods for all states, depending on the nature of the potential [29]. That is, knowledge of the nodes is not required. The same is true for complex, one dimensional, potentials, because the Herglotz analytic continuation of $|\Psi(x)|^{2}$ satisfies a fourth order linear differential equation. One can then use EMM to bound the complex quantum parameters. This was used to support the conjecture on the reality of the discrete spectrum for the pseudo hermitian potential $V(x)=ix^{3}$ (i.e. the Bessis conjecture) [30], as previously suggested by Bender and Boetcher [31], and subsequently proved by Dorey et al [32]. It was also used to computationally predict the correct onset of PT-symmetry breaking for the pseudo-hermitian potential, $V(x)=ix^{3}+iax$ [33]. Other applications include bounding Regge pole parameters relevant to atomic scattering [34,35]. Summary of problems and representations to be analyzed The following sections will examine the sextic anharmonic oscillator potential, $V_{sa}(x)=gx^{6}+bx^{4}+mx^{2}$, and the BD sextic potential, $V_{BD}(x)=x^{6}+mx^{2}+{b\over{x^{2}}}$, both within the $\Psi$ representation and the Bessis $\Phi$ representation. In each we show how OPPQ yields both the exact QES states and converging approximants to the non-QES states. We also show how the $\nu$-moment equation within the Bessis representation recovers the BD-polynomials and their recursion relation. It is to be re-emphasized that within the Bessis representation, the QES states can be generated two ways:(1) as the roots of an energy polynomial defined by the $\nu$-moments (i.e. effectively the BD energy polynomials); (2) as the exact roots of the OPPQ quantization determinant, for which the remaining roots approximate the non-QES states. The following discussion pertains to both potentials, but we limit our remarks to the sextic anharmonic oscillator case. The sextic anharmonic oscillator problem admits non-QES states and QES states, for particular potential function parameter values. Within each parity class, there will be QES states. There will be non-QES states of the same parity as the QES states; whereas all states of the opposite parity will be non-QES states. These distinctions may complicate our notation. These distinctions do not arise in the BD sextic potential case because it is defined on the nonnegative real axis. The sextic anharmonic oscillator Schrodinger equation, in the $\Psi$ representation is $-\partial_{x}^{2}\Psi(x)+(gx^{6}+bx^{4}+mx^{2})\Psi(x)=E\Psi(x).$ (1) It admits even and odd parity states as indexed by $\sigma=0,1$, respectively. The QES states are represented by $\Psi(x)=P_{d}(x){\cal A}(x)$, for $d\equiv n_{*}\geq 0$. Their corresponding parity will be denoted by $\sigma_{*}=0\ or\ 1$. The asterisk notation is exclusively used to identify the QES states and relations. The potential function parameter constraint admitting QES states corresponds to $g^{3\over 2}(16n_{*}+12+8\sigma_{*})+4mg-b^{2}=0.$ (2) This condition can only be explicitly derived within two representations; either from the Hill representation truncation analysis, or the $\nu$-moment equation relation within the Bessis function representation. It can be surmized within the $\Psi$-moment equation representation from a JWKB analysis and then tested through OPPQ. All of these are implemented in the following sections. We will not give explicit algebraic forms for the QES energies, etc., because the relations to be given are transparent and readily implementable by the interested reader. Instead, we focus on the numerical consistency of our results with the underlying OPPQ theory. We do not focus on wavefunction reconstruction because this is also straightforward. Finally, we have streamlined the OPPQ formalism from that originally presented by Handy and Vrinceanu [11-12]. The present formalism emphasizes the orthonormal polynomials of the physical reference function. There are several types of polynomials considered here. First is the polynomial factor, $P_{d}(x)$, defining the QES state. Second are the orthonormal polynomials, ${\cal P}^{(j)}(x)$ corresponding to the positive reference function, ${\cal A}(x)>0$. Third are the BD polynomials in the energy space. Fouth will be the $\nu$-moments which correspond to polynomials in the energy (and whose superposition defines the BD polynomials). The monic form of the OPPQ orthonormal polynomials, ${\cal P}^{(j)}(x)$, will be denoted by ${\tilde{\cal P}}^{(j)}(x)$. ## 2 Preliminaries ### 2.1 The $\Psi$-moment equation Before continuing with the OPPQ generalities, we note that Eq.(1) can be transformed into a moment equation for the discrete states. Define $\mu(p)\equiv\int dxx^{p}\Psi(x)$ where we assume $\Psi(x)$ to be implicitly a bound state, asymptotically vanishing at infinity. Multiplying both sides of Eq.(1) by $x^{p}$ and performing the necessary integration by parts gives the moment equation: $\displaystyle g\mu(p+6)=-b\mu(p+4)-m\mu(p+2)+E\mu(p)+p(p-1)\mu(p-2),$ (3) $p\geq 0$. The even and odd states separate, $\Psi_{\sigma}(x)$, $\sigma=0,1$, respectively. Although not necessary, we prefer to explicitly work within the even and odd representations, in order to reduce the dimensionality of the OPPQ determinant matrix. We denote the power moments for the even or odd states by $\displaystyle u_{\sigma}(\rho)$ $\displaystyle=\mu(2\rho+\sigma)=\int_{-\infty}^{+\infty}dxx^{2\rho+\sigma}\Psi_{\sigma}(x)$ (4) $\displaystyle=\int_{0}^{\infty}d\xi\xi^{\rho}\psi_{\sigma}(\xi),\ where\ \psi_{\sigma}(\xi)={(\sqrt{\xi})^{\sigma-1}}\Psi_{\sigma}(\sqrt{\xi})\ ,$ and $\xi\equiv x^{2}$, $\sigma=0\ or\ 1$. We note that for the ground and first excited state the $\psi_{\sigma}(\xi)$ configuration is nonnegative. The corresponding $u_{\sigma}(\rho)$-moment equation becomes $\displaystyle gu_{\sigma}(\rho+3)=-bu_{\sigma}(\rho+2)-mu_{\sigma}(\rho+1)+Eu_{\sigma}(\rho)+2\rho(2(\rho+\sigma)-1))u_{\sigma}(\rho-1).$ The effective order of this homogeneous, linear, moment equation is $1+m_{s}$ where $m_{s}=2$, since the moments $\\{u_{\sigma}(0),u_{\sigma}(1),u_{\sigma}(2)\\}$ must be specified, in addition to the energy, before all the other moments can be generated. Imposing an $L^{1}$ normalizaiton condition (i.e. $\sum_{\ell=0}^{m_{s}}u_{\sigma}(\ell)=1$, within EMM) reduces these missing moment, or initialization moment, variables, to two. We can represent the moment-missing moment dependence by the relations $u_{\sigma}(\rho)=\sum_{\ell=0}^{m_{s}}M_{E,\sigma}(\rho,\ell)u_{\sigma}(\ell),$ (6) where $M_{E,\sigma}(\rho,\ell)$ are known energy dependent polynomials (or more generally, rational fraction polynomials in $E$), satisfying the corresponding moment equation subject to the initialization conditions, $M_{E,\sigma}(\ell_{1},\ell_{2})=\delta_{\ell_{1},\ell_{2}}$. ### 2.2 Orthogonal Polynomial Projection Quantization We review the Orthogonal Polynomial Projection Quantization method in general, and then apply it to QES systems. Suppose ${\cal A}(x)>0$ is a positive, bounded, configuration admitting an infinite set of orthonormal polynomials (our bra-ket notation will omit explicit reference to the underlying weight, for simplicity) $\displaystyle\langle{\cal P}^{(j_{1})}|{\cal P}^{(j_{2}}\rangle\equiv\int dx{\cal P}^{(j_{1})}(x){\cal P}^{(j_{2})}(x){\cal A}(x)=\delta_{j_{1},j_{2}},$ $\displaystyle{\cal P}^{(j)}(x)=\sum_{i=0}^{j}\Xi_{i}^{(j)}x^{i},\ where\ \Xi_{j}^{(j)}\neq 0.$ (7) Assume that the quantum system under consideration admits a moment equation, represented as $\mu(p)=\sum_{\ell=0}^{m_{s}}M_{E}(p,\ell)\ \mu(\ell),p\geq 0.$ (8) Consider expanding the desired discrete state in terms of the orthonormal polynomial basis: $\displaystyle\Psi(x)=\sum_{j=0}^{\infty}\Omega_{j}{\cal P}^{(j)}(x)\ {\cal A}(x).$ (9) One can then project out the expansion coefficients exactly: $\displaystyle\Omega_{j}$ $\displaystyle=$ $\displaystyle\int dx\ {\cal P}^{(j)}(x)\Psi(x),$ (10) $\displaystyle\Omega_{j}$ $\displaystyle=$ $\displaystyle\sum_{i=0}^{j}\Xi^{(j)}_{i}\mu(i),$ (11) $\displaystyle\Omega_{j}$ $\displaystyle=$ $\displaystyle\sum_{\ell=0}^{m_{s}}\Big{(}\sum_{i=0}^{j}\Xi^{(j)}_{i}M_{E}(i,\ell)\Big{)}\mu(\ell).$ (12) Now consider the positive (and assumed finite) integral expression $\int dx{{\Psi^{2}(x)}\over{{\cal A}(x)}}<\infty$. We obtain $\int dx{{\Psi^{2}(x)}\over{{\cal A}(x)}}=\sum_{j=0}^{\infty}\Omega_{j}^{2}<\infty,$ (13) resulting in $\lim_{j\rightarrow\infty}\Omega_{j}=0.$ (14) The integral condition in Eq.(13) can be satisfied if ${\cal A}$ decays slower than $\Psi^{2}(x)$ allowing the ratio to be integrable. A rougher statement suggests that if ${\cal A}$ decreases as, or slower, than $\Psi$ then the above is satisfied. Note that we do not want ${\cal A}$ decreasing so fast that even the unphysical solutions have finite integrals. In this case, the OPPQ quantization conditions will not work. These considerations are also essential within the EMM analysis. The asymptotic behavior of Eq.(14) suggests that we impose these conditions, at finite order, on appropriate, successive, projection expressions as represented in Eq.(12). In particular: $\displaystyle\sum_{\ell=0}^{m_{s}}\Big{(}\sum_{i=0}^{j}\Xi^{(j)}_{i}M_{E}(i,\ell)\Big{)}\mu(\ell)=0,$ (15) for $j=N,N+1,N+2,\ldots,N+m_{s}$, defining an $(m_{s}+1)\times(m_{s}+1)$ determinantal condition: $\displaystyle D_{N}(E)=Det({\cal M}_{\eta,\ell}^{(N)}(E))=0,$ (16) where ${\cal M}_{\eta,\ell}^{(N)}(E)=\sum_{i=0}^{N+\eta}\Xi^{(N+\eta)}_{i}M_{E}(i,\ell)$. We note that the degree of $D_{N}(E)$, generally a rational polynomial of the energy , grows as $N\rightarrow\infty$, allowing for the generation of converging approximants to all the discrete states. The energy roots to Eq.(16) generally converge, exponentially fast to the physical energies. The closer ${\cal A}$ describes the asymptotic behavior of the desired physical state, the faster the convergence. We emphasize that Eq.(16) is valid only if there is no symmetry related condition requiring the any of the missing moments be zero. For parity invariant systems, the above formalism should be implemented within the moment representation for that symmetry class (i.e. Eq.(5)). Several important features distinguish OPPQ with respect to other methods. First of all, with respect to determining the energies, one does not need the explicit form for ${\cal A}$. All that is required is that one be able to generate the orthogonal polynomials accurately. Furthermore, this asymptotic factor does not have to be differentiable. Indeed, for the quartic potential, $V(x)=x^{4}$, using ${\cal A}(x)=exp(-{|x|^{3}}\over 3)$ gives better results than using the gaussian. ### 2.3 Generating the Orthonormal Polynomials for ${\cal A}$ This subsection is included for completeness. The orthonormal polynomials of ${\cal A}(x)$ can be determined through the three term recursion relation for their monic form. Let us denote the monic polynomials by ${\tilde{\cal P}}^{(j)}(x)={1\over{\Xi_{j}^{(j)}}}{\cal P}^{(j)}(x)$. For simplicity, we shall refer to the leading orthonormal coefficient as $n_{j}\equiv\Xi_{j}^{(j)}$. Let ${\tilde{\cal P}}^{(j)}(x)={1\over{n_{j}}}{\cal P}^{(j)}(x)=x^{j}+b_{j}x^{j-1}+\ldots$, represent the monic form of the orthonormal polynomial, ${\cal P}^{(j)}(x)$. We then have $\langle\tilde{\cal P}^{(j)}|\tilde{\cal P}^{(j)}\rangle=\langle x^{j}|\tilde{\cal P}^{(j)}\rangle$, and $\langle x\tilde{\cal P}^{(j)}|\tilde{\cal P}^{(j)}\rangle=\langle x^{j+1}|\tilde{\cal P}^{(j)}\rangle+b_{j}\langle x^{j}|\tilde{\cal P}^{(j)}\rangle$. The monic orthogonal polynomials satisfy the well known three term recurrence relation, $\displaystyle{\tilde{\cal P}}^{(j+1)}(x)=(x-{\tilde{\alpha}}_{j+1}){\tilde{\cal P}}^{(j)}(x)-{\tilde{\gamma}}_{j}{\tilde{\cal P}}^{(j-1)}(x)$ (17) for$j\geq 0$, where ${\tilde{\cal P}}^{(-1)}(x)\equiv 0$,${\tilde{\cal P}}^{(0)}(x)\equiv 1$, and ${\tilde{\alpha}}_{j+1}={\langle x{\tilde{\cal P}}^{(j)}|{{\tilde{\cal P}}^{(j)}\rangle}\over{\langle x^{j}|{\tilde{\cal P}}^{(j)}\rangle}}$ and ${\tilde{\gamma}}_{j}={\langle x^{j}|{\tilde{\cal P}}^{(j)}\rangle}\over{\langle x^{j-1}|{\tilde{\cal P}}^{{(j-1)}}\rangle}$. All these expressions depend on the power moments of the weight $m(p)=\int dxx^{p}{\cal A}(x)$, which are assumed known. Specifically $\langle x{\tilde{\cal P}}^{(j)}|{\tilde{\cal P}}^{(j)}\rangle=\sum_{i_{1}=0}^{j}\sum_{i_{2}=0}^{j}\Xi^{(j)}_{i_{1}}\Xi_{i_{2}}^{(j)}m(i_{1}+i_{2}+1)$, $\langle x^{j}|{\tilde{\cal P}}^{(j)}\rangle=\sum_{i=0}^{j}\Xi_{i}^{(j)}m(i+j)$, and $\langle x^{j-1}|{\tilde{\cal P}}^{(j-1)}\rangle=\sum_{i=0}^{j-1}\Xi_{i}^{(j-1)}m(i+j-1)$. Given the monic orthogonal polynomials, $\\{{\tilde{\cal P}}^{(j)}|j\leq J\\}$, the moments $\\{m(2j+1),m(2j),m(2j-1),\ldots,m(0)|j\leq J\\}$ are required for generating the ${\tilde{\alpha}}_{J+1}$ and ${\tilde{\gamma}}_{J}$ coefficients for generating the next monic orthogonal polynomial, ${\tilde{P}}^{(J+1)}(x)$. The three term recursion relation is usually the preferred procedure for generating the monic orthogonal polynomials. The coefficient $n_{j}$ is then obtained from $n_{j}^{2}\langle{\tilde{\cal P}}_{j}|{\tilde{\cal P}}_{j}\rangle=1$. That is ${\tilde{\gamma}}_{j}=({{n_{j-1}}\over{n_{j}}})^{2}$, involving the ratio of the norms. We can transform the monic three term recursion relation into the counterpart for the orthonormal polynomials: $\displaystyle{{\cal P}}^{(j+1)}(x)=(x-{\tilde{\alpha}}_{j+1})\rho_{j}{{\cal P}}^{(j)}(x)-{\tilde{\gamma}}_{j}\rho_{j}\rho_{j-1}{{\cal P}}^{(j-1)}(x),$ (18) for$j\geq 0$, where ${\tilde{\cal P}}^{(-1)}(x)\equiv 0$, and $\rho_{j}={{n_{j+1}}\over{n_{j}}}$. An alternative representation for the orthogonal polynomials comes from Pade analysis [20] which yields $\displaystyle{\tilde{\cal P}}^{(j)}(x)={1\over{{\Delta}_{0,j-1}(m)}}Det\pmatrix{&m(0)&m(1)&\ldots&m(j)\cr&m(1)&m(2)&\ldots&m(j+1)\cr&\ldots&\ldots&\ldots&\ldots\cr&m(j-1)&m(j)&\ldots&m(2j-1)\cr&1&x&\ldots&x^{j}\cr}\ $ $\displaystyle{\Delta}_{i,j-1}(m)=Det\pmatrix{&m(i)&m(i+1)&\ldots&m(i+j-1)\cr&m(i+1)&m(i+2)&\ldots&m(i+j)\cr&\ldots&\ldots&\ldots&\ldots\cr&m(i+j-1)&m(i+j)&\ldots&m(i+2j-2)}>0,\ for\ i=0,1.$ The latter correspond to the Hankel-Hadamard determinants, which must be positive for a (non-atomic) nonnegative weight (although OPPQ requires ${\cal A}$ to be positive). Note then that $\langle{\tilde{\cal P}}^{(j)}|{\tilde{\cal P}}^{(j)}\rangle=\langle x^{j}|{\tilde{\cal P}}^{(j)}\rangle={{\Delta_{0,j}(m)}\over{\Delta_{0,j-1}(m)}}=n_{j}^{-2}$. We can project out, exactly, the $\Omega$ coefficients through $\displaystyle\Omega_{j}=$ $\displaystyle\int_{-\infty}^{+\infty}dx\ {\cal P}^{(j)}(x)\Psi(x),$ $\displaystyle=$ $\displaystyle{1\over\sqrt{\Delta_{0,j-1}(m)\Delta_{0,j}(m)}}Det\pmatrix{&m(0)&m(1)&\ldots&m(j)\cr&m(1)&m(2)&\ldots&m(j+1)\cr&\ldots&\ldots&\ldots&\ldots\cr&m(j-1)&m(j)&\ldots&m(2j-1)\cr&\mu(0)&\mu(1)&\ldots&\mu(j)\cr}.$ ## 3 OPPQ and Quasi-Exactly Solvable Quantum Systems This work solely focuses on QES systems; however, for completeness, we contrast their structure with systems referred to as exactly solvable (ES), for which all states are determinable in closed form. In one space dimension, in some suitable coordinate transformed space if necessary, $s=s(x)$, the wavefunction for an ES system will assume the form $\Psi(s)=s^{\gamma}{\cal P}^{(n)}(s){\cal A}(s)$, where the positive asymptotic form is known in closed form, ${\cal A}(s)>0$, and ${\cal P}^{(n)}(s)$ is the orthogonal polynomial relative to some positive weight ${\cal W}(s)>0$. As before, $\gamma$ denotes any required indicial exponent. The application of OPPQ to ES systems will be discussed in a subsequent work. Quasi-exactly solvable (QES) systems are those admitting wavefunctions of the form $\Psi(x)=x^{\gamma}P_{d}(x){\cal A}(x),$ (21) (assuming $s(x)=x$), where $P_{d}(x)$ is a polynomial of degree “$d$”, to be determined, and not necessarily the orthogonal polynomial of any weight. Within OPPQ, such states will have exactly solvable energies and wavefunctions (i.e. the roots of closed form algebraic functions of the energy, etc.). This statement implicitly assumes the existence of a moment equation. For the remainder of the subsequent presentation (i.e. the sextic anharmonic oscillator), we will take $\gamma=0$. From the discussion and definitions in the previous sections, since $P_{d}(x)=\sum_{j=0}^{d}c_{j}{\cal P}^{(j)}(x)$, we know that for the QES states: $\displaystyle\int dx{\cal P}^{(j)}(x)\Psi(x)=0,\ j\geq d+1.$ (22) That is, the OPPQ quantization condition in Eq.(14) is exactly satisfied at all orders above a certain threshhold ($j\geq d+1$). Assuming that the corresponding missing moments are not identically zero (for that particular state), then Eq.(15) is satisfied for all $N\geq d+1$. Since the $M_{E}(i,\ell)$ expressions are known in closed form (usually producing an algebraic function of $E$ for the determinant in Eq.(16)) it means that the discrete state energy would be determined in closed form, as the constant roots of Eq.(16) for all orders $N\geq d+1$. That is, for QES systems, the determinant quantization expression in Eq.(16) will admit two types of roots, for $N\geq d+1$. There will be the varying roots that converge (exponentially fast) to the true, non-QES states, of the system. The other roots, for arbitrary $N\geq d+1$ will not vary and correspond to the exact energies. Upon determining the QES energies, the corresponding missing moment values are determined, thereby yielding the OPPQ projection coefficients (i.e. $\Omega_{j}$’s), thereby generating the wavefunction. ### 3.1 Additional Moment Identities for QES Solutions Although OPPQ is dependent on the existence of a moment equation, there is another moment relation inherent to QES solutions that is independent of the existence of such moment equations, but strongly suggest that these systems must admit some form of moment equation. If we take ${\cal P}^{(j)}(x)=\sum_{i=0}^{j}\Xi_{i}^{(j)}x^{i}$, where $\Xi_{j}^{(j)}\neq 0$, and insert in Eq.(22), or $\langle{\cal P}^{(j)}|\Psi\rangle=0$, for $j\geq d+1$, we obtain: $\displaystyle\mu(j)=-{1\over{\Xi_{j}^{(j)}}}\sum_{i=0}^{j-1}\Xi_{i}^{(j)}\mu(i),j\geq d+1.$ (23) In particular, starting at $j=d+1$, this linear, recursive, relation connects all the moments $\\{\mu(j)|j\geq d+1\\}$ to the lower order moments $\\{\mu(j)|j\leq d\\}$. These relations are not valid for the non-QES states, since $\langle{\cal P}^{(j)}|\Psi_{non-QES}\rangle\neq 0$. If the system in question has a moment equation, represented as $\mu(p)=\sum_{\ell=0}^{m_{s}}M_{E}(p,\ell)\mu(\ell)$, $p\geq 0$, then for $p\geq d+1$, the moment equation and Eq.(23) must yield the same results once the QES energy and corresponding missing moments have been determined. If the system is parity invariant, the orthonormal polynomials will involve polynomials of alternating even degrees and odd degrees. Therefore, for the even states, if $d=2n$, then Eq.(23) holds for $j=d+2,d+4,\ldots$. If $d=2n+1$, then $j=d+2,d+4,\ldots$. ### 3.2 QES-OPPQ Analysis of Sextic Anharmonic Oscillator Consider the sextic anharmonic oscillator problem in Eq.(1). The leading asymptotic form for the physical bound states corresponds to ${\cal A}(x)=exp\Big{(}-{{\sqrt{g}}\over 4}\big{(}x^{4}+{b\over g}x^{2}\big{)}\Big{)}.$ (24) We will illustrate the consistency of the OPPQ analysis applied within the $\Psi$\- representations (i.e. OPPQ-$\Psi$), which corresponds, in this case, to an $m_{s}=2$ moment equation representation. However, the ideal representation that recovers the Bender-Dunne energy polynomials is that defined by $\Phi(x)={\cal A}(x)\Psi(x)$, an $m_{s}=0$ problem, as discussed in the next section, and referred to as the OPPQ-$\Phi$ analysis. As will be seen in the next section, within the $\Phi$ representation, the particular form of the corresponding moment equation will readily reveal the existence of QES states. Within the $\Psi$ representation, this becomes more difficult, unless one specifically implements a Hill representation analysis and confirms the truncation of the $A(x)$ power series factor. However, a systematic examination of the JWKB form for the wavefunction can suggest the possible existence of QES states. A simple, first order, JWKB approximation for the sextic anharmonic problem suggests that there are QES discrete state wavefunctions of the form $\Psi_{\sigma}(x)=P_{d}(x){\cal A}(x)$, where $d=2n_{*}+\sigma_{*}$, and $\sigma_{*}=0\ or\ 1$, for the even or odd states, respectively. More specifically, the first order JWKB asymptotic form of the discrete state wavefunction gives $\Psi(x)\sim{1\over{({\partial_{x}S(x))^{1\over 2}}}}exp(-S(x))$, where $S(x)={\sqrt{g}\over 4}(x^{4}+{b\over g}x^{2})+{1\over{\sqrt{g}}}({m\over 2}-{{b^{2}}\over{8g}})Ln(x).$ (25) The asymptotic estimate becomes $\Psi_{\sigma}(x)\sim x^{d}{\cal A}(x)$, where $d={1\over{\sqrt{g}}}({{b^{2}}\over{8g}}-{m\over 2})-{3\over 2}$. Since there can only be even or odd solutions, the potential function parameters leading to an integer form for $d=2n_{*}+\sigma_{*}$ correspond to the QES potential function constraints in Eq.(2). We can test the validity of this by checking that the OPPQ analysis yields constant QES energy values within the OPPQ framework. As previously noted, the constraint in Eq.(2) can only be explicitly confirmed either within a Hill representation (truncation) analysis, or the $\nu$-moment analysis in the next section. We will work within each parity symmetry class associated with the QES state. The QES form for the wavefunction will be $\Psi_{\sigma_{*}}(x)=P_{d}(x){\cal A}(x)$ , where $P_{d}(x)\rightarrow x^{\sigma_{*}}{P}_{n_{*}}(x^{2})$, $d=\sigma_{*}+2n_{*}$, for the even or odd states ($\sigma_{*}=0,1$): $\Psi_{\sigma_{*}}(x)=x^{\sigma_{*}}{P}_{n_{*}}(x^{2}){\cal A}(x).$ (26) For notational simplicity, the following discussion implicitly assumes that all references to $\sigma,n$ implicitly refer to the QES values $\sigma_{*},n_{*}$. We expand the wavefunction in terms of $\Psi_{\sigma}(x)=\sum_{j=0}^{n}\Omega_{j}x^{\sigma}{{\cal P}}^{(j)}_{\sigma}(x^{2}){\cal A}(x),$ (27) where $x^{\sigma}{\cal P}^{(j)}_{\sigma}(x^{2})$ are the even and odd orthonormal polynomials of ${\cal A}$, satisfying $\langle{{\cal P}}_{\sigma}^{(j_{1})}|x^{2{\sigma}}{\cal A}(x)|{{\cal P}}_{\sigma}^{(j_{2})}\rangle=\delta_{j_{1},j_{2}}$. Quantization via OPPQ involves $\displaystyle\int dx\ x^{\sigma}{{\cal P}}^{(j)}_{\sigma}(x^{2})\Psi_{\sigma}(x)=0,$ $\displaystyle\int_{0}^{\infty}d\xi\ {{\cal P}}^{(j)}_{\sigma}(\xi)\ \psi_{\sigma}(\xi)=0,\ for\ j\geq n_{*}+1,$ (28) where $\psi_{\sigma}(\xi)\equiv\xi^{{\sigma-1}\over 2}\Psi_{\sigma}(\sqrt{\xi})$, from Eq.(4). Writing ${{\cal P}}^{(j)}_{\sigma}(\xi)=\sum_{i=0}^{j}\Xi_{\sigma;i}^{(j)}\ \xi^{i}$, Eq.(27) transforms into $\displaystyle\sum_{i=0}^{j}\Xi_{\sigma;i}^{(j)}\ u_{\sigma}(i)=0,$ $\displaystyle\sum_{\ell=0}^{m_{s}}\Big{(}\sum_{i=0}^{j}\Xi_{\sigma;i}^{(j)}M_{E,\sigma}(i,\ell)\Big{)}u_{\sigma}(\ell)=0,\ for\ j\geq n_{*}+1,$ (29) using the $u_{\sigma}$-moment equation in Eq.(6). As suggested in Eq.(29), this relation is exactly true for QES states. It becomes the OPPQ approximation for non-QES states. The missing moment order is $m_{s}=2$, therefore Eq.(29) must be valid for any three successive $j$ values, provided they are greater than $n_{*}+1$. In particular, for $j=N,N+1,N+2$, where $N\geq n_{*}+1$, we obtain the determinantal relation $\displaystyle D_{N}(E)=Det\pmatrix{{\cal M}_{(N,0)}(E)&{\cal M}_{(N,1)}(E)&{\cal M}_{(N,2)}(E)\cr{\cal M}_{(N+1,0)}(E)&{\cal M}_{(N+1,1)}(E)&{\cal M}_{(N+1,2)}(E)\cr{\cal M}_{(N+2,0)}(E)&{\cal M}_{(N+2,1)}(E)&{\cal M}_{(N+2,2)}(E)}=0,\ for\ N\geq n_{*}+1,$ where ${\cal M}_{(N+\ell_{1},\ell_{2})}(E)\equiv\sum_{i=0}^{N+\ell_{1}}\Xi_{\sigma;i}^{(N+\ell_{1})}M_{E,\sigma}(i,\ell_{2})$, $0\leq\ell_{1,2}\leq 2$. As stated before, the degree of the $D_{N}(E)$ polynomial increases with $N$. Eq.(30) will be satisfied by all QES states for fixed index $n_{*}$. They will be the exact roots of Eq.(30) for all $N\geq n_{*}+1$. The other roots generated from Eq.(30) will approximate, and converge (exponentially fast) to, the non-QES energies. Once the QES energies are determined, the corresponding missing moments are also determined $\\{u_{\sigma}(0),u_{\sigma}(1),u_{\sigma}(2)\\}$, subject to a convenient normalization (i.e. $u_{\sigma}(0)=1$). The OPPQ expansion coefficients in Eq.(27) are then obtained through $\displaystyle\Omega_{j}=$ $\displaystyle\int dx\ x^{\sigma}{{\cal P}}_{\sigma}^{(j)}(x^{2})\Psi_{\sigma}(x)$ $\displaystyle\Omega_{j}=$ $\displaystyle\sum_{i=0}^{j}\Xi_{\sigma;i}^{(j)}u_{\sigma}(i),$ $\displaystyle\Omega_{j}=$ $\displaystyle\sum_{i=0}^{j}\Xi_{\sigma;i}^{(j)}\big{(}\sum_{\ell=0}^{2}M_{E,\sigma}(i,\ell)u_{\sigma}(\ell)\big{)},\ for\ j\leq n_{*},$ (31) generating the closed form expression for the wavefunction, as given in Eq.(26). The final component is generating the orthonormal polynomials of ${\cal A}$. Since $\langle{{\cal P}}_{\sigma}^{(j_{1})}|\xi^{\sigma}{{{\cal A}(\xi)}\over{\sqrt{\xi}}}|{{\cal P}}_{\sigma}^{(j_{2})}\rangle=\int_{0}^{\infty}d\xi\ {\cal P}_{\sigma}^{(j_{1})}(\xi){\cal P}_{\sigma}^{(j_{2})}(\xi)\xi^{\sigma-{1\over 2}}{\cal A}(\xi)=\delta_{j_{1},j_{2}}$, the respective orthonormal polynomials are generated by different weights in the $\xi$-coordinate. We need the power moments of these different weights, $m_{\sigma}(\rho)=m(\rho+\sigma)=\int_{0}^{\infty}d\xi\ \xi^{\rho+\sigma}{{{\cal A}(\xi)}\over{\sqrt{\xi}}}$. Anticipating the needs of the OPPQ-$\Phi$ representation, we define ${\cal A}(s;x)=exp\big{(}-{{\sqrt{g}}\over s}\big{(}x^{4}+{b\over g}x^{2}\big{)}\Big{)}$, where $s=4$ for OPPQ-$\Psi$ (i.e. the OPPQ-$\Phi$ works with ${\cal A}^{2}(x)$, thus requiring $s=2$). Since $\partial_{x}{\cal A}(s;x)=-{{\sqrt{g}}\over s}\big{(}4x^{3}+{{2b}\over{{g}}}x\big{)}{\cal A}(s;x)$, this generates the moment equation (upon multiplying both sides by $x^{2\rho+1}$ and integrating by parts): $\displaystyle m(\rho+2)={s{(2\rho+1)}\over{4\sqrt{g}}}m(\rho)-{{b}\over{2{g}}}m(\rho+1),\rho\geq 0,$ (32) where $m(\rho)=\int_{-\infty}^{+\infty}dxx^{2\rho}{\cal A}(s;x)$. We can use Mathematica to determine the $m(0)$ and $m(1)$ moments in terms of the modified Bessel function of the second kind $\int dx{\cal A}(x)=({e\over 2})^{1\over 4}K_{1\over 4}({1\over 4})$, and the Bessel function of the first kind, $\int dxx^{2}{\cal A}(x)=-{\pi\over 2}({e\over 2})^{1\over 4}\Big{(}I_{-{1\over 4}}({1\over 4})-3I_{{1\over 4}}({1\over 4})+I_{{3\over 4}}({1\over 4})-I_{{5\over 4}}({1\over 4})\Big{)}$. Consider the potential function parameters $g=1$, $b^{2}=8$, then the potential function parameter becomes $m_{pot}=-(4n_{*}+2\sigma_{*}+1)$. Tables 1 and 2 give the OPPQ analysis for the corresponding QES and non-QES states for $n_{*}=3$. It will be noted that as soon as $N\geq n_{*}+1$, the QES states are exactly determined and remain the same constant roots for the corresponding $D_{N}(E)$ function. The other OPPQ energy roots for $D_{N}(E)$ converge to the non-QES states. We emphasize that the numbers given for the QES states represent the first six-seven decimal places of the exact energies with no rounding off. We also give the OPPQ estimate for the non-QES states, derived from a higher order OPPQ analysis using orthonormal polynomials of $exp(-{{x^{4}}/4})$ as developed in Ref. [11]. For completenss, Tables 3 and 4 give both QES and non-QES states derived without working in the explicit parity subspaces. That is, we work with the $\mu$ moments directly ($m_{s}=5$), generating the corresponding ($6\times 6$) OPPQ determinantal equation. The $N$ paramter quoted is different from that in Talbes 1 and 2. For Tables 3 and 4, for the $n_{*}=3$ case, the QES states have $P_{d}(x)$ with $d=2n_{*}+\sigma_{*}$, hence the exact QES energies become manifest for $N\geq 7\ or\ 8$, depending on the even or odd states, respectively. Table 1: Convergence of OPPQ-$\Psi$ (QES* and non-QES) for the first six (even) energy levels of Eq.(1), $g=1$,$b=\sqrt{8}$, $m=-(4n_{*}+2\sigma_{*}+1)$,$n_{*}=3$, $\sigma_{*}=0$ $N$ | $E_{0}^{*}$ | $E_{2}^{*}$ | $E_{4}^{*}$ | $E_{6}^{*}$ | $E_{8}$ | $E_{10}$ ---|---|---|---|---|---|--- $V(x)=gx^{6}+bx^{4}+mx^{2}$, ${\cal A}(x)=exp\big{(}-{{\sqrt{g}}\over 4}\big{(}x^{4}+{b\over g}x^{2}\big{)}\Big{)}$ 1 | -3.500501 | | | | | 2 | -6.604075 | 0.507807 | | | | 3 | -4.538891 | 2.361563 | 8.006481 | | | 4 | -4.701631 | 2.289850 | 13.186912 | 28.822848 | | 5 | -4.701631 | 2.289850 | 13.186912 | 28.822848 | 61.179448 | 6 | -4.701631 | 2.289850 | 13.186912 | 28.822848 | 51.599563 | 102.816240 7 | -4.701631 | 2.289850 | 13.186912 | 28.822848 | 48.712815 | 82.421165 8 | -4.701631 | 2.289850 | 13.186912 | 28.822848 | 47.857837 | 74.249292 9 | -4.701631 | 2.289850 | 13.186912 | 28.822848 | 47.652156 | 70.817047 10 | -4.701631 | 2.289850 | 13.186912 | 28.822848 | 47.616909 | 69.545484 11 | -4.701631 | 2.289850 | 13.186912 | 28.822848 | 47.614022 | 69.227821 12 | -4.701631 | 2.289850 | 13.186912 | 28.822848 | 47.613850 | 69.232777 $\infty$ | | | | | 47.613209 | 69.043247 Table 2: Convergence of OPPQ-$\Psi$ (QES* and non-QES) for the first six (odd) energy levels of Eq.(1), $g=1$,$b=\sqrt{8}$, $m=-(4n_{*}+2\sigma_{*}+1)$,$n_{*}=3$, $\sigma_{*}=1$ $N$ | $E_{1}^{*}$ | $E_{3}^{*}$ | $E_{5}^{*}$ | $E_{7}^{*}$ | $E_{9}$ | $E_{11}$ ---|---|---|---|---|---|--- $V(x)=gx^{6}+bx^{4}+mx^{2}$, ${\cal A}(x)=exp\big{(}-{{\sqrt{g}}\over 4}\big{(}x^{4}+{b\over g}x^{2}\big{)}\Big{)}$ 1 | -8.086559 | | | | | 2 | -7.931590 | -0.067843 | | | | 3 | -6.466044 | 5.685330 | 10.297850 | | | 4 | –6.629227 | 4.618850 | 18.024593 | 34.897472 | | 5 | -6.629227 | 4.618850 | 18.024593 | 34.897472 | 70.431224 | 6 | -6.629227 | 4.618850 | 18.024593 | 34.897472 | 59.527051 | 114.774703 7 | -6.629227 | 4.618850 | 18.024593 | 34.897472 | 56.100032 | 92.408733 8 | -6.629227 | 4.618850 | 18.024593 | 34.897472 | 55.025448 | 83.209865 9 | -6.629227 | 4.618850 | 18.024593 | 34.897472 | 54.745576 | 79.194992 10 | -6.629227 | 4.618850 | 18.024593 | 34.897472 | 54.689889 | 77.548343 $\infty$ | | | | | 54.686459 | 76.977398 Table 3: Unified OPPQ-$\Psi$ analysis within $\mu$ representation for $\sigma_{*}=0,n_{*}=3$, $b=\sqrt{8}$ and $m=-13$. QES states $E_{0}$, $E_{2}$, $E_{4}$ and $E_{6}$ are “exact”, while the other states converge fast. N | $E_{0}^{*}$ | $E_{1}$ | $E_{2}^{*}$ | $E_{3}$ | $E_{4}^{*}$ | $E_{5}$ | $E_{6}^{*}$ | $E_{7}$ ---|---|---|---|---|---|---|---|--- 1 | -3.50050190677 | | | | | | | 2 | -6.03169311724 | -3.50050190677 | | | | | | 3 | -6.60407548295 | -6.03169311724 | 0.507807963155 | | | | | 4 | -6.60407548295 | -4.72113209085 | 0.507807963155 | 2.25709085340 | | | | 5 | -4.72113209085 | -4.53889182150 | 2.25709085340 | 2.36156311823 | 8.00648129616 | | | 6 | -4.53889182150 | -4.21887392229 | 2.36156311823 | 7.10373221895 | 8.00648129616 | 16.7229518999 | | 7 | -4.70163122288 | -4.21887392229 | 2.28985002468 | 7.10373221895 | 13.1869125971 | 16.7229518999 | 28.8228483475 | 8 | -4.70163122288 | -4.25720912289 | 2.28985002468 | 6.71439942230 | 13.1869125971 | 20.2497283402 | 28.8228483475 | 43.7475563324 9 | -4.70163122288 | -4.25720912289 | 2.28985002468 | 6.71439942230 | 13.1869125971 | 20.2497283402 | 28.8228483475 | 43.7475563324 10 | -4.70163122288 | -4.25800570649 | 2.28985002468 | 6.71431004595 | 13.1869125971 | 20.5352883528 | 28.8228483475 | 39.2137668519 11 | -4.70163122288 | -4.25800570649 | 2.28985002468 | 6.71431004595 | 13.1869125971 | 20.5352883528 | 28.8228483475 | 39.2137668519 12 | -4.70163122288 | -4.25801075980 | 2.28985002468 | 6.71503370668 | 13.1869125971 | 20.5608997790 | 28.8228483475 | 38.1497221283 13 | -4.70163122288 | -4.25801075980 | 2.28985002468 | 6.71503370668 | 13.1869125971 | 20.5608997790 | 28.8228483475 | 38.1497221283 14 | -4.70163122288 | -4.25800781019 | 2.28985002468 | 6.71512397419 | 13.1869125971 | 20.5622044115 | 28.8228483475 | 37.9091389572 15 | -4.70163122288 | -4.25800781019 | 2.28985002468 | 6.71512397419 | 13.1869125971 | 20.5622044115 | 28.8228483475 | 37.9091389572 16 | -4.70163122288 | -4.25800743707 | 2.28985002468 | 6.71512989894 | 13.1869125971 | 20.5620795974 | 28.8228483475 | 37.8672556901 17 | -4.70163122288 | -4.25800743707 | 2.28985002468 | 6.71512989894 | 13.1869125971 | 20.5620795974 | 28.8228483475 | 37.8672556901 18 | -4.70163122288 | -4.25800741621 | 2.28985002468 | 6.71512975900 | 13.1869125971 | 20.5620354769 | 28.8228483475 | 37.8626239770 19 | -4.70163122288 | -4.25800741621 | 2.28985002468 | 6.71512975900 | 13.1869125971 | 20.5620354769 | 28.8228483475 | 37.8626239770 Table 4: Unified OPPQ-$\Psi$ analysis within $\mu$ representation for $\sigma_{*}=1,n_{*}=3$,$b=\sqrt{8}$ and $m=-15$. QES states $E_{1}$, $E_{3}$, $E_{5}$ and $E_{7}$ are “exact”, while the other states converge fast. N | $E_{0}$ | $E_{1}^{*}$ | $E_{2}$ | $E_{3}^{*}$ | $E_{4}$ | $E_{5}^{*}$ | $E_{6}$ | $E_{7}^{*}$ | $E_{8}$ ---|---|---|---|---|---|---|---|---|--- 1 | -4.31962115162 | | | | | | | | 2 | -8.08655987811 | -4.31962115162 | | | | | | | 3 | -9.55087356079 | -8.08655987811 | -0.190781182520 | | | | | | 4 | -9.55087356079 | -7.93159013829 | -0.190781182520 | -0.0678433862236 | | | | | 5 | -7.93159013829 | -6.51760411099 | -0.0678433862236 | 0.0554777594537 | 4.59925352308 | | | | 6 | -6.51760411099 | -6.46604495681 | 0.0554777594537 | 4.59925352308 | 5.68533008405 | 10.2978504560 | | | 7 | -6.84097818474 | -6.46604495681 | 1.07749798410 | 5.68533008405 | 10.2978504560 | 11.7267374340 | 20.9221258143 | | 8 | -6.84097818474 | -6.62922791805 | 1.07749798410 | 4.61885026929 | 11.7267374340 | 18.0245932316 | 20.9221258143 | 34.8974726626 | 9 | -6.84901298988 | -6.62922791805 | 1.01868143168 | 4.61885026929 | 10.9341820352 | 18.0245932316 | 25.6172237107 | 34.8974726626 | 51.4874448871 10 | -6.84901298988 | -6.62922791805 | 1.01868143168 | 4.61885026929 | 10.9341820352 | 18.0245932316 | 25.6172237107 | 34.8974726626 | 51.4874448871 11 | -6.84939579745 | -6.62922791805 | 1.01724028394 | 4.61885026929 | 10.9283350058 | 18.0245932316 | 26.0186964925 | 34.8974726626 | 46.1617846405 12 | -6.84939579745 | -6.62922791805 | 1.01724028394 | 4.61885026929 | 10.9283350058 | 18.0245932316 | 26.0186964925 | 34.8974726626 | 46.1617846405 13 | -6.84941133696 | -6.62922791805 | 1.01721575801 | 4.61885026929 | 10.9291565335 | 18.0245932316 | 26.0597394744 | 34.8974726626 | 44.8467290999 14 | -6.84941133696 | -6.62922791805 | 1.01721575801 | 4.61885026929 | 10.9291565335 | 18.0245932316 | 26.0597394744 | 34.8974726626 | 44.8467290999 15 | -6.84941128633 | -6.62922791805 | 1.01721996310 | 4.61885026929 | 10.9292994586 | 18.0245932316 | 26.0625827763 | 34.8974726626 | 44.5272878301 16 | -6.84941128633 | -6.62922791805 | 1.01721996310 | 4.61885026929 | 10.9292994586 | 18.0245932316 | 26.0625827763 | 34.8974726626 | 44.5272878301 17 | -6.84941118433 | -6.62922791805 | 1.01722065544 | 4.61885026929 | 10.9293121992 | 18.0245932316 | 26.0625117133 | 34.8974726626 | 44.4658799515 18 | -6.84941118433 | -6.62922791805 | 1.01722065544 | 4.61885026929 | 10.9293121992 | 18.0245932316 | 26.0625117133 | 34.8974726626 | 44.4658799515 19 | -6.84941117246 | -6.62922791805 | 1.01722070755 | 4.61885026929 | 10.9293124794 | 18.0245932316 | 26.0624501552 | 34.8974726626 | 44.4579163980 ## 4 The $\Phi$ Representation : An $m_{s}=0$ Perspective on the Bender-Dunne Polynomials ### 4.1 Transformation of the sextic anharmonic oscillator to an $m_{s}=0$ moment equation representation In general, if ${\cal A}(x)>0$ is the leading, positive, bounded, asymptotic form for the discrete wavefunction, and it is known in closed form, then if $\Phi(x)={\cal A}(x)\Psi(x)$ admits a moment equation, it will have an order ($m_{s})$ less than that in the $\Psi$ representation. For the sextic problem, this corresponds to $\displaystyle\Phi(x)=exp\Big{(}-{\sqrt{g}\over 4}\big{(}{{x^{4}}}+{b\over g}{{x^{2}}}\big{)}\Big{)}\Psi(x),$ whose differential equation becomes $\displaystyle-\partial_{x}^{2}\Phi-\big{(}{b\over{\sqrt{g}}}x+2\sqrt{g}x^{3}\big{)}\partial_{x}\Phi(x)$ $\displaystyle+\ \Big{(}(m-3\sqrt{g}-{{b^{2}}\over{4g}})x^{2}-(E+{b\over{2\sqrt{g}}})\Big{)}\Phi(x)=0.$ (34) Let us now assume that $\Phi(x)$ is the exponentially decaying configuration for a particular discrete state. Since it has to be continuously differentiable, we can multiply both sides of Eq.(34) by $x^{p}$and integrate by parts over the entire real axis. Define the power moments $\nu(p)=\int dx\ x^{p}\Phi(x)$, $p\geq 0$. These moments satisfy the moment equation: $\displaystyle\Big{(}m+3\sqrt{g}-{{b^{2}}\over{4g}}+2\sqrt{g}p)\Big{)}\nu(p+2)=$ $\displaystyle(E-{b\over{\sqrt{g}}}(p+{1\over 2}))\nu(p)+p(p-1)\nu(p-2),\ p\geq 0.$ (35) Given that the physical system admits parity invariant states, the moment equation decouples into the corresponding even and odd order power moments. Define $v_{\sigma}(\rho)=\nu(2\rho+\sigma)$, $\sigma=0,1$, corresponding to the even and odd states, respectively. The corresponding moment equations becomes: $\displaystyle\Big{(}m+3\sqrt{g}-{{b^{2}}\over{4g}}+4\sqrt{g}\rho)\Big{)}v_{e}(\rho+1)=$ $\displaystyle(E-{b\over{\sqrt{g}}}(2\rho+{1\over 2}))v_{e}(\rho)+2\rho(2\rho-1)v_{e}(\rho-1),\ \rho\geq 0;$ (36) and $\displaystyle\Big{(}m+3\sqrt{g}-{{b^{2}}\over{4g}}+2\sqrt{g}(2\rho+1))\Big{)}v_{o}(\rho+1)=$ $\displaystyle(E-{b\over{\sqrt{g}}}(2p+{3\over 2}))v_{o}(\rho)+2\rho(2\rho+1)v_{o}(\rho-1),\ \rho\geq 0.$ (37) We can express the above more compactly as $\displaystyle\Big{(}m-{{b^{2}}\over{4g}}+\sqrt{g}(4\rho+3+2\sigma)\Big{)}v_{\sigma}(\rho+1)=$ $\displaystyle(E-{b\over{\sqrt{g}}}(2\rho+{1\over 2}+\sigma))v_{\sigma}(\rho)+2\rho(2\rho-1+2\sigma)v_{\sigma}(\rho-1),$ $\rho\geq 0$, and $\sigma=0,1$. The above moments correspond to different Stieltjes measures. Specifically, $\displaystyle v_{\sigma}(\rho)$ $\displaystyle=\nu(2\rho+\sigma)=\int_{-\infty}^{+\infty}dx\ x^{2\rho+\sigma}\Phi_{\sigma}(x)$ $\displaystyle v_{\sigma}(\rho)$ $\displaystyle=\int_{0}^{\infty}d\xi\ \xi^{\rho}\phi_{\sigma}(\xi),$ (39) where $\ \phi_{\sigma}(\xi)\equiv{{\Phi_{\sigma}(\xi)}\over{({{\sqrt{\xi}}})^{1-\sigma}}}$, $\xi\equiv x^{2}$, and $\Phi_{\sigma}(x)={\cal A}(x)\Psi_{\sigma}(x)$. The QES-States The moment equations in Eq.(35-38) are implicitly only valid for the physical states. In general, except for the special QES states, they are of missing moment order $m_{s}=0$ since if $v_{\sigma}(0)\neq 0$ (which is the case for the ground and first excited states within EMM), all the higher order moments are generated and become polynomials in the energy: $\displaystyle v_{\sigma}(\rho)=Polynomial\ of\ degree\ \rho\ in\ the\ energy,\ E;$ $\displaystyle v_{\sigma}(\rho)\equiv\Lambda_{\sigma}^{(\rho)}(E).$ (40) We see that if the coefficient of the $v_{\sigma}(\rho+1)$ term in Eq.(38) is never zero, for any integer $\rho$ and $\sigma$ value, then an infinite number of such polynomials are generated. If this coefficient is zero for some $\rho=n_{*}$ and $\sigma_{*}=0,1$, then the potential function parameters are constrained to $m-{{b^{2}}\over{4g}}+\sqrt{g}(4n_{*}+3+2\sigma_{*})=0,$ (41) allowing only the first $n_{*}+1$ moments to be generated, $\\{v_{\sigma_{*}}(\rho)|0\leq\rho\leq n_{*}\\}$. Eq.(41) is the QES parameter condition in Eq.(2). We stress that if Eq.(41) is satisfied by the potential function parameters, the states of opposite parity to the QES states, $\sigma\neq\sigma_{*}$, will satisfy the corresponding version of Eq.(38), and generate all the moments as polynomials in the energy $\\{v_{\sigma}(\rho)|\rho\geq 0\\}$. Define the $n+1$ degree polynomial $\displaystyle{P}_{\sigma}^{(n+1)}(E)=(E-{b\over{\sqrt{g}}}(2n+{1\over 2}+\sigma))\Lambda_{\sigma}^{(n)}(E)+2n(2n-1+2\sigma)\Lambda_{\sigma}^{(n-1)}(E).$ Within the EMM framework, Handy and Bessis [14] realized that if the QES parameter conditions in Eq.(41) are satisifed, then the fact that the ground and first excited states must have nonzero, zeroth-order moments, $v_{\sigma_{*}}(0)\neq 0$, makes them the roots of the respective polynomial ${P}_{\sigma_{*}}^{(n_{*}+1)}(E)=0.$ (43) If any other excited state has its zeroth order moment also nonzero, then it too must be a root of the above polynomial. The question is, will this property also hold for all the first $n_{*}$ excited states? The answer is yes. The proof, known to HB, is given below. That is, all the $n_{*}+1$ roots of this polynomial correspond to the QES states. ### 4.2 Moments’ Proof that all the roots of $P_{\sigma^{*}}^{(n_{*}+1)}(E)=0$, correspond to the QES states We assume that the potential function parameters satisfy the constraint in Eq.(41). Within the EMM framework, $P_{\sigma^{*}}^{(n_{*}+1)}(E)=0$ yields the QES energy root corresponding to the lowest energy within the $\sigma^{*}$ (even/odd parity) symmetry class, since the corresponding zeroth order moment is non-zero, $v_{\sigma^{*}}(0)\neq 0$, due to the underlying positivity (if $\sigma_{*}=0$) or nonnegativity (if $\sigma_{*}=1$), for the ground or first excited state Stieltjes measure (Eq.(4)), respectively. The other higher energy states (i.e. second, third, etc.) in the $\sigma_{*}$\- symmetry class must satisfy Eq.(38) for the moments $\\{v_{\sigma^{*}}(\rho)|0\leq\rho\leq n_{*}\\}$. Given that this is an $m_{s}=0$ moment equation, there are only two possibilities for any such excited state: $v_{\sigma^{*}}(0)=0$, or $v_{\sigma^{*}}(0)\neq 0$. If the second option holds, then that energy must be a root of the $n_{*}+1$ degree polynomial given in Eq.(43). Therefore, we focus on the first option, which although a real possibility, will be shown not to hold, for any of the first $n_{*}+1$ states (i.e. the QES states) . In fact, there are two proofs for this. We give the original (unpublished) analysis, followed by the proof based on assuming the states have the OPPQ/QES form discussed previously: $\Psi(x)=P_{d}(x){\cal A}(x)$ or $\Phi(x)=P_{d}(x){\cal A}^{2}(x)$. If we assume that a particular excited state has $v_{\sigma_{*}}(0)=0$, then the moment equation tells us that $v_{\sigma^{*}}(\rho)=0$, for $0\leq\rho\leq n_{*}$ ,although not necessarily for $v_{\sigma_{*}}(n_{*}+1)$, since it is not generated by the moment equation. EMM-Moment Equation Proof The Sturm-Liouville character of the sextic problem tells us that within the symmetry class corresponding to $\sigma^{*}$, all states are uniquely characterized by the number of nodes along the positive real axis, $\xi=x^{2}>0$. The ground state has no nodes at all. The first excited state has no nodes along the positive axis (its only node is at the origin). The next higher energy state, within the even parity or odd parity states, will have one node along the positive axis, etc. Let us denote the first $n_{*}+1$ states within the $\sigma^{*}$ symmetry class ( ordered in terms of energy or number of nodes on the positive real axis) by $\phi_{\sigma^{*},j}(\xi)$, $0\leq j\leq n_{*}$. The lowest energy state ($j=0$) is either the ground or first excited state, depending on $\sigma^{*}$. Let $\\{r_{\sigma^{*},j;i}|1\leq i\leq j\\}$ denote the nodes along the positive $\xi$ \- real line, for the $j\geq 1$ state; therefore the configuration $\pi_{\sigma^{*},j}(\xi)=\phi_{\sigma^{*},j}(\xi)\Pi_{i=1}^{j}(\xi- r_{\sigma^{*},j;i})$ must be nonnegative (i.e. can be chosen as such). However, this means that its power moments must be positive: $\int_{0}^{\infty}d\xi\ \xi^{\rho}\pi_{\sigma^{*},j}(\xi)>0$. In particular, the zeroth moment is the linear superposition of all the first $1+j$ moments of $\phi_{\sigma^{*},j}(\xi)$ (i.e. $\\{v_{\sigma^{*}}(0),\ldots,v_{\sigma^{*}}(j)\\}$). However, our starting assumption is that all of these are zero, provided $j\leq n_{*}$. This is a contradiction, so Eq.(43) is the quantization condition for all the first $n_{*}+1$, QES states. OPPQ-QES Proof From OPPQ-$\Psi$ we argued that the QES states must have the form $\Psi(x)=P_{d}(x){\cal A}(x)$, or $\Phi_{\sigma_{*}}(x)=x^{\sigma_{*}}P_{n_{*}}(x^{2}){\cal A}^{2}(x)$. Let ${\cal O}^{(j)}_{\sigma_{*}}(x^{2})$ denote the orthonormal polynomials of the respective even weights $x^{2\sigma_{*}}{\cal A}^{2}(x)$. We therefore have $\int dx{\cal O}^{(n_{*}+q)}_{\sigma_{*}}(x^{2})x^{\sigma_{*}}\Phi_{\sigma_{*}}(x)=0$, for $q\geq 1$. However, these integrals correspond to a linear sum of the power moments $\\{v_{\sigma_{*}}(0),\ldots,v_{\sigma_{*}}(n_{*}+q)\\}$. If all $v_{\sigma_{*}}(\rho)=0$, for $\rho\leq n_{*}$, then so too must $v_{\sigma_{*}}(n_{*}+1)$, and thereby all the higher order moments. This essentially would imply that $\Phi_{\sigma_{*}}(x)=0$, a contradiction. We note that both proofs rely on the existence of an $m_{s}=0$ moment equation for the first $n_{*}+1$ moments. Neither makes use of the moment equation for the moment of order higher than $n_{*}$. The non-QES states of the Same Parity as the QES-State, must have $v_{\sigma_{*}}(\rho)=0$, for $0\leq\rho\leq n_{*}$: $\Phi_{\sigma_{*}}^{(Non- QES)}(x)=\partial_{x}^{2n_{*}+2+\sigma_{*}}\Upsilon(x)$ This is immediate. Since the sextic anharmonic potential is unbounded from above, there are an infinite number of bound states of either parity. If the potential function parameters satisfy Eq.(41), for some $\\{\sigma_{*},n_{*}\\}$ pair, then only a finite number of the discrete states correspond to the QES states, as determined by the $n_{*}+1$ roots of the energy polynomial in Eq.(43). There are, therefore, an infinite number of non-QES states of the same parity as the coresponding QES states, $\sigma=\sigma_{*}$. These must satisfy the same moment equation as the QES states. Only the QES states can have $v_{\sigma_{*}}(0)\neq 0$ because this then means that their energies are determined by Eq.(43). Therefore, the non-QES states of the same parity as the QES states must have $v_{\sigma_{*}}(0)=0$, which means all the first $n_{*}+1$ moments are zero. From a simple Fourier analysis, one concludes that since $\nu(p)=\int dxx^{p}\Phi_{\sigma_{*}}^{(non-QES)}(x)=0$, for $0\leq p\leq 2n_{*}+\sigma_{*}$ then $\Phi_{\sigma_{*}}^{(non- QES)}(x)=\partial_{x}^{2n_{*}+2+\sigma_{*}}\Upsilon(x)$, where $\Upsilon$ has the same parity as $\Phi_{\sigma_{*}}^{(non-QES)}$. This proves our claim, for the sextic anharmonic oscillator case. The same result is true for the Bender Dunne potential, with respects to the first $n_{*}+1$ moments being zero. However, the implications for the form of the corresponding $\Phi(x)$ configuration is complicated by the singular (indicial factor) required. Overview of the Moment Equation Structure for the QES and non-QES States If the potential function parameters satisfy Eq.(41), we will refer to this as “V(x) is of QES type”. Unless otherwize indicated, the following discussion pertains to this case. The corresponding moment equation for the $\sigma_{*}$ parity states (QES or non-QES) will decouple the $v_{\sigma_{*}}(n_{*}+1)$ moment from the lower order moments. For the QES states, the first $n_{*}+1$ moments define an $m_{s}=0$ moment equation. From Eq.(38), taking $\rho=n_{*}+1$, we see that the $\nu_{\sigma_{*}}(n_{*}+2)$ moment couples to $\\{\nu_{\sigma_{*}}(n_{*}+1),\nu_{\sigma_{*}}(n_{*})\\}$, where the $\nu_{\sigma_{*}}(n_{*})$ moment, in turn, is determined by the zeroth moment $\nu_{\sigma_{*}}(0)$. Thus the QES states moments’ $\\{\nu_{\sigma_{*}}(\rho)|\rho\geq n_{*}+2\\}$ couple, linearly, to the moments $\\{\nu_{\sigma_{*}}(n_{*}+1),\nu_{\sigma_{*}}(0)\\}$. In summary, the first $n_{*}+1$ moments, for the QES states, satisfy an $m_{s}=0$ moment equation. The higher order moments will satisfy an effective $m_{s}=1$ moment equation. We do not have to use the roots of the energy polynomial in Eq.(43), to determine the QES energies. We can apply OPPQ to the $\\{\nu_{\sigma_{*}}(\rho)|\rho\geq n_{*}+2\\}$ moments ( an $m_{s}=1$ moment equation). It will generate the exact QES energies for $N$ above a certain threshold. This is detailed in Sec. V. This same OPPQ analysis will also generate many more roots to the OPPQ determinant. These will be (converging) approximants to the non-QES energies, in the $N\rightarrow\infty$ limit. One can verify that these OPPQ solutions correspond to solutions for which the zeroth order moment vanishes asymptotically ($\lim_{N\rightarrow\infty}v_{\sigma_{*}}(0)=0$) corresponding to the non-QES states. This is also discussed in Sec. V. Continuing with the case of “V(x) of QES type”, the non-QES states of the same symmetry as the QES states must satisfy the same moment equation. From Eq.(38), if $\rho=n_{*}+1$, then $v_{\sigma_{*}}(n_{*}+2)$ is determined by $v_{\sigma_{*}}(n_{*}+1)$ since $v_{\sigma_{*}}(n_{*})=0$, for these non-QES states. In other words, the non-QES states of the same symmetry as the QES states, satisfy an $m_{s}=0$ missing moment relation, with respect to the moments of order $n_{*}+1$ and higher. They are all linearly dependent on $v_{\sigma_{*}}(n_{*}+1)$. Tables 5 and 6 uses OPPQ on the higher order moments to compute the non-QES states, of the same parity as the QES states, assuming $\\{v_{\sigma_{*}}(\rho)=0|0\leq\rho\leq n_{*}\\}$. The details of this analysis are also given in Sec. V. If V(x) is of “QES type”, then there will be non-QES states of opposite parity to the QES states. In this case, Eq.(38) is a full $m_{s}=0$ moment equation, for all moments $\\{v_{\sigma}(\rho)|\rho\geq 0\\}$. If V(x) is not of “QES type”, then all states satisfy Eq.(38) which is, again, an $m_{s}=0$, moment equation. We summarize all the above in Table 7. Table 5: OPPQ-$\Phi$ determination of non-QES states (of $\sigma_{*}$ symmetry) computed by taking $v_{\sigma_{*}}(\rho)=0$, $0\leq\rho\leq n_{*}$, and $\\{v_{\sigma_{*}}(\rho)|\rho\geq n_{*}+1\\}$ satisfy an effective $m_{s}=0$ moment equation. Refer to Eq.(38). $N$ $E_{8}$ $E_{10}$ $E_{12}$ $E_{14}$ $V(x)=x^{6}+\sqrt{8}x^{4}-13x^{2}$, $n_{*}=3,\sigma_{*}=0$ 5 48.394656 6 47.671288 72.503581 7 47.617135 69.537633 101.036761 8 47.613461 69.101670 94.571123 133.727067 9 47.613226 69.049273 93.118330 122.972492 10 47.613211 69.044300 92.864698 119.986303 11 47.613211 69.044199 92.856805 119.850391 Table 6: OPPQ-$\Phi$ determination of non-QES states (of $\sigma_{*}$ symmetry) computed by taking $v_{\sigma_{*}}(\rho)=0$, $0\leq\rho\leq n_{*}$, and $\\{v_{\sigma_{*}}(\rho)|\rho\geq n_{*}+1\\}$ satisfy an effective $m_{s}=0$ moment equation. Refer to Eq.(38). $N$ $E_{9}$ $E_{11}$ $E_{13}$ $E_{15}$ $V(x)=x^{6}+\sqrt{8}x^{4}-15x^{2}$, $n_{*}=3,\sigma_{*}=1$ 5 55.531291 6 54.750410 80.668061 7 54.690840 77.512874 110.194217 8 54.686737 77.041110 103.388049 143.814626 9 54.686468 76.982602 101.807743 132.398420 10 54.686447 76.974990 101.398734 127.471438 Table 7: Moment Equation Structure for Sextic Anharmonic Potential for V(x) = “QES Type” (QES) or “not of QES Type” (N-QES); $\Phi_{\sigma}(x)=$ QES or N-QES. Refer to Eq.(38). $V(x)$ $\Phi_{\sigma}$ $\Phi_{\sigma}(x)$-type $v_{\sigma}(\rho)$ $m_{s}$ $v_{\sigma}(\rho)$ $m_{s}$ N-QES $\sigma=0,1$ N-QES $\\{v_{\sigma}(\rho)|\rho\geq 0\\}$ 0 QES $\sigma\neq\sigma_{*}$ N-QES $\\{v_{\sigma}(\rho)|\rho\geq 0\\}$ 0 QES $\sigma=\sigma_{*}$ N-QES $\\{v_{\sigma_{*}}(\rho)|\rho\geq n_{*}+1\\}^{a}$ 0 $\\{v_{\sigma_{*}}(\rho)=0|\rho\leq n_{*}\\}^{a}$ QES $\sigma=\sigma_{*}$ QES $\\{v_{\sigma_{*}}(\rho)|\rho\geq n_{*}+1\\}^{b}$ 1 $\\{v_{\sigma_{*}}(\rho)\neq 0|\rho\leq n_{*}\\}^{b}$ 0 aApplication of OPPQ recovers non-QES energies given in Tables 5 and 6. b Application of OPPQ (instead of Eq.(43)) gives exact QES energies, $N\geq d+1$; and the non-QES energies in the $N\rightarrow\infty$ limit. ### 4.3 Defining the 3-Term Recursive Relation for the Bender-Dunne Energy- Polynomials For the $m_{s}=0$ cases indicated in Table 7, the indicated $v_{\sigma}(\rho)$ moments are polynomials in the energy and satisfy a three term recursion. One can readily transform all of these cases into the Bender-Dunne (monic) polynomials, although the more interesting case is for the QES states, for comparison purposes within our formulation. For future reference, we define the coefficient functions in Eq.(38): $\displaystyle C_{\sigma;1}(m,b,g;\rho+1)$ $\displaystyle=$ $\displaystyle m-{{b^{2}}\over{4g}}+\sqrt{g}(4\rho+3+2\sigma),$ $\displaystyle C_{\sigma;0}(E,b,g;\rho)$ $\displaystyle=$ $\displaystyle E-{b\over{\sqrt{g}}}(2\rho+{1\over 2}+\sigma),$ $\displaystyle C_{\sigma:-1}(\rho-1)$ $\displaystyle=$ $\displaystyle 2\rho(2\rho-1+2\sigma).$ No potential function parameters can lead to $C_{\sigma;1}=0$ for two sets of $(\rho,\sigma)$ values. To do so would require $(\rho_{2}-\rho_{1})=-{1\over 2}(\sigma_{2}-\sigma_{1})$, which is impossible for integer differences. Define the (non-monic) polynomials. $\displaystyle P_{\sigma}^{(\rho)}(E)\equiv C_{\sigma;1}(m,b,g;\rho)\ v_{\sigma}(\rho).$ (45) If the potential function parameters satisfy $C_{\sigma;1}(m,b,g;\rho)\neq 0$, for all $\rho$’s and $\sigma$’s, then these will satisfy the three term recursion relation: $\displaystyle P_{\sigma}^{(\rho+1)}(E)=$ $\displaystyle{{(E-{b\over{\sqrt{g}}}(2\rho+{1\over 2}+\sigma))}\over{C_{\sigma;1}(m,b,g;\rho)}}P_{\sigma}^{(\rho)}(E)$ (46) $\displaystyle+{{2\rho(2\rho-1+2\sigma)}\over{C_{\sigma;1}(m,b,g;\rho-1)}}P_{\sigma}^{(\rho-1)}(E),$ for $0\leq\rho<\infty$. If the potential function parameters satisfy the QES conditions for a particular $(n_{*},\sigma_{*})$ pair, then Eq.(46) is valid only for $0\leq\rho\leq n_{*}$. Based on choosing $v_{\sigma}(0)=1$, the corresponding zeroth order polynomial becomes $P_{\sigma}^{(0)}(E)=C_{\sigma;1}(m,b,g;0)$. We can always choose $v_{\sigma}(0)$ to give us the desired normalization for $P_{\sigma}^{(0)}(E)$. The three term recursion relation in Eq.(46) does not correspond to a three term relation for monic (orthogonal ) polynomials. To do so requires the modifications discussed in the context of Eq.(18). Specifically, let ${\tilde{P}}_{\sigma}^{(\rho)}=f_{\rho}P_{\sigma}^{(\rho)}$ denote the monic form. Define $\beta_{\rho}\equiv{{f_{\rho+1}}\over f_{\rho}}$ and $f_{\rho+1}=C_{\sigma;1}(m,b,g;\rho)f_{\rho}$. Let ${\tilde{\alpha}}_{\rho+1}={b\over{\sqrt{g}}}(2\rho+{1\over 2}+\sigma)$, and ${\tilde{\gamma}}_{\rho}=-2\rho(2\rho-1+2\sigma)\beta_{\rho}$. Then the monic form of Eq.(46) becomes: ${\tilde{P}}^{(\rho+1)}_{\sigma}(E)=(E-{\tilde{\alpha}}_{\rho+1}){\tilde{P}^{(\rho)}}_{\sigma}(E)-{\tilde{\gamma}}_{\rho}{\tilde{P}}^{(\rho-1)}_{\sigma}(E).$ (47) Since $f_{n_{*}+1}=\big{(}\Pi_{i=0}^{n_{*}}C_{\sigma_{*};1}(m,b,g;i)\big{)}f_{0}$, and the QES parameter conditions correspond to $C_{\sigma_{*};1}(m,b,g;n_{*}+1)=0$, we see that the above monic form is valid for the QES states. Also, ${\tilde{\gamma}}_{n_{*}+1}=0$ which tells us that $\langle{\tilde{P}}^{(n_{*}+1)}_{\sigma_{*}}|{\tilde{P}}^{(n_{*}+1)}_{\sigma_{*}}\rangle=0$. ## 5 Quantization of QES and Non-QES States via OPPQ-$\Phi$ Whereas the OPPQ-$\Psi$ formulation involved an $m_{s}=2$ moment equation, its structure does not change regardless of the QES or non-QES character of the solution. That is, the same computational (numerical and algebraic) procedure generates either type of state. However, in the present OPPQ-$\Phi$ formulation, the varying nature of the missing moment order, $m_{s}$, as given in Table 7, results in various OPPQ representations, as detailed below. Let $V_{sa}(x)=gx^{6}+bx^{4}+mx^{2}$ be the potential function. In the first two cases given in Table 7, ($V_{sa}$ of non-QES type, or $\sigma\neq\sigma_{*}$ non-QES solutions for $V_{sa}$ of QES type) the moment equation is of uniform $m_{s}=0$ order for $\\{v_{\sigma}(\rho)|\rho\geq 0\\}$. The resulting OPPQ determinant is $1\times 1$, corresponding to a pure energy polynomial whose roots generate all the discrete state energies in the $N\rightarrow\infty$ limits. If $V_{sa}(x)$ is of QES type, then for the QES parity class, $\sigma=\sigma_{*}$, both non-QES and QES states have the same moment equation. However, for the non-QES states, all moments of order no greater than $n_{*}$ will be zero, $v_{\sigma_{*}}(\rho)=0$, if $\rho\leq n_{*}$. The remaining moments, $\\{v_{\sigma_{*}}(\rho)|\rho\geq n_{*}+2\\}$, linearly depend on $v_{\sigma_{*}}(n_{*}+1)$. This is also an effective $m_{s}=0$ relation; and the OPPQ determinant is a $1\times 1$ energy dependent polynomial. Application of OPPQ yields the non-QES energies, as shown in Tables 5 and 6. For the QES states, the moments $\\{v_{\sigma_{*}}(\rho)|\rho\geq n_{*}+2\\}$ become linearly dependent on $\\{v_{\sigma_{*}}(n_{*}+1),v_{\sigma_{*}}(n_{*})\\}$ defining an $m_{s}=1$ moment equation; however, since $v_{\sigma_{*}}(n_{*})$ is linearly dependent on $v_{\sigma_{*}}(0)\neq 0$, the $\\{v_{\sigma_{*}}(\rho)|\rho\geq n_{*}+2\\}$ become linearly dependent on $\\{v_{\sigma_{*}}(n_{*}+1),v_{\sigma_{*}}(0)\\}$. We summarize the moment equation structure in Table 8. Table 8: Missing Moment Structure for Sextic Anharmonic Potential for V(x) = “QES Type” (QES) or “not of QES Type” (N-QES); $\Phi_{\sigma}(x)=$ QES or N-QES. Refer to Eq.(38). $V(x)$ $\Phi_{\sigma}$ $\Phi_{\sigma}(x)$-type $v_{\sigma}(\rho)$ $\rho\in[a,b]$ N-QES $\sigma=0,1$ N-QES $v_{\sigma}(\rho)=M_{E,\sigma}(\rho,0)v_{\sigma}(0)$ $[0,\infty)$ QES $\sigma\neq\sigma_{*}$ N-QES $v_{\sigma}(\rho)=M_{E,\sigma}(\rho,0)v_{\sigma}(0)$ $[0,\infty)$ QES $\sigma=\sigma_{*}$ N-QES $v_{\sigma_{*}}(\rho)=0$ $[0,n_{*}]$ QES $\sigma=\sigma_{*}$ N-QES $v_{\sigma_{*}}(\rho)=M_{E,{\sigma_{*}}}(\rho,n_{*}+1)v_{\sigma_{*}}(n_{*}+1)$ $[n_{*}+1,\infty)$ QES $\sigma=\sigma_{*}$ QES $v_{\sigma_{*}}(\rho)=M_{E,\sigma_{*}}(\rho,0)v_{\sigma_{*}}(0)$ $[0,n_{*}]$ QES $\sigma=\sigma_{*}$ QES $v_{\sigma_{*}}(\rho)=\pmatrix{M_{E,{\sigma_{*}}}(\rho,n_{*}+1)v_{\sigma_{*}}(n_{*}+1)\cr+M_{E,{\sigma_{*}}}(\rho,0)v_{\sigma_{*}}(0)\cr}$ $[n_{*}+1,\infty)$ Within OPPQ-$\Phi$ we must work with the orthonormal polynomials of ${\cal W}(x)\equiv{\cal A}^{2}(x)$, where ${\cal A}(x)$ is defined in Eq.(33). The asymptotic exponential form of all the physical states, within the $\Phi$ representation, is given by ${\cal W}(x)$. For the general even and odd parity states ($\sigma=0,1$), the OPPQ representation becomes $\displaystyle\Phi_{\sigma}(x)=\sum_{j=0}^{\infty}\Omega_{j}x^{\sigma}{\cal O}^{(j)}_{\sigma}(x^{2}){\cal W}(x),$ (48) where $x^{\sigma}{\cal O}^{(j)}_{\sigma}(x^{2})$ represent the even and odd orthonormal polynomials of the weight ${\cal W}(x)$, $\langle x^{\sigma}{\cal O}^{(j_{1})}_{\sigma}|{\cal W}|x^{\sigma}{\cal O}^{(j_{2})}_{\sigma}\rangle=\delta_{j_{1},j_{2}}$. We represent them as ${\cal O}^{(j)}_{\sigma}(x^{2})=\sum_{i=0}^{j}\Xi_{\sigma;i}^{(j)}x^{2i}$. The expansion coefficients are given by $\displaystyle\Omega_{j}=$ $\displaystyle\int dx\ x^{\sigma}{\cal O}^{(j)}_{\sigma}(x^{2})\Phi_{\sigma}(x),$ $\displaystyle\Omega_{j}=$ $\displaystyle\sum_{i=0}^{j}\Xi_{\sigma;i}^{(j)}v_{\sigma}(i).$ (49) Depending on which case is considered, as summarized in Table 8, the $\\{v_{\sigma}(i)\\}$ moments will be linearly dependent either on $v_{\sigma}(0)$ (i.e. cases 1 and 2), $v_{\sigma}(n_{*}+1)$ (i.e. case 3, in which $v_{\sigma_{*}}(\leq n_{*})=0$), or on both (for the QES states). We can represent each of these by (using the notation in Table 7 and 8) $\displaystyle\Omega_{j}=$ $\displaystyle\sum_{\ell=0}^{m_{s}=0,1}\Big{(}\sum_{i=0}^{j}\Xi_{\sigma;i}^{(j)}M_{E,\sigma}\big{(}i,\ell(n_{*}+1)\big{)}\Big{)}v_{\sigma}\big{(}\ell(n_{*}+1)\big{)}.$ (50) Quantization corresponds to setting $\Omega_{N+\ell}\big{(}v_{\sigma}(0),v_{\sigma}(m_{s}(n_{*}+1))\big{)}=0$, for $0\leq\ell\leq m_{s}$, and $N\rightarrow\infty$, resulting in the determinantal condition (either $1\times 1$ or $2\times 2$) $\displaystyle D_{N}(E)=Det\Big{(}{\cal M}_{\ell_{1},\ell_{2}}(E;N)\Big{)}=0,$ (51) where ${\cal M}_{\ell_{1},\ell_{2}}(E,N)=\sum_{i=0}^{N+\ell_{1}}\Xi_{\sigma;i}^{(N+\ell_{1})}M_{E,\sigma}(i,\ell_{2}(n_{*}+1))$, where $0\leq\ell_{1,2}\leq m_{s}\ (0\ or\ 1)$. Non-QES-Potentials For case 1 in Table 8, $m_{s}=0$ and $D_{N}(E)$ corresponds to the determinant of a $1\times 1$ matrix. The OPPQ-$\Phi$ analysis will generate rapidly converging approximants to the true physical values. The results of this are not given here, but are in keeping with Tables 3 and 4. Non-QES states for QES-Potentials If the potential function parameters satisfy the QES conditions, let the non- QES states be represented as $\Phi_{\sigma}(x)$. If $\sigma\neq\sigma_{*}$, then the previous case applies and the corresponding moment equation is of $m_{s}=0$ form. If $\sigma=\sigma_{*}$, then the non-QES states must have $v_{\sigma_{*}}(\rho)=0$ for $0\leq\rho\leq n_{*}$. Only the moments $\\{v_{\sigma_{*}}(\rho)|\rho\geq n_{*}+1\\}$ are nonzero, and satisfy an effective $m_{s}=0$ relation. One can apply OPPQ on the nonzero moments: $\displaystyle v_{\sigma_{*}}(\rho)=M_{E,\sigma_{*}}(\rho,n_{*}+1)\ v_{\sigma_{*}}(n_{*}+1),\ \rho\geq n_{*}+1;$ $\displaystyle\sum_{i=n_{*}+1}^{N}\Xi_{N;i}^{(N)}M_{E,\sigma}(i,n_{*}+1)=0,N\geq n_{*}+2,\ the\ OPPQ\ condition.$ The results are given in Tables 5 and 6. QES states: Approach- I When the potential function parameters do satisfy the QES constraints, then the QES state energies are determined from Eq.(43). The $\\{v_{\sigma_{*}}(\rho)|0\leq\rho\leq n_{*}\\}$ moments are determined from $v_{\sigma_{*}}(0)\neq 0$ (which can be normalized arbitrarily) . The higher order moments $\\{v_{\sigma_{*}}(\rho)|\rho\geq n_{*}+1\\}$ are determined by the exact (OPPQ) identities $\displaystyle\int dx\ x^{\sigma_{*}}{\cal O}_{\sigma}^{(n_{*}+q)}(x^{2})\Phi_{\sigma}(x)=0,\ for\ q\geq 1,$ $\displaystyle\sum_{i=0}^{n_{*}+q}\Xi_{\sigma_{*};i}^{(n_{*}+q)}v_{\sigma_{*}}(i)=0$ $\displaystyle v_{\sigma_{*}}(n_{*}+q)=-{1\over{\Xi_{\sigma;n_{*}+q}^{(n_{*}+q)}}}\sum_{i=0}^{n_{*}+q-1}\Xi_{\sigma_{*};i}^{(n_{*}+q)}v_{\sigma_{*}}(i).$ (53) QES states: Approach- II An alternative approach is to not determine the QES states from Eq.(41) but actually use the moment equation in Eq.(38) to generate linear constraints amongst the $\\{v_{\sigma}(\rho)|0\leq\rho\leq n_{*}\\}$ (i.e. they all depend on $v_{\sigma}(0)$), and amongst the $\\{v_{\sigma}(\rho)|\rho\geq n_{*}+2\\}$ with respect to the $\\{v_{\sigma}(0),v_{\sigma}(n_{*}+1)$ moments (i.e. the linear dependence will be derived below). This is represented in Eq.(50). We now focus on deriving its form and applying OPPQ to it. ### 5.1 QES Potential and Arbitrary (QES or non-QES) States: Generating the $v_{\sigma_{*}}(\rho)$ moments for $\rho\geq n_{*}+2$ We now consider the moment equation for the QES-potential case and for all states of the QES symmetry class $\sigma=\sigma_{*}$. Our primary motivation is to show that OPPQ-$\Phi$ will recover the exact QES energies, for all $N\geq d+1$, with respects to the $\\{v_{\sigma_{*}}(\rho)|\rho\geq n_{*}+1\\}$ moments. This corresponds to an $m_{s}=1$ problem. However, in the $N\rightarrow\infty$ limit the OPPQ determinant (of the underlying $2\times 2$ matrix) also generates other energy roots not related to the QES states. These will correspond to the non-QES states, and exponentially converge to the true energies in the infinite limit. In this approach, we are ignoring that Eq.(43) also tells us that the QES states are the roots of the BD polynomials. As previously noted, the moment equation under the QES-potential condition in Eq.(41), and for the $\sigma_{*}$ parity states (QES or non-QES) does not have a uniform $m_{s}$ index. The first $n_{*}+1$ moments are linearly connected to $v_{\sigma_{*}}(0)$, thus defining an effective $m_{s}=0$ relationship; whereas all the other moment are linearly related to $\\{v_{\sigma_{*}}(n_{*}+1),v_{\sigma_{*}}(n_{*})\\}$, or equivalently $\\{v_{\sigma_{*}}(n_{*}+1),v_{\sigma_{*}}(0)\\}$; thereby defining an effective $m_{s}=1$ problem. We are explicitly not using the fact that for the non-QES states: ($v_{\sigma_{*}}(0)=0$. For simplicity, we further abbreviate the notation for the relevant coefficient functions: $\displaystyle{C}_{1}(\rho+1)=m-{{b^{2}}\over{4g}}+\sqrt{g}(4\rho+3+\sigma_{*})$ $\displaystyle{C}_{0}(\rho)=E-{b\over{\sqrt{g}}}(2\rho+{1\over 2}+\sigma_{*}),$ $\displaystyle{C}_{-1}(\rho-1)=2\rho(2\rho-1+2\sigma_{*}).$ The moment equation for the QES-symmetry class states (QES and non-QES states) then becomes: $\displaystyle v_{\sigma_{*}}(\rho+1)={{C_{0}(\rho)}\over{C_{1}(\rho+1)}}v_{\sigma_{*}}(\rho)+{{C_{-1}(\rho-1)}\over{C_{1}(\rho+1)}}v_{\sigma_{*}}(\rho-1),$ for $0\leq\rho\leq n_{*}-1$ and $\rho\geq n_{*}+1$, separately. The recursive nature of Eq.(55) for $0\leq\rho\leq n_{*}-1$ defines the relation $v_{\sigma_{*}}(\rho)=M_{E,\sigma_{*}}(\rho,0)v_{\sigma_{*}}(0),0\leq\rho\leq n_{*}.$ (56) From Eq.(55) we see that $v_{\sigma_{*}}(n_{*}+2)$ is generated through the linear superposition of$\\{v_{\sigma_{*}}(n_{*}+1),v_{\sigma_{*}}(n_{*})\\}$. In general, we can express all the $\\{v_{\sigma_{*}}(\rho)|\rho\geq n_{*}\\}$ moments in terms of the linear sum of $\\{v_{\sigma_{*}}(n_{*}),v_{\sigma_{*}}(n_{*}+1)\\}$: $\displaystyle v_{\sigma^{*}}(\rho)=M_{E,\sigma_{*}}(\rho,n_{*})v_{\sigma^{*}}(n_{*})+M_{E,\sigma_{*}}(\rho,n_{*}+1)v_{\sigma^{*}}(n_{*}+1),$ for $\rho\geq n_{*}$, where $\displaystyle M_{E,\sigma_{*}}(n_{*},n_{*})=1$ $\displaystyle M_{E,\sigma_{*}}(n_{*},n_{*}+1)=0$ $\displaystyle M_{E,\sigma_{*}}(n_{*}+1,n_{*})=0$ $\displaystyle M_{E,\sigma_{*}}(n_{*}+1,n_{*}+1)=1.$ Inserting Eq.(57) into Eq.(55), and making use of the independence of $\\{v_{\sigma^{*}}(n),v_{\sigma^{*}}(n+1)\\}$, gives: $\displaystyle M_{E,\sigma_{*}}(\rho+1,\ell)={{C_{0}(\rho)}\over{C_{1}(\rho+1)}}M_{E,\sigma_{*}}(\rho,\ell)+{{C_{-1}(\rho-1)}\over{C_{1}(\rho+1)}}M_{E,\sigma_{*}}(\rho-1,\ell),$ for $\rho\geq n_{*}+1$ and $\ell=n_{*},n_{*}+1$ subject to the initialization conditions in Eq.(58). Thus $M_{E,\sigma_{*}}(n_{*}+2,n_{*})={{C_{-1}(n_{*})}\over{C_{1}(n_{*}+2)}}$ and $M_{E,\sigma_{*}}(n_{*}+2,n_{*}+1)={{C_{0}(n_{*}+1)}\over{C_{1}(n_{*}+2)}}$, yielding $v_{\sigma^{*}}(n_{*}+2)={{C_{-1}(n_{*})}\over{C_{1}(n_{*}+2)}}v_{\sigma^{*}}(n_{*})+{{C_{0}(n_{*}+1)}\over{C_{1}(n_{*}+2)}}v_{\sigma^{*}}(n_{*}+1)$. Since $v_{\sigma_{*}}(n_{*})=M_{E,\sigma_{*}}(n_{*},0)v_{\sigma_{*}}(0)$, we have that $\displaystyle v_{\sigma_{*}}(\rho)$ $\displaystyle=$ $\displaystyle M_{E,\sigma_{*}}(\rho,n_{*})M_{E,\sigma_{*}}(n_{*},0)v_{\sigma^{*}}(0)+M_{E,\sigma_{*}}(\rho,n_{*}+1)v_{\sigma_{*}}(n_{*}+1),$ or $\displaystyle v_{\sigma_{*}}(\rho)$ $\displaystyle=$ $\displaystyle M_{E,\sigma_{*}}(\rho,0)v_{\sigma^{*}}(0)+M_{E,\sigma_{*}}(\rho,n_{*}+1)v_{\sigma_{*}}(n_{*}+1),\rho\geq n_{*}$ where $M_{E,\sigma_{*}}(\rho,0)=M_{E,\sigma_{*}}(\rho,n_{*})M_{E,\sigma_{*}}(n_{*},0)$. Also, it is implicitly understood that $M_{E,\sigma_{*}}(\rho,n_{*}+1)=0$ for $0\leq\rho\leq n_{*}$. Having defined Eq.(61), which effectively defines an $m_{s}=1$ moment recursion relation, we want to implement Eq.(51), the OPPQ condition. Let ${\cal M}_{E,\sigma_{*}}(N,\ell)=\sum_{i=0}^{N}\Xi^{(N)}_{\sigma_{*},i}M_{E,\sigma_{*}}(i,\ell)$ for $\ell=0,n_{*}+1$. The OPPQ determinant condition becomes $\displaystyle D_{N}(E)=Det\pmatrix{{\cal M}_{E,\sigma_{*}}(N,0)&{\cal M}_{E,\sigma_{*}}(N,n_{*}+1)\cr{\cal M}_{E,\sigma_{*}}(N+1,0)&{\cal M}_{E,\sigma_{*}}(N+1,n_{*}+1)}=0,$ for $N\geq n_{*}+1$. We know that the QES energies given by Eq.(43) must also satisfy Eq.(62), since it embodies the exact OPPQ conditions for these states. Therefore, the OPPQ determinant must factorize according to $\displaystyle D_{N}(E)=P^{(n_{*}+1)}_{\sigma_{*}}(E)\times Poly_{N,\sigma_{*}}^{(Non-QES)}(E),$ (63) for $N\geq n_{*}+1$. That is, the first polynomial factor is that for the QES states in Eq.(43). The second polynomial factor’s roots become the OPPQ converging approximants to the non-QES states. The numerical confirmation of this is given in Tables 9 and 10 where we compare the (exact) QES and non-QES energies generated through the above OPPQ analysis with the QES energies generated from the BD energy polynomial. Table 9: Comparison of QES and non-QES (of $\sigma_{*}$ symmetry) states computed through exact root formula $P^{n_{*}+1}_{\sigma_{*}}(E^{*})=0$ in Eq. (43) and OPPQ-$\Phi$ Applied to OPPQ-(polynomial) determinant in Eq.(62-63). No rounding off for QES energies. $N$ $E_{0}^{*}$ $E_{2}^{*}$ $E_{4}^{*}$ $E_{6}^{*}$ $E_{8}$ $E_{10}$ -4.701631 2.289850 13.186912 28.822848 NA NA $V(x)=x^{6}+\sqrt{8}x^{4}-13x^{2}$, $n_{*}=3,\sigma_{*}=0$ 4 -4.701631 2.289850 13.186912 28.822848 5 -4.701631 2.289850 13.186912 28.822848 49.879720 6 -4.701631 2.289850 13.186912 28.822848 47.994447 76.381590 7 -4.701631 2.289850 13.186912 28.822848 47.679059 70.953850 8 -4.701631 2.289850 13.186912 28.822848 47.624584 69.527914 9 -4.701631 2.289850 13.186912 28.822848 47.615172 69.156251 10 -4.701631 2.289850 13.186912 28.822848 47.613408 69.058368 11 -4.701631 2.289850 13.186912 28.822848 47.612358 68.924938 Table 10: Comparison of QES and non-QES (of $\sigma_{*}$ symmetry) states computed through exact root formula $P^{n_{*}+1}_{\sigma_{*}}(E^{*})=0$ in Eq. (43) and OPPQ-$\Phi$ Applied to OPPQ-(polynomial) determinant in Eq.(62-63). No rounding off of QES energies. $N$ $E_{1}^{*}$ $E_{3}^{*}$ $E_{5}^{*}$ $E_{7}^{*}$ $E_{9}$ $E_{11}$ -6.629227 4.618850 18.024593 34.897472 NA NA $V(x)=x^{6}+\sqrt{8}x^{4}-15x^{2}$, $n_{*}=3,\sigma_{*}=1$ 4 -6.629227 4.618850 18.024593 34.897472 5 -6.629227 4.618850 18.024593 34.897472 56.9465755 6 -6.629227 4.618850 18.024593 34.897472 55.0485775 84.3945915 7 -6.629227 4.618850 18.024593 34.897472 54.7454855 78.8505925 8 -6.629227 4.618850 18.024593 34.897472 54.6960975 77.4351185 9 -6.629227 4.618850 18.024593 34.897472 54.6881985 77.0885815 10 -6.629227 4.618850 18.024593 34.897472 54.6872425 77.0349865 11 -6.629227 4.618850 18.024593 34.897472 54.6873885 77.0356645 ## 6 The Configuration Space QES Analysis We want to contrast the previous moment QES formulation with the conventional configuration space analysis. Although the configuration space analysis is easier to implement, its major deficiency is that it does not immediately transfer to the non-QES states. That is, the Bender-Dunne factorization property for their polynomials does not give any immediate information about the non-QES states, in contrast to the OPPQ factorization property expressed in Eq.(63). This is primarily due to the inherent instability of the configuration space Hill determinant approach, which tries to quantize by imposing a truncation strategy to the ratio ${\Psi\over{\cal A}}={{\Phi}\over{{{\cal A}^{2}}}}=\sum_{j=0}^{\infty}a_{j}x^{j}$. Although the moment’s and configuration space representation generate the same QES- polynomials, the moment’s formulation naturally truncates the polynomials of degree greater than $n_{*}+1$ in Eq.(42) when defined in terms of the $v_{\sigma_{*}}(n)$’s; however, if the recursion relation in Eq.(46) is used, there is the misleading appearance that they can be defined up to degree $n_{*}+2$ based on the discussion pertaining to Eq.(47) (although $\tilde{\gamma}_{n_{*}+1}=0$). All this is because the moment equation decouples the $v_{\sigma_{*}}(n_{*}+1)$ from the lower order moments; while, all the higher order moments (i.e. $v_{\sigma_{*}}(\rho)$, $\rho\geq n_{\sigma_{*}}+1$) couple to $v_{\sigma_{*}}(0)$ and $v_{\sigma_{*}}(n_{*}+1)$. This is not the case for the configuration space generated energy polynomials. One can generate them to all orders, as given by the power series expansion $a_{j}$’s. The order of the recursion relation for the $a_{j}$’s stays the same (i.e. order one) regardless of the QES or non-QES nature of the state. Define the analytic function $P(x)={\Psi\over{\cal A}}={{\Phi}\over{{{\cal A}^{2}}}}=x^{\sigma_{*}}\sum_{i=0}c_{i}(E)x^{2i}$. The associated differential equation is: $\displaystyle-\partial_{x}^{2}P(x)+\big{(}{b\over{\sqrt{g}}}x+2\sqrt{g}x^{3}\big{)}\partial_{x}P(x)$ $\displaystyle+\ \Big{(}(m+3\sqrt{g}-{{b^{2}}\over{4g}})x^{2}-(E-{b\over{2\sqrt{g}}})\Big{)}P(x)=0,$ (64) resuting in: $\displaystyle(\sigma+2)(\sigma+1)c_{1}=\big{(}{b\over{\sqrt{g}}}({1\over 2}+\sigma)-E\big{)}c_{0},$ $\displaystyle 2(i+1)(2i+1+2\sigma)c_{i+1}=\big{(}{b\over{\sqrt{g}}}(2i+{1\over 2}+\sigma)-E\big{)}c_{i}$ $\displaystyle+\big{(}m-{{b^{2}}\over{4g}}+\sqrt{g}(4(i-1)+3+2\sigma)\big{)}c_{i-1},i\geq 1.$ The coefficients are polynomials in the energy. For the power series to naturally truncate we want $c_{I}(E)=0$ and the coeffieicnt of $c_{I-1}$ to be zero. This will make $c_{i+1}=0$ for all $i\geq I$. If we call $I=n_{*}+1$, we recover the QES condition on the parameter and $c_{n_{*}+1}(E)$ becomes proportional to $P_{\sigma_{*}}^{(n_{*}+1)}(E)$. We note that under the QES condition, since the coefficient of $c_{i-1}$ is zero, for $i=n_{*}+1$, the QES states correspond to $c_{n_{*}+1}(E)=0$. However, these will always be the zeroes for the higher order polynomials, $c_{i+1}(E)$, for $i\geq n_{*}+1$. More importantly, if the potential function parameters satisfy the QES conditions, all the $\\{c_{i}(E)|i\geq 0\\}$ polynomials can be generated through a recursive, first order, relation. This is not the case for the $v_{\sigma_{*}}(\rho)$ energy-polynomials, since they naturally truncate at $\rho=n_{*}$ . Furthermore, the finite order recursion relation for these moments is not of uniform order, as argued in the previous sections. If we move the $c_{i}$ term in Eq.(65) to the left hand side, we note that the recursive structure is the reverse of the moment equation in Eq.(38), in the sense defined below. $\displaystyle\pmatrix{m-{{b^{2}}\over{4g}}+\sqrt{g}(4\rho+3+2\sigma)\cr E-{b\over{\sqrt{g}}}(2\rho+{1\over 2}+\sigma)\cr 2\rho(2\rho-1+2\sigma)}\rightarrow\pmatrix{\rho\rightarrow&i-1\cr\rho\rightarrow&i\cr\rho\rightarrow&i+1}\rightarrow Coeff\pmatrix{c_{i-1}\cr c_{i}\cr c_{i+1}}.$ That is, the recursive structure of the $c_{i}$’s, for $0\leq i\leq n_{*}+1$, produces the polynomial $c_{n_{*}+1}(E)$, which is the same as that generated by the $v_{\sigma_{*}}(\rho)$, for $0\leq\rho\leq n_{*}$, and combined to produce the $P_{\sigma_{*}}^{(n_{*}+1)}(E)$ polynomial in Eqs.(42-43). ## 7 The Bender-Dunne Sextic Potential We now consider the original Bender-Dunne Hamiltonian (with potential $V_{BD}$) $\displaystyle H=-\partial_{x}^{2}+{b\over{x^{2}}}+mx^{2}+x^{6},$ $\displaystyle b={1\over 4}(4s-1)(4s-3),$ $\displaystyle m=-(4s+4J-2).$ (67) The wavefunction must assume the form $\Psi(x)=x^{\gamma}A(x^{2})$, near the origin. Since the probability density must be integrable it follows that $\gamma>-{1\over 2}$. The indicial equation gives $\gamma^{2}-\gamma-b=0$, or $\gamma={{1\pm(4s-2)}\over 2}$. We take $\gamma=2s-{1\over 2}$. Note that $A(x^{2})$ suggests an analytic function of $x^{2}$ whreas ${\cal A}(x)$, as given below, corresponds to the leading asymptotic exponential form of the solution. The QES states should assume the form: $\Psi(x)=x^{\gamma}P_{d}(x^{2}){\cal A}(x)$, where the physical asymptotic factor is ${\cal A}(x)=e^{-{{x^{4}}\over 4}}$. There are only two ways to confirm this, algebraically. One is to implement the Hill representation truncation analysis to determine if such solutions exist. The other is to establish the existence of a $\Phi(x)={\cal A}(x)\Psi(x)$ representation whose $\nu$-moment equation confirms the existence of such solutions, as was done for the sextic anharmonic oscillator potential in the previous sections. Within the $\Psi$ representation, an asymptotic analysis can suggest the potential function parameter constraints consistent with a QES type of solution. Tailoring the asymptotic analysis in Eq.(25) to the explict form of the BD potential yields $\Psi(x)\sim x^{\delta}exp(-{1\over 4}x^{4})$, where $\delta=-{{(m+3)}\over 2}$. Here $\delta=\gamma+2d$, since $P_{d}(x^{2})$ is a polynomial of degree $2d$. That is,‘ A Hill representation truncation analysis for ${{\Psi(x)}\over{x^{\gamma}{\cal A}(x)}}\equiv C(x^{2})=\sum_{i=0}^{\infty}c_{i}(E)x^{2i}$ gives $\displaystyle c_{0}=1$ $\displaystyle c_{1}(E)=-{{E}\over{4\gamma+2}}c_{0}$ $\displaystyle c_{i+1}(E)={{-ec_{i}(E)+(2\gamma+m+4i-1)c_{i-1}(E)}\over{(i+1)(4\gamma+4i+2)}},i\geq 1.$ We see that if $\displaystyle 4n_{*}+2\gamma+m+3=0,\ or\ J=n_{*}+1,$ $\displaystyle c_{n_{*}+1}(E)=0,$ (70) determines the QES states; and $C(x^{2})=Polynomial\ of\ degree\ x^{2n_{*}}\equiv P_{n_{*}}(x^{2})$. That is $d=n_{*}$, or $\gamma+2n_{*}=-{{(m+3)}\over 2}$, consistent with the $\Psi$-asymptotic analysis above. As in the OPPQ-$\Psi$ analysis, we could develop a moment equation for $\Psi$, retaining the indicial exponent. However, one’s first inclination is to strip the indicial factor, in order to generate a less complicated analysis. We will do so for illustrative purposes, only. As we shall see, stripping the indicial factor is incorrect: the Bessis representation is obtained by not only keeping the indicial factor but further enhancing it by an additional indicial factor: $\Phi(x)=\Psi(x)x^{\gamma}{\cal A}(x)$, or $\Phi(x)=P_{d}(x^{2})x^{2\gamma}{\cal A}^{2}(x)$. We note that the latter is multiplying $\Psi(x)$ by its leading asymptotic form as $x\rightarrow\infty$ as well as $x\rightarrow 0$. Before examining the Bessis representation, we implement OPPQ on two representations. The first of these involves stripping the wavefunction of the indicial factor: $A(x^{2})=x^{-\gamma}\Psi(x)$. The second will be to enhance this by multiplying by the physical (exponentially decaying) asymptotic form, ${\tilde{\Phi}}(x^{2})=x^{-\gamma}\Psi(x){\cal A}(x^{2})$. For the first case, we work with the even power moments of $A(x^{2})$: $u(\rho)\equiv\int_{0}^{\infty}dxx^{2\rho}A(x^{2})$. The relevant differential equation is $\displaystyle-\partial_{x}^{2}A-{{2\gamma}\over x}\partial_{x}A+(mx^{2}+x^{6})A=EA.$ (71) Upon multiplying both sides by $x^{2\rho+2}$ and integrating by parts we obtain the moment equation $\displaystyle u(\rho+4)=-mu(\rho+2)+Eu(\rho+1)+2(\rho+1-\gamma)(2\rho+1)u(\rho),\rho\geq 0.$ The missing moment structure $m_{s}=3$, resulting in $u(\rho)=\sum_{\ell=0}^{3}M_{E}(\rho,\ell)\ u(\ell)$. The OPPQ analysis is done with respects to the representation $A(x^{2})=\sum_{j=0}^{\infty}\Omega_{j}{\cal P}^{(j)}(x){\cal A}(x)$. The data in Table 11 gives the results for $n_{*}=3,J=n_{*}+1=4,s=1$. We emphasize that our objective is not to show the full convergence of the non-QES states, which becomes manifest at higher orders (i.e. $N\rightarrow\infty$), but to suggest the veracity of our OPPQ analysis as applied to both QES and non-QES states. Table 11: Comparison of QES and non-QES states computed through exact root formula $c_{4}(E)=0$ in Eq. (70) and OPPQ-($x^{-\gamma}\Psi$) for $m_{s}=3$ moment equation in Eq.(72). Parameters $s=1$, $J=n_{*}+1$, and $n_{*}=3$. $N$ $E_{0}^{*}$ $E_{1}^{*}$ $E_{2}^{*}$ $E_{3}^{*}$ $E_{4}$ $E_{5}$ -20.926277 -6.487752 +6.487752 +20.926277 NA NA $V(x)=x^{6}+mx^{2}+{b\over{x^{2}}}$, $b=3/2$, m = -18 1 -17.752051 2 -23.465769 -5.699531 3 -20.857859 -8.880996 4.319160 4 -20.926277 -6.487752 6.487752 20.926277 5 -20.926277 -6.487752 6.487752 20.926277 52.309013 6 -20.926277 -6.487752 6.487752 20.926277 41.490341 94.456407 7 -20.926277 -6.487752 6.487752 20.926277 38.426546 71.311307 8 -20.926277 -6.487752 6.487752 20.926277 37.787371 61.916009 9 -20.926277 -6.487752 6.487752 20.926277 37.839537 58.167011 36 38.002392718 57.536940282 The second OPPQ analysis is done on ${\tilde{\Phi}}(x^{2})=x^{-\gamma}\Psi(x)exp(-{{x^{4}}\over 4})$, which involves the previous representation multiplied by an additional exponential asymptotic form. We obtain the differential equation for ${\tilde{\Phi}}(x^{2})$ $\displaystyle x\partial_{x}^{2}{\tilde{\Phi}}+2\big{(}\gamma+x^{4}\big{)}\partial_{x}{\tilde{\Phi}}+(2\gamma-m+3\big{)}x^{3}{\tilde{\Phi}}+Ex{\tilde{\Phi}}=0.$ Upon multiplying both sides by $x^{2\rho+1}$, and defining $u(\rho)=\int dx\ x^{2\rho}{\tilde{\Phi}}(x^{2})$, we obtain the moment equation: $\displaystyle\big{(}4\rho-2\gamma+m+7\big{)}u(\rho+2)=Eu(\rho+1)+2(2\rho+1)(\rho+1-\gamma)u(\rho),\rho\geq 0.$ So long as $\gamma\neq integer$, we can generate all the power moments and pursue OPPQ for generating the exact QES and (converging) approximate non-QES. The OPPQ representation in this case is ${\tilde{\Phi}}(x)=\sum_{j=0}^{\infty}\Omega_{j}{\cal O}^{(j)}(x){\cal A}^{2}(x)$, where ${\cal O}^{(j)}(x)$ are the orthonormal polynomials of ${\cal A}^{2}(x)$. The results are given in Table 12. The convergence of the non-QES is much faster. The above moment equation almost suggests the manifest existence of QES solutions. However it is not a three term recursion relation, since the effective missing moment order is $m_{s}=1$. A third OPPQ analysis (the Bessis representation) is possible on a somewhat different moment equation formulation. Consider $\Phi(x)=\Psi(x)x^{\gamma}exp(-{{x^{4}}\over 4})$. This is no longer an analytic function at the origin: $\Phi(x)\approx O(x^{2\gamma})$, recall $\gamma>-{1\over 2}$. The differential equation is that of Eq.(73) with $\gamma\rightarrow-\gamma$, plus an additional term (due to a variant on the indicial equation) yielding: $\displaystyle x\Phi^{\prime\prime}(x)+2\big{(}-\gamma+x^{4}\big{)}\Phi^{\prime}(x)+(-2\gamma-m+3\big{)}x^{3}\Phi(x)+Ex\Phi(x)+2{\gamma\over x}\Phi(x)=0.$ If we multiply by $x^{2\rho+1}$ and integrate over the nonnegative real axis, (i.e. $\int_{\epsilon}^{\infty}dx$ , $\epsilon\rightarrow 0^{+}$) we obtain $\displaystyle\int_{\epsilon}^{\infty}dx\ x^{2\rho+1}\Big{(}Eq.(75))\Big{)}=$ $\displaystyle-\Big{(}\big{(}2\epsilon^{2\rho+5}-2(\gamma+\rho+1)\epsilon^{2\rho+1}\big{)}\Phi(\epsilon)+\epsilon^{2\rho+2}\Phi^{\prime}(\epsilon)\Big{)}$ $\displaystyle+\int_{\epsilon}^{\infty}dx\Big{(}(\rho+1)\big{(}4\rho+2+4\gamma\big{)}x^{2\rho}+Ex^{2\rho+2}\Big{)}\Phi(x)$ $\displaystyle-\int_{\epsilon}^{\infty}dx\Big{(}4\rho+2\gamma+m+7\Big{)}x^{2\rho+4}\Phi(x).$ Since $\Phi(\epsilon)=\epsilon^{2\gamma}(1+O(\epsilon^{2}))$, $\Phi^{\prime}(\epsilon)=2\gamma\epsilon^{2\gamma-1}+2(\gamma+1)O(\epsilon^{2\gamma+1})$, the first term in Eq.(76) vanishes in the zero limit : $\lim_{\epsilon\rightarrow 0}\Big{(}\big{(}2\epsilon^{2\rho+5}-2(\gamma+\rho+1)\epsilon^{2\rho+1}\big{)}\Phi(\epsilon)+\epsilon^{2\rho+2}\Phi^{\prime}(\epsilon)\Big{)}=0$, for $\rho\geq-1$ and $\gamma>-{1\over 2}$. Additionally, the integral expressions are finite for $\rho\geq-1$. We therefore we have the following moment equation, valid for $\gamma>-{1\over 2}$ and $\rho\geq-1$, where $\nu(p)\equiv\int_{0}^{\infty}dx\ x^{p}\Phi$: $\displaystyle\big{(}4\rho+2\gamma+m+7\big{)}\nu(\rho+2)=E\nu(\rho+1)+(\rho+1)\big{(}4\rho+2+4\gamma\big{)}\nu(\rho),\rho\geq-1.$ or $(\rho\rightarrow\rho+1)$: $\displaystyle\big{(}4\rho+2\gamma+m+3\big{)}\nu(\rho+1)=E\nu(\rho)+\rho\big{(}4\rho-2+4\gamma\big{)}\nu(\rho-1),\rho\geq 0.$ This is also a three term recursion relation in which the QES potential function conditions are manifest. That is, if $\gamma+{{m+3}\over 2}=-2n_{*}$, where $\gamma=2s-{1\over 2}$, then only the first $n_{*}+1$ moments can be generated $\\{\nu(\rho)|0\leq\rho\leq n_{*}\\}$, all defining an effective $m_{s}=0$ missing moment problem in which the corresponding moments become polynomials in the energy (i.e. $\nu(0)=1$), $\nu(\rho)=Polynomial\ of\ degree\ \rho\ in\ E$. The non-QES states must have these first $n_{*}+1$ moments identically zero: $\displaystyle\nu_{QES}(\rho)\neq 0,0\leq\rho\leq n_{*},$ $\displaystyle\nu_{non-QES}(\rho)=0,0\leq\rho\leq n_{*},\ if\ V_{BD}\ admits\ QES\ states.$ (79) As in the sextic anharmonic oscillator case, the $\nu(n_{*}+1)$ moment decouples from the moment equation. We can repeat all the different types of OPPQ computational implementations done for the sextic anharmonic oscillator; however, we are only interested in repeating the OPPQ computational analysis that uniformly generates the QES and the non-QES states. As in the sextic anharmonic oscillator case, if the $V_{BD}$ potential admits QES states, then the $\\{\nu(\rho)|\rho\geq n_{*}+2\\}$ moments couple to the $\\{\nu(n_{*}+1),\nu(n_{*})\\}$ moments, through an effective $m_{s}=1$ recursion relation. However, $\nu(n_{*})$ couples to all the lower order moments through an $m_{s}=0$ recursion relation. Therefore, the $\\{\nu(\rho)|\rho\geq n_{*}+2\\}$ effectively couple, through an $m_{s}=1$ relation, to $\\{\nu(n_{*}+1),\nu(0)\\}$ . We can apply OPPQ on this relation and uniformly obtain the QES and non-QES states. That is, we are not using the BD energy polynomials,these are contained within the OPPQ conditions. The following discussion defines the necessary relation connecting the $\\{\nu(\rho)|\rho\geq n_{*}+2\\}$ moments to the $\\{\nu(n_{*}+1),\nu(0)\\}$ moments. Within the Bessis representation $\Phi(x)=\Psi(x)x^{\gamma}{\cal A}(x)$, ${\cal A}(x)=e^{-{x^{4}}\over 4}$, the OPPQ representation becomes $\Phi(x)=\sum_{j=0}^{\infty}\Omega_{j}{\cal Q}^{(j)}(x)x^{2\gamma}{\cal A}^{2}(x)$, where the ${\cal Q}^{(j)}(x)$ are the orthonormal polynomials of ${\cal B}(x)\equiv x^{2\gamma}{\cal A}^{2}(x)$. We will work on the half real axis in terms of the $x^{2}$ variable. We make explicit this $x^{2}$ dependence, $\Phi(x)\rightarrow\Phi(x^{2})$, ${\cal A}(x)\rightarrow{\cal A}(x^{2})$, ${\cal B}(x)\rightarrow{\cal B}(x^{2})$, and ${\cal Q}^{(j)}(x)\rightarrow{\cal Q}^{(j)}(x^{2})$. Define ${\cal A}_{\sigma}(x^{2})=exp(-{{x^{4}}\over{\sigma}})$, where $\sigma=2$. The orthonormality property for the ${\cal Q}^{(j)}(x^{2})$’s becomes $\int_{0}^{\infty}dx{\cal Q}^{(j_{1})}(x^{2}){\cal Q}^{(j_{2})}(x^{2}){\cal B}(x^{2})=\int_{0}^{\infty}\ d\xi{\cal Q}^{(j_{1})}(\xi){\cal Q}^{(j_{2})}(\xi){{{\cal B}(\xi)}\over{2\sqrt{\xi}}}=\delta_{j_{1},j_{2}}$, where $\xi=x^{2}$. These orthonormal polynomials are generated from the moments $m(\rho)=\int_{0}^{\infty}d\xi\xi^{\rho}{{{\cal B}(\xi)}\over{2\sqrt{\xi}}}$. The weight becomes ${{{\cal B}(\xi)}\over{2\sqrt{\xi}}}={{\xi^{\gamma-{1\over 2}}}\over 2}\exp(-{{\xi^{2}}\over{\sigma}})$. Recalling that $\gamma=2s-{1\over 2}$, we obtain $m(\rho)={1\over 2}\int d\xi\xi^{\rho+2s-1}\exp(-{{\xi^{2}}\over{\sigma}})={1\over 4}\int d\zeta\zeta^{{\rho\over 2}+s-1}exp(-{{\zeta}\over{\sigma}})={1\over 4}2^{{\rho\over 2}+s}\Gamma({\rho\over 2}+s)$, having set ${\sigma}=2$. This enables us to generate the orthogonal polynomials, ${\cal Q}^{(j)}(\xi)=\sum_{i=0}^{j}\Xi_{i}^{(j)}\xi^{i}$. We now repeat the OPPQ analysis we did for the sextic anharmonic oscillator. The $\\{\nu(\rho)|0\leq\rho\leq n_{*}\\}$ moments satisfy an $m_{s}=0$ moment equation regardless of the nature of the discrete state. This is true for the QES states. This is true for the non-QES states when the potential function satisfies the QES condition; although in this case, they are identically zero (in the following analysis we do not impose this, but it will be the result as the OPPQ quantization order goes to infinity, $N\rightarrow\infty$). If the potential function does not satisfy the QES conditions, then all the states satisfy an $m_{s}=0$ moment equation, to all order. Accordingly, we have: $\displaystyle\nu(\rho)=M_{E}(\rho,0)\nu(0),\ 0\leq\rho\leq n_{*},$ $\displaystyle M_{E}(0,0)\equiv 1.$ (80) All the moments of order $n_{*}+2$ or higher, are linearly dependent on the moments $\\{\nu(n_{*}),\nu(n_{*}+1)\\}$: $\displaystyle\nu(\rho)=\sum_{\ell=n_{*}}^{n_{*}+1}{\cal N}_{E}(\rho,\ell)\nu(\ell),\ n_{*}+2\leq\rho<\infty,$ $\displaystyle{\cal N}_{E}(\ell_{1},\ell_{2})=\delta_{\ell_{1},\ell_{2}},\ n_{*}\leq\ell_{1,2}\leq n_{*}+1,$ (81) where ${\cal N}_{E}(\rho,\ell)$ satisfies Eq.(78) for $n_{*}+2\leq\rho<\infty$. Finally, we combine these to produce the representation $\displaystyle\nu(\rho)=\sum_{\ell=0,n_{*}+1}M_{E}(\rho,\ell)\nu(\ell),\ 0\leq\rho<\infty,$ (82) where $\displaystyle M_{E}(\rho,0)=\ determined\ from\ m_{s}\ =0\ moment\ equation\ for\ 0\leq\rho\leq n_{*},$ $\displaystyle M_{E}(\rho,n_{*}+1)\equiv 0,\ 0\leq\rho\leq n_{*},$ $\displaystyle M_{E}(n_{*}+1,0)\equiv 0,M_{E}(n_{*}+1,n_{*}+1)\equiv 1,$ $\displaystyle M_{E}(\rho,0)={\cal N}_{E}(\rho,n_{*})M_{E}(n_{*},0),\rho\geq n_{*}+2,$ $\displaystyle M_{E}(\rho,n_{*}+1)={\cal N}_{E}(\rho,n_{*}+1),\ \rho\geq n_{*}+2.$ We implement OPPQ by demanding that $\displaystyle\int d\xi{\cal Q}^{(N+\ell_{r})}(\xi)\Phi(\xi)=0,N\geq n_{*}+1,\ and\ \ell_{r}=0,1;$ $\displaystyle\sum_{i=0}^{N+\ell_{r}}\Xi_{i}^{(N+\ell_{r})}\nu(i)=0,$ $\displaystyle\sum_{\ell_{c}=0,n_{*}+1}\Big{(}\sum_{i=0}^{N+\ell_{r}}\Xi_{i}^{(N+\ell_{r})}M_{E}(i,\ell_{c})\Big{)}u(\ell_{c})=0.$ (84) The latter results in a $2\times 2$ set of simultaneous equations whose determinant exhibits the factorized form $D_{N}(E)=Poly_{QES}(E)\times Poly_{nonQES}(E)$. The QES polynomial factor contains all the QES roots consitent with the BD energy polynomial. The other polynomial factor generates the approximate non-QES energies through its roots that converge, exponentially fast, to the true non-QES values. The results of this analysis are given in Table 13, with a much improved convergence compared to the case reflected in Table 12. ## 8 Conclusion We have presented an extensive OPPQ analysis of the QES and non-QES states for the sextic anharmonic oscillator and the Bender and Dunne sextic potential. The OPPQ analysis in either the $\Psi$ representation or $\Phi$ representation yields the exact QES states and approximates the non-QES states (through converging approximants). Within the Bessis function representation ($\Phi$) we can recover the configuration space Bender and Dunne energy orthogonal polynomials, leading to exact formulas for the energies, as well as the wavefunctions. We have shown that the reason for the singular behavior (breakdown) of the Bender and Dunne orthogonal polynomials is due to the breakdown of the order of the moment equation in the Bessis representation. This moments’ intepretation was known by Handy and Bessis within the context of their formulation of the Eigenvalue Moment Method. This breakdwon in the moment equation’s order can be interpreted as a spontaneous breakdown of the implicit degree of freedom within the moment’s representation. The OPPQ moments’ representation also reveals additional structure for the non-QES states (i.e. lower order moments are zero within the Bessis representation). We believe these propeties extend to multidimensional systems. Although we have not proved that all one dimensional QES systems must have an $m_{s}=0$ moment equation for the QES states (within the Bessis representation), we believe that the two examples presented here strongly argue in favor of this. Table 12: Comparison of QES and non-QES states computed through exact root formula $c_{4}(E)=0$ in Eq. (70) and OPPQ-${\tilde{\Phi}}$ for $m_{s}=1$ moment equation in Eq.(74). Parameters $s=1$, $J=n_{*}+1$, and $n_{*}=3$. $N$ $E_{0}^{*}$ $E_{1}^{*}$ $E_{2}^{*}$ $E_{3}^{*}$ $E_{4}$ $E_{5}$ -20.926277 -6.487752 +6.487752 +20.926277 NA NA $V(x)=x^{6}+mx^{2}+{b\over{x^{2}}}$, $b=3/2$, m = -18 1 -12.552595 2 -19.663222 -9.597580 3 -20.883219 -6.093770 9.002550 4 -20.926277 -6.487752 6.487752 20.926277 5 -20.926277 -6.487752 6.487752 20.926277 36.988059 6 -20.926277 -6.487752 6.487752 20.926277 37.544189 58.584676 7 -20.926277 -6.487752 6.487752 20.926277 37.887188 56.623863 8 -20.926277 -6.487752 6.487752 20.926277 37.976840 57.031923 9 -20.926277 -6.487752 6.487752 20.926277 37.996662 57.372312 Table 13: Comparison of QES and non-QES states computed through exact root formula $c_{4}(E)=0$ in Eq. (70) and OPPQ-$\Phi$ for $m_{s}=1$ moment equation in Eq.(78). Parameters $s=1$, $J=n_{*}+1$, and $n_{*}=3$. $N$ $E_{0}^{*}$ $E_{1}^{*}$ $E_{2}^{*}$ $E_{3}^{*}$ $E_{4}$ $E_{5}$ -20.926277 -6.487752 +6.487752 +20.926277 NA NA $V(x)=x^{6}+mx^{2}+{b\over{x^{2}}}$, $b=3/2$, m = -18 4 -20.926277 -6.487752 6.487752 20.926277 5 -20.926277 -6.487752 6.487752 20.926277 40.921277 6 -20.926277 -6.487752 6.487752 20.926277 38.584899 67.221602 7 -20.926277 -6.487752 6.487752 20.926277 38.122298 60.484136 8 -20.926277 -6.487752 6.487752 20.926277 38.026662 58.428088 9 -20.926277 -6.487752 6.487752 20.926277 38.007296 57.788594 10 -20.926277 -6.487752 6.487752 20.926277 38.003397 57.603593 11 -20.926277 -6.487752 6.487752 20.926277 38.002606 57.554137 ## Acknowledgments Discussions with Dr. D. Bessis are greatly appreciated. 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Gen. 31 9897 * [24] Le Guillou J C and Zinn-Justin J 1983 Annals of Physics 147 57 * [25] Handy C R, Trallero-Giner C, and Rodriguez A H 2001 J. Phys. A34 10991 * [26] Goemans M 1997 Mathematical Programming 79 143 * [27] Greenman L and Mazziotti D A 2008 J. Chem. Phys 128 114109 * [28] Yasuda K 2002 Phys. Rev. A 65 052121 * [29] Handy C R 1987 Phys. Rev. A 36 4411; 1987 Phys. Lett. A 124 308 * [30] Handy C R 2001 J. Phys. A 34 L271 * [31] Bender C M and Boettcher S 1998 Phys. Rev. Lett. 80 5243 * [32] Dorey P, Dunning C, and Tateo R 2001 J. Phys. A Math. Gen. 34 L391 * [33] Handy C R 2001 J. Phys. A 34 5065; Handy C R, Khan D, Wang Xiao-Qian, and Tymczak C J 2001 J. Phys. A: Math. Gen. 34 5593 * [34] Handy C R and Msezane A Z 2001 J. Phys. A 34 L531 * [35] Handy C R, Msezane A Z, and Yan Z 2002 J. Phys. A 35 6359
arxiv-papers
2014-02-24T15:56:56
2024-09-04T02:49:58.753196
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Carlos R. Handy, Daniel Vrinceanu and Rahul Gupta", "submitter": "Daniel Vrinceanu", "url": "https://arxiv.org/abs/1402.5868" }
1402.6013
11institutetext: Joaquin Vanschoren 22institutetext: Leiden University, Leiden, Netherlands, 22email: [email protected] 33institutetext: Mikio L. Braun 44institutetext: TU Berlin, Berlin, Germany, 44email: [email protected] 55institutetext: Cheng Soon Ong 66institutetext: National ICT Australia, Melbourne, Austrialia, 66email: [email protected] # Open science in machine learning Joaquin Vanschoren and Mikio L. Braun and Cheng Soon Ong ###### Abstract We present OpenML and mldata, open science platforms that provides easy access to machine learning data, software and results to encourage further study and application. They go beyond the more traditional repositories for data sets and software packages in that they allow researchers to also easily share the results they obtained in experiments and to compare their solutions with those of others. ###### Keywords: machine learning, open science ## 1 Introduction Research in machine learning and data mining can be speeded up tremendously by moving empirical research results “out of people’s heads and labs, onto the network and into tools that help us structure and alter the information” Nielsen2008 . The massive streams of experiments that are being executed to benchmark new algorithms, test hypotheses or model new data sets have many more uses beyond their original intent, but are often discarded or their details are lost over time. In this paper, we present recently developed infrastructures that aim to make machine learning research more open. They go beyond the more traditional repositories111Well-known examples are the UCI repository, (http://archive.ics.uci.edu/ml), myExperiment (http://myexperiment.org) and MLOSS (http://mloss.org). for data sets, implementations and workflows in that they allow researchers to also share detailed results obtained in experiments and to compare their solutions with those of others. This _collaborative_ approach to experimentation allows researchers to share all code and results that are possibly of interest to others, which may boost their visibility, speed up further research and applications, and engender new collaborations. Indeed, many questions about machine learning algorithms can be answered on the fly by querying the combined results of thousands of studies on all available data sets. This facilitates much larger-scale machine learning studies, yielding more generalizable results Hand2006 . Last but not least, these infrastructures keep track of experiment details, ensuring that we can easily reproduce them later on, and confidently build upon earlier work Hirsh2008 . ## 2 OpenML OpenML (http://openml.org) is a website where researchers can share their data sets, implementations and experiments in such a way that they can easily be found and reused by others. It offers a web API through which new resources and results can be submitted automatically, and is being integrated in a number of popular machine learning and data mining platforms, such as Weka, RapidMiner, KNIME, and data mining packages in R, so that new results can be submitted automatically. Vice versa, it enables researchers to easily search for certain results (e.g. evaluations of algorithms on a certain data set), to directly compare certain techniques against each other, and to combine all submitted data in advanced queries. To make experiments from different researchers comparable, OpenML uses _tasks_ , well-described problems to be solved by a machine learning algorithm or workflow. A typical task would be: _Predict (target) attribute X of data set Y with maximal predictive accuracy_. Similar to a data mining challenge, researchers are thus challenged to build algorithms or workflows that solve these tasks. Tasks can be searched online, and will be generated on demand for newly submitted data sets. Tasks contain all necessary information to complete it, always including the input data and what results should be submitted to the server. Some tasks offers more structured input and output: predictive tasks, for instance, include train and test splits for cross-validation, and a submission format for all predictions. The server will evaluate the predictions and compute scores for various evaluation metrics. An attempt to solve a task is called a _run_ , and includes the task itself, the algorithm or workflow (i.e., _implementation_) used, and a file detailing the obtained results. These are all submitted to the server, where new implementations will be registered. For each implementation, an online overview page is generated summarising the results obtained over all tasks, over various parameter settings. For each data set, a similar page is created, containing a ranking of implementations that were run on tasks with that data set as input. OpenML provides a REST API for downloading tasks and uploading data sets, implementations and results. This API is currently being integrated in various machine learning platforms such as Weka, R packages, RapidMiner and KNIME 222Beta versions of these integrations can be downloaded from the OpenML website.. To make the shared results maximally useful, OpenML links various bits of information together in a single database. All results are stored in such a way that implementations can directly be compared to each other (using various evaluation measures), and parameter settings are stored so that the impact of individual parameters can be tracked. Moreover, for all data sets, it calculates meta-data about the features and the data distributionPeng2002 , and for all implementations, meta-data is stored about their (hyper)parameters and properties such as what input data they can handle, what tasks they can solve and, if possible, advanced properties such bias-variance profiles. Finally, the OpenML website offers various search functionalities. data sets, algorithms and implementations can be found through simple keyword searches, linked to all results and meta-data. Runs can be aggregated to directly compare many implementations over many data sets (e.g. for benchmarking). Furthermore, the database can be queried directly through an SQL editor, or through pre-defined advanced queries.333See the Advanced tab on http://openml.org/search. The results of such queries are displayed as data tables, scatterplots or line plots, which can be downloaded directly. ## 3 mldata mldata (http://mldata.org) is a community-based website for the exchange of machine learning data sets. Data sets can either be raw data files or collections of files, or use one of the supported file formats like HDF5 or ARFF in which case mldata looks at meta data contained in the files to display more information. Similar to OpenML, mldata can define learning tasks based on data sets, where mldata currently focuses on supervised learning data. Learning tasks identify which features are used for input and output and also which score is used to evaluate the functions. mldata also allows to create learning challenges by grouping learning tasks together, and lets users submit results in the form of predicted labels which are then automatically evaluated. mldata.org supports four kinds of information: raw data sets, learning tasks, learning methods, and challenges. A raw data set is just some data, while the learning task also specifies the input and output variables and the cost function used in evaluation. A learning method is the description of a full learning workflow, including feature extraction and learner. One can upload predicted labels for a data set and a task to create a solution entry which automatically evaluates the error on the predicted labels. Finally, a number of learning tasks can be grouped to create a challenge. Most of this data is text. mldata defines a general file exchange format for supervised learning based on HDF5, a structured compressed file format. It is similar to an archive of files but has additional structure on the level of the files, such that users can directly store and access matrices, or numerical arrays. Using this specified file format is not mandatory, but using it unlocks a number of additional features like a summary of the data set, and automatic conversion into a number of other formats. Currently, OpenML is being integrated with mldata, so that data sets and learning methods can be shared between both platforms. ## 4 Related work There also exist platforms aimed at providing reproducible benchmarks. DELVE (http://www.cs.utoronto.ca/~delve) was the first, but is currently in abeyance. MLComp (http://mlcomp.org) allows users to upload their algorithms and evaluate them on known data sets (or vice versa) on MLComp servers. RunMyCode (http://runmycode.org) allows researchers to create _companion websites_ for publications by uploading code and building an interface. Users can then fill in all inputs online and get the result of the algorithm. Compared to these systems, OpenML and mldata allow users more flexibility in running experiments: new tasks can be introduced for novel types of experiments and experiments can be run in any environment. OpenML also offers clean integration in data mining platforms that researchers already use in daily research, and closer data integration so that researchers can reuse results in many ways beyond direct benchmark comparisons, such as meta- learning studies Vanschoren2012 . ### Acknowledgments This work is supported by grant 600.065.120.12N150 from the Dutch Fund for Scientific Research (NWO), and by the IST Programme of the European Community, under the PASCAL2 Network of Excellence, IST-2007-216886. ## References * (1) Hand, D.: Classifier technology and the illusion of progress. Statistical Science (Jan 2006) * (2) Hirsh, H.: Data mining research: Current status and future opportunities. Statistical Analysis and Data Mining 1(2), 104–107 (Jan 2008) * (3) Nielsen, M.: The future of science: Building a better collective memory. APS Physics 17(10) (2008) * (4) Peng, Y., Flach, P., Soares, C., Brazdil, P.: Improved dataset characterisation for meta-learning. Lecture Notes in Computer Science 2534, 141–152 (Jan 2002) * (5) Vanschoren, J., Blockeel, H., Pfahringer, B., Holmes, G.: Experiment databases. A new way to share, organize and learn from experiments. Machine Learning 87(2), 127–158 (2012)
arxiv-papers
2014-02-24T23:12:42
2024-09-04T02:49:58.784144
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Joaquin Vanschoren and Mikio L. Braun and Cheng Soon Ong", "submitter": "Joaquin Vanschoren", "url": "https://arxiv.org/abs/1402.6013" }
1402.6178
# Iterative properties of birational rowmotion Darij Grinberg Department of Mathematics Massachusetts Institute of Technology Massachusetts, U.S.A. [email protected] ! Supported by NSF grant 1001905. Tom Roby Department of Mathematics University of Connecticut Connecticut, U.S.A. [email protected] Supported by NSF grant 1001905. (version 5.0 (7 September 2015). This is the arXiv version, not the submitted version. The submitted version has been abridged in several places and split into two papers. Mathematics Subject Classifications: 06A07, 05E99) ###### Abstract We study a birational map associated to any finite poset $P$. This map is a far-reaching generalization (found by Einstein and Propp) of classical rowmotion, which is a certain permutation of the set of order ideals of $P$. Classical rowmotion has been studied by various authors (Fon-der-Flaass, Cameron, Brouwer, Schrijver, Striker, Williams and many more) under different guises (Striker-Williams promotion and Panyushev complementation are two examples of maps equivalent to it). In contrast, birational rowmotion is new and has yet to reveal several of its mysteries. In this paper, we prove that birational rowmotion has order $p+q$ on the $\left(p,q\right)$-rectangle poset (i.e., on the product of a $p$-element chain with a $q$-element chain); we furthermore compute its orders on some triangle-shaped posets and on a class of posets which we call “skeletal” (this class includes all graded forests). In all cases mentioned, birational rowmotion turns out to have a finite (and explicitly computable) order, a property it does not exhibit for general finite posets (unlike classical rowmotion, which is a permutation of a finite set). Our proof in the case of the rectangle poset uses an idea introduced by Volkov (arXiv:hep-th/0606094) to prove the $AA$ case of the Zamolodchikov periodicity conjecture; in fact, the finite order of birational rowmotion on many posets can be considered an analogue to Zamolodchikov periodicity. We comment on suspected, but so far enigmatic, connections to the theory of root posets. We also make a digression to study classical rowmotion on skeletal posets, since this case has seemingly been overlooked so far. Keywords: rowmotion; posets; order ideals; Zamolodchikov periodicity; root systems; promotion; trees; graded posets; Grassmannian; tropicalization. ###### Contents 1. 0.1 Leitfaden 2. 0.2 Acknowledgments 3. 1 Linear extensions of posets 4. 2 Birational rowmotion 5. 3 Graded posets 6. 4 w-tuples 7. 5 Graded rescaling of labellings 8. 6 Homogeneous labellings 9. 7 Order 10. 8 The opposite poset 11. 9 Skeletal posets 12. 10 Interlude: Classical rowmotion on skeletal posets 13. 11 The rectangle: statements of the results 14. 12 Reduced labellings 15. 13 The Grassmannian parametrization: statements 16. 14 The Plücker-Ptolemy relation 17. 15 Dominance of the Grassmannian parametrization 18. 16 The rectangle: finishing the proofs 19. 17 The $\vartriangleright$ triangle 20. 18 The $\Delta$ and $\nabla$ triangles 21. 19 The quarter-triangles 22. 20 Negative results 23. 21 The root system connection ## Introduction The present paper had originally been intended as a companion paper to David Einstein’s and James Propp’s work [EiPr13], which introduced piecewise-linear and birational rowmotion as extensions of the classical concept of rowmotion on order ideals. While the present paper is mathematically self-contained (and indeed gives some proofs on which [EiPr13] relies), it provides only a modicum of motivation and applications for the results it discusses. For the latter, the reader may consult [EiPr13]. Let $P$ be a finite poset, and $J\left(P\right)$ the set of the order ideals111An order ideal of a poset $P$ is a subset $S$ of $P$ such that every $s\in S$ and $p\in P$ with $p\leqslant s$ satisfy $p\in S$. of $P$. Rowmotion is a classical map $J\left(P\right)\rightarrow J\left(P\right)$ which can be defined in various ways, one of which is as follows: For every $v\in P$, let $\mathbf{t}_{v}:J\left(P\right)\rightarrow J\left(P\right)$ be the map sending every order ideal $S\in J\left(P\right)$ to $\left\\{\begin{array}[c]{l}S\cup\left\\{v\right\\}\text{, if }v\notin S\text{ and }S\cup\left\\{v\right\\}\in J\left(P\right);\\\ S\setminus\left\\{v\right\\}\text{, if }v\in S\text{ and }S\setminus\left\\{v\right\\}\in J\left(P\right);\\\ S\text{, otherwise}\end{array}\right.$. These maps $\mathbf{t}_{v}$ are called classical toggles222or just toggles in literature which doesn’t occupy itself with birational rowmotion, since all they do is “toggle” an element into or out of an order ideal. Let $\left(v_{1},v_{2},...,v_{m}\right)$ be a linear extension of $P$ (see Definition 1.3 for the meaning of this). Then, (classical) rowmotion is defined as the composition $\mathbf{t}_{v_{1}}\circ\mathbf{t}_{v_{2}}\circ...\circ\mathbf{t}_{v_{m}}$ (which, as can be seen, does not depend on the choice of the particular linear extension $\left(v_{1},v_{2},...,v_{m}\right)$). This rowmotion map has been studied from various perspectives; in particular, it is isomorphic333By this, we mean that there exists a bijection $\phi$ from $J\left(P\right)$ to the set of all antichains of $P$ such that rowmotion is $\phi^{-1}\circ f\circ\phi$. to the map $f$ of Fon-der-Flaass [Flaa93]444Indeed, let $\mathcal{A}\left(P\right)$ denote the set of all antichains of $P$. Then, the map $J\left(P\right)\rightarrow\mathcal{A}\left(P\right)$ which sends every order ideal $I\in J\left(P\right)$ to the antichain of the maximal elements of $I$ is a bijection which intertwines rowmotion and Fon-der-Flaass’ map $f$., the map $F^{-1}$ of Brouwer and Schrijver [BrSchr74], and the map $f^{-1}$ of Cameron and Fon-der-Flaass [CaFl95]555This time, the intertwining bijection from rowmotion to the map $f^{-1}$ of [CaFl95] is given by mapping every order ideal $I$ to its indicator function. This is a bijection from $J\left(P\right)$ to the set of Boolean monotonic functions $P\rightarrow\left\\{0,1\right\\}$.. More recently, it has been studied (and christened “rowmotion”) in Striker and Williams [StWi11], where further sources and context are also given. Since so much has already been said about this rowmotion map, we will only briefly touch on its properties in Section 10, while most of this paper will be spent studying a much more general construction. Among the questions that have been posed about rowmotion, the most prevalent was probably that of its order: While it clearly has finite order (being a bijective map from the finite set $J\left(P\right)$ to itself), it turns out to have a much smaller order than what one would naively expect when the poset $P$ has certain “special” forms (e.g., a rectangle, a root poset, a product of a rectangle with a $2$-chain, or – apparently first considered in this paper – a forest). Most strikingly, when $P$ is the rectangle $\left[p\right]\times\left[q\right]$ (denoted $\operatorname*{Rect}\left(p,q\right)$ in Definition 11.1), then the $\left(p+q\right)$-th power of the rowmotion operator is the identity map. This is proven in [BrSchr74, Theorem 3.6] and [Flaa93, Theorem 2]666Another proof follows from two observations made in [PrRo14]: first, that the rowmotion operator on the order ideals of the rectangle $\left[p\right]\times\left[q\right]$ is equivalent to the operator named $\Phi_{A}$ in [PrRo14] (i.e., there is a bijection between order ideals and antichains of $\left[p\right]\times\left[q\right]$ which intertwines these two operators), and second, that the $\left(p+q\right)$-th power of this latter operator $\Phi_{A}$ is the identity map (this is proven in [PrRo14, right after Proposition 26]). This argument can also be constructed from ideas given in [PrRo13, §3.3.1].. We will (in Section 10) give a simple algorithm to find the order of rowmotion on graded forests and similar posets. In [EiPr13], David Einstein and James Propp have lifted the rowmotion map from the set $J\left(P\right)$ of order ideals to the progressively more general setups of: (a) the order polytope $\mathcal{O}\left(P\right)$ of the poset $P$ (as defined in [Stan11, Example 4.6.17] or [Stan86, Definition 1.1]), and (b) even more generally, the affine variety of $\mathbb{K}$-labellings of $P$ for $\mathbb{K}$ an arbitrary infinite field. In case (a), order ideals of $P$ are replaced by points in the order polytope $\mathcal{O}\left(P\right)$, and the role of the map $\mathbf{t}_{v}$ (for a given $v\in P$) is assumed by the map which reflects the $v$-coordinate of a point in $\mathcal{O}\left(P\right)$ around the midpoint of the interval of all values it could take without the point leaving $\mathcal{O}\left(P\right)$ (while all other coordinates are considered fixed). The operation of “piecewise linear” rowmotion (inspired by work of Arkady Berenstein) is still defined as the composition of these reflection maps in the same way as rowmotion is the composition of the toggles $\mathbf{t}_{v}$. This “piecewise linear” rowmotion extends (interpolates, even) classical rowmotion, as order ideals correspond to the vertices of the order polytope $\mathcal{O}\left(P\right)$ (see [Stan86, Corollary 1.3]). We will not study case (a) here, since all of the results we could find in this case can be obtained by tropicalization from similar results for case (b). In case (b), instead of order ideals of $P$ one considers maps from the poset $\widehat{P}:=\left\\{0\right\\}\oplus P\oplus\left\\{1\right\\}$ (where $\oplus$ stands for the ordinal sum777More explicitly, $\widehat{P}$ is the poset obtained by adding a new element $0$ to $P$, which is set to be lower than every element of $P$, and adding a new element $1$ to $P$, which is set to be higher than every element of $P$ (and $0$). We shall repeat this definition in more formal terms in Definition 2.1.) to a given infinite field $\mathbb{K}$ (or, to speak more graphically, of all labellings of the elements of $P$ by elements of $\mathbb{K}$, along with two additional labels “at the very bottom” and “at the very top”). The maps $\mathbf{t}_{v}$ are then replaced by certain birational maps which we call birational $v$-toggles (Definition 2.6); the resulting composition is called birational rowmotion and denoted by $R$. By a careful limiting procedure (the tropical limit), we can “degenerate” $R$ to the “piecewise linear” rowmotion of case (a), and thus it can be seen as an even higher generalization of classical rowmotion. We refer to the body of this paper for precise definitions of these maps. Note that birational $v$-toggles (but not birational rowmotion) in the case of a rectangle poset have also appeared in [OSZ13, (3.5)], but (apparently) have not been composed there in a way that yields birational rowmotion. As in the case of classical rowmotion on $J\left(P\right)$, the most interesting question is the order of this map $R$, which in general no longer has an obvious reason to be finite (since the affine variety of $\mathbb{K}$-labellings is not a finite set like $J\left(P\right)$). Indeed, for some posets $P$ this order is infinite. In this paper we will prove the following facts: * • Birational rowmotion (i.e., the map $R$) on any graded poset (in the meaning of this word introduced in Definition 3.3) has a very simple effect (namely, cyclic shifting) on the so-called “w-tuple” of a labelling (a rather simple fingerprint of the labelling). This does not mean $R$ itself has finite order (but turns out to be crucial in proving this in several cases). * • Birational rowmotion on graded forests and, slightly more generally, skeletal posets (Definition 9.5) has finite order (which can be bounded from above by an iterative lcm, and also easily computed algorithmically). Moreover, its order in these cases coincides with the order of classical rowmotion (Section 10). * • Birational rowmotion on a $p\times q$-rectangle has order $p+q$ and satisfies a further symmetry property (Theorem 11.7). These results have originally been conjectured by James Propp and the second author, and can be used as an alternative route to certain properties of (Schützenberger’s) promotion map on semistandard Young tableaux. * • Birational rowmotion on certain triangle-shaped posets (this is made precise in Sections 17, 18, 19) also has finite order (computed explicitly below). We show this for three kinds of triangle-shaped posets (obtained by cutting the $p\times p$-square in two along either of its two diagonals) and conjecture it for a fourth (a quarter of a $p\times p$-square obtained by cutting it along both diagonals). The proof of the most difficult and fundamental case – that of a $p\times q$-rectangle – is inspired by Volkov’s proof of the “rectangular” (type-$AA$) Zamolodchikov conjecture [Volk06], which uses a similar idea of parametrizing (generic) $\mathbb{K}$-labellings by matrices (or tuples of points in projective space). There is, of course, a striking similarity between the fact itself and the Zamolodchikov conjecture; yet, we were not able to reduce either result to the other. Applications of the results of this paper (specifically Theorems 11.5 and 11.7) are found in [EiPr13]. Further directions currently under study of the authors are relations to the totally positive Grassmannian and generalizations to further classes of posets. An extended (12-page) abstract [GrRo13] of this paper has been published in the proceedings of the FPSAC 2014 conference. For publication, this paper has been split into two parts (“Iterative properties of birational rowmotion I: generalities and skeletal posets” and “Iterative properties of birational rowmotion II: rectangles and triangles”), which have been submitted to the Electronic Journal of Combinatorics. These two parts have since received referee reports. All changes to the content (but only few of the stylistic changes, and none of the shortenings) that were made in response to the referee reports have been backported into the present version of this paper. ### 0.1 Leitfaden The following Hasse diagram shows how the sections of this paper depend upon each other. $\textstyle{1\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{2\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{3\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{11\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{4\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{5\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{8\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{6\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{12\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{7\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{13\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{9\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{14\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{10}$$\textstyle{15\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{16\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{17\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{18\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{19}$ A section $n$ depends substantially on a section $m$ if and only if $m>n$ in the poset whose Hasse diagram is depicted above. Only substantial dependencies are shown; dependencies upon definitions do not count as substantial (e.g., many sections depend on Definition 7.1, but this does not make them substantially dependent on Section 7), and dependencies which are only used in proving inessential claims do not count (e.g., the proof of Theorem 11.5 relies on Proposition 7.3 in order to show that $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)=p+q$ rather than just $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)\mid p+q$, but since the $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)\mid p+q$ statement is in our opinion the only important part of the theorem, we do not count this as a dependency on Section 7). Sections 20 and 21 are not shown. No section of this paper depends on the Introduction. ### 0.2 Acknowledgments When confronted with the (then open) problem of proving what is Theorem 11.5 in this paper, Pavlo Pylyavskyy and Gregg Musiker suggested reading [Volk06]. This suggestion proved highly useful and built the cornerstone of this paper, without which the latter would have ended at its “Skeletal posets” section. The notion of birational rowmotion is due to James Propp and Arkady Berenstein. This paper owes James Propp also for a constant flow of inspiration and useful suggestions. David Einstein found errors in our computations, and Hugh Thomas corrected slips in the writing including an abuse of Zariski topology and some accidental alternative history. Nathan Williams noticed typos, too, and suggested a path connecting this subject to the theory of minuscule posets (which we will not explore in this paper). The first author came to know birational rowmotion in Alexander Postnikov’s combinatorics pre-seminar at MIT. Postnikov also suggested veins of further study. Jessica Striker helped the first author understand some of the past work on this subject, in particular the labyrinthine connections between the various operators (rowmotion, Panyushev complementation, Striker-Williams promotion, Schützenberger promotion, etc.). The present paper explores merely one corner of this labyrinth (the rowmotion corner). We thank Dan Bump, Anne Schilling and the two referees of our FPSAC abstract [GrRo13] for further helpful comments. We also owe a number of improvements in this paper to the suggestions of two anonymous EJC referees. Both authors were partially supported by NSF grant #1001905, and have utilized the open-source CAS Sage ([S+09], [Sage08]) to perform laborious computations. We thank Travis Scrimshaw, Frédéric Chapoton, Viviane Pons and Nathann Cohen for reviewing Sage patches relevant to this project. ## 1 Linear extensions of posets This first section serves to introduce some general notions concerning posets and their linear extensions. In particular, we highlight that the set of linear extensions of any finite poset is non-empty and connected by a simple equivalence relation (Proposition 1.7). This will be used in subsequent sections for defining the basic maps that we consider throughout the paper. Let us first get a basic convention out of the way: ###### Convention 1.1. We let $\mathbb{N}$ denote the set $\left\\{0,1,2,...\right\\}$. We start by defining general notations related to posets: ###### Definition 1.2. Let $P$ be a poset. Let $u\in P$ and $v\in P$. In this definition, we will use $\leqslant$, $<$, $\geqslant$ and $>$ to denote the lesser-or-equal relation, the lesser relation, the greater-or-equal relation and the greater relation, respectively, of the poset $P$. (a) The elements $u$ and $v$ of $P$ are said to be incomparable if we have neither $u\leqslant v$ nor $u\geqslant v$. (b) We write $u\lessdot v$ if we have $u<v$ and there is no $w\in P$ such that $u<w<v$. One often says that “$u$ is covered by $v$” to signify that $u\lessdot v$. (c) We write $u\gtrdot v$ if we have $u>v$ and there is no $w\in P$ such that $u>w>v$. (Thus, $u\gtrdot v$ holds if and only if $v\lessdot u$.) One often says that “$u$ covers $v$” to signify that $u\gtrdot v$. (d) An element $u$ of $P$ is called maximal if every $v\in P$ satisfying $v\geqslant u$ satisfies $v=u$. It is easy to see that every nonempty finite poset has at least one maximal element. (e) An element $u$ of $P$ is called minimal if every $v\in P$ satisfying $v\leqslant u$ satisfies $v=u$. It is easy to see that every nonempty finite poset has at least one minimal element. When any of these notations becomes ambiguous because the elements involved belong to several different posets simultaneously, we will disambiguate it by adding the words “in $P$” (where $P$ is the poset which we want to use).888For instance, if $R$ denotes the poset $\mathbb{Z}$ endowed with the reverse of its usual order, then we say (for instance) that “$1\lessdot 0$ in $R$” rather than just “$1\lessdot 0$”. ###### Definition 1.3. Let $P$ be a finite poset. A linear extension of $P$ will mean a list $\left(v_{1},v_{2},...,v_{m}\right)$ of the elements of $P$ such that every element of $P$ occurs exactly once in this list, and such that any $i\in\left\\{1,2,...,m\right\\}$ and $j\in\left\\{1,2,...,m\right\\}$ satisfying $v_{i}<v_{j}$ (where $<$ is the smaller relation of $P$) must satisfy $i<j$. A brief remark on this definition is in order. Stanley, in [Stan11, one paragraph below the proof of Proposition 3.5.2], defines a linear extension of a poset $P$ as an order-preserving bijection from $P$ to the chain $\left\\{1,2,...,\left|P\right|\right\\}$; this is equivalent to our definition (indeed, our linear extension $\left(v_{1},v_{2},...,v_{m}\right)$, whose length obviously is $m=\left|P\right|$, corresponds to the bijection $P\rightarrow\left\\{1,2,...,\left|P\right|\right\\}$ which sends each $v_{i}$ to $i$). Another widespread definition of a linear extension of $P$ is as a total order on $P$ compatible with the given order of the poset $P$; this is equivalent to our definition as well (the total order is the one defined by $v_{i}<v_{j}$ whenever $i<j$). Notice that if $\left(v_{1},v_{2},...,v_{m}\right)$ is a linear extension of a nonempty finite poset $P$, then $v_{1}$ is a minimal element of $P$ and $v_{m}$ is a maximal element of $P$. The only linear extension of the empty poset $\varnothing$ is the empty list $\left({}\right)$. ###### Theorem 1.4. Let $P$ be a finite poset. Then, there exists a linear extension of $P$. Theorem 1.4 is a well-known fact, and can be proven, e.g., by induction over $\left|P\right|$ (with the induction step consisting of splitting off a maximal element $u$ of $P$ and appending it to a linear extension of the residual poset $P\setminus\left\\{u\right\\}$). The following proposition can be easily checked by the reader: ###### Proposition 1.5. Let $P$ be a finite poset. Let $\left(v_{1},v_{2},...,v_{m}\right)$ be a linear extension of $P$. Let $i\in\left\\{1,2,...,m-1\right\\}$ be such that the elements $v_{i}$ and $v_{i+1}$ of $P$ are incomparable. Then, $\left(v_{1},v_{2},...,v_{i-1},v_{i+1},v_{i},v_{i+2},v_{i+3},...,v_{m}\right)$ (this is the tuple obtained from the tuple $\left(v_{1},v_{2},...,v_{m}\right)$ by interchanging the adjacent entries $v_{i}$ and $v_{i+1}$) is a linear extension of $P$ as well. ###### Definition 1.6. Let $P$ be a finite poset. The set of all linear extensions of $P$ will be called $\mathcal{L}\left(P\right)$. Thus, $\mathcal{L}\left(P\right)\neq\varnothing$ (by Theorem 1.4). In our approach to birational rowmotion, we will use the following fact (which is folklore and has applications in various contexts, including Young tableau theory): ###### Proposition 1.7. Let $P$ be a finite poset. Let $\sim$ denote the equivalence relation on $\mathcal{L}\left(P\right)$ generated by the following requirement: For any linear extension $\left(v_{1},v_{2},...,v_{m}\right)$ of $P$ and any $i\in\left\\{1,2,...,m-1\right\\}$ such that the elements $v_{i}$ and $v_{i+1}$ of $P$ are incomparable, we set $\left(v_{1},v_{2},...,v_{m}\right)\sim\left(v_{1},v_{2},...,v_{i-1},v_{i+1},v_{i},v_{i+2},v_{i+3},...,v_{m}\right)$ (noting that $\left(v_{1},v_{2},...,v_{i-1},v_{i+1},v_{i},v_{i+2},v_{i+3},...,v_{m}\right)$ is also a linear extension of $P$, because of Proposition 1.5). 999Here is a more formal way to restate this definition of $\sim$: We first introduce a binary relation $\equiv$ on the set $\mathcal{L}\left(P\right)$ as follows: If $\mathbf{v}$ and $\mathbf{w}$ are two linear extensions of $P$, then we set $\mathbf{v}\equiv\mathbf{w}$ if and only if the list $\mathbf{w}$ can be obtained from the list $\mathbf{v}$ by interchanging two adjacent entries $v$ and $v^{\prime}$ which are incomparable in $P$. It is clear that this binary relation $\equiv$ is symmetric. It is also clear that for any linear extension $\left(v_{1},v_{2},...,v_{m}\right)$ of $P$ and any $i\in\left\\{1,2,...,m-1\right\\}$ such that the elements $v_{i}$ and $v_{i+1}$ of $P$ are incomparable, the list $\left(v_{1},v_{2},...,v_{i-1},v_{i+1},v_{i},v_{i+2},v_{i+3},...,v_{m}\right)$ is also a linear extension of $P$ (according to Proposition 1.5) and satisfies $\left(v_{1},v_{2},...,v_{m}\right)\equiv\left(v_{1},v_{2},...,v_{i-1},v_{i+1},v_{i},v_{i+2},v_{i+3},...,v_{m}\right)$. Now, we define $\sim$ as the reflexive and transitive closure of the binary relation $\equiv$. Then, $\sim$ is an equivalence relation on $\mathcal{L}\left(P\right)$. Then, any two elements of $\mathcal{L}\left(P\right)$ are equivalent under the relation $\sim$. This proposition is very basic (it generalizes the fact that the symmetric group $S_{n}$ is generated by the adjacent-element transpositions) and is classical, but a proof is hard to find in the literature. One proof is in [AKSch12, Proposition 4.1 (for the $\pi^{\prime}=\pi\tau_{j}$ case)]; another is sketched in [Rusk92, p. 79]. For the sake of completeness, we will prove it too. Our proof is based on the following lemma (which is more or less a simple particular case of Proposition 1.7): ###### Lemma 1.8. Let $P$ be a finite poset. Define the equivalence relation $\sim$ on $\mathcal{L}\left(P\right)$ as in Proposition 1.7. Let $a_{1}$, $a_{2}$, $...$, $a_{k}$ be some elements of $P$. Let $b_{1}$, $b_{2}$, $...$, $b_{\ell}$ be some further elements of $P$. Let $u$ be a maximal element of $P$. Assume that $\left(a_{1},a_{2},...,a_{k},u,b_{1},b_{2},...,b_{\ell}\right)$ is a linear extension of $P$. Then, $\left(a_{1},a_{2},...,a_{k},b_{1},b_{2},...,b_{\ell},u\right)$ is a linear extension of $P$ satisfying $\left(a_{1},a_{2},...,a_{k},u,b_{1},b_{2},...,b_{\ell}\right)\sim\left(a_{1},a_{2},...,a_{k},b_{1},b_{2},...,b_{\ell},u\right)$. ###### Proof of Lemma 1.8 (sketched).. We will show that every $i\in\left\\{0,1,...,\ell\right\\}$ satisfies the following assertion: $\left(\begin{array}[c]{c}\text{The tuple }\left(a_{1},a_{2},...,a_{k},b_{1},b_{2},...,b_{i},u,b_{i+1},b_{i+2},...,b_{\ell}\right)\text{ is a}\\\ \text{linear extension of }P\text{ satisfying}\\\ \left(a_{1},a_{2},...,a_{k},u,b_{1},b_{2},...,b_{\ell}\right)\sim\left(a_{1},a_{2},...,a_{k},b_{1},b_{2},...,b_{i},u,b_{i+1},b_{i+2},...,b_{\ell}\right)\end{array}\right).$ (1) Proof of (1): We will prove (1) by induction over $i$: Induction base: If $i=0$, then $\left(a_{1},a_{2},...,a_{k},b_{1},b_{2},...,b_{i},u,b_{i+1},b_{i+2},...,b_{\ell}\right)=\left(a_{1},a_{2},...,a_{k},u,b_{1},b_{2},...,b_{\ell}\right)$. Hence, (1) is a tautology for $i=0$, and the induction base is done. Induction step: Let $I\in\left\\{1,2,...,\ell\right\\}$. Assume that (1) holds for $i=I-1$. We need to prove that (1) holds for $i=I$. We have assumed that (1) holds for $i=I-1$. In other words, the tuple $\left(a_{1},a_{2},...,a_{k},b_{1},b_{2},...,b_{I-1},u,b_{I-1+1},b_{I-1+2},...,b_{\ell}\right)$ is a linear extension of $P$ satisfying $\left(a_{1},a_{2},...,a_{k},u,b_{1},b_{2},...,b_{\ell}\right)\sim\left(a_{1},a_{2},...,a_{k},b_{1},b_{2},...,b_{I-1},u,b_{I-1+1},b_{I-1+2},...,b_{\ell}\right)$. Denote the smaller relation of $P$ by $<$. Since the tuple $\left(a_{1},a_{2},...,a_{k},u,b_{1},b_{2},...,b_{\ell}\right)$ is a linear extension of $P$, we cannot have $u\geqslant b_{I}$ (because $u$ appears strictly to the left of $b_{I}$ in this tuple). But we cannot have $u<b_{I}$ either (since $u$ is a maximal element of $P$). Thus, $u$ and $b_{I}$ are incomparable. Now, $\displaystyle\left(a_{1},a_{2},...,a_{k},u,b_{1},b_{2},...,b_{\ell}\right)$ $\displaystyle\sim\left(a_{1},a_{2},...,a_{k},b_{1},b_{2},...,b_{I-1},u,b_{I-1+1},b_{I-1+2},...,b_{\ell}\right)$ $\displaystyle=\left(a_{1},a_{2},...,a_{k},b_{1},b_{2},...,b_{I-1},u,b_{I},b_{I+1},b_{I+2},...,b_{\ell}\right)$ $\displaystyle\sim\left(a_{1},a_{2},...,a_{k},b_{1},b_{2},...,b_{I-1},b_{I},u,b_{I+1},b_{I+2},...,b_{\ell}\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{by the definition of the relation }\sim\text{, since }u\text{ and }b_{I}\text{ are incomparable}\right)$ $\displaystyle=\left(a_{1},a_{2},...,a_{k},b_{1},b_{2},...,b_{I},u,b_{I+1},b_{I+2},...,b_{\ell}\right).$ The proof of this equivalence also shows that its right hand side is a linear extension of $P$. Thus, (1) holds for $i=I$. This completes the induction step, whence (1) is proven. Lemma 1.8 now follows by applying (1) to $i=\ell$. ∎ ###### Proof of Proposition 1.7 (sketched).. We prove Proposition 1.7 by induction over $\left|P\right|$. The induction base $\left|P\right|=0$ is trivial. For the induction step, let $N$ be a positive integer. Assume that Proposition 1.7 is proven for all posets $P$ with $\left|P\right|=N-1$. Now, let $P$ be a poset with $\left|P\right|=N$. Let $\left(v_{1},v_{2},...,v_{N}\right)$ and $\left(w_{1},w_{2},...,w_{N}\right)$ be two elements of $\mathcal{L}\left(P\right)$. We are going to prove that $\left(v_{1},v_{2},...,v_{N}\right)\sim\left(w_{1},w_{2},...,w_{N}\right)$. Let $u=v_{N}$. Then, $u$ is a maximal element of $P$ (since it comes last in the linear extension $\left(v_{1},v_{2},...,v_{N}\right)$). Let $i$ be the index satisfying $w_{i}=u$. Consider the poset $P\setminus\left\\{u\right\\}$. This poset has size $\left|P\setminus\left\\{u\right\\}\right|=\underbrace{\left|P\right|}_{=N}-1=N-1$. Define a relation $\sim$ on $\mathcal{L}\left(P\setminus\left\\{u\right\\}\right)$ in the same way as the relation $\sim$ on $\mathcal{L}\left(P\right)$ was defined. Recall that $u$ is a maximal element of $P$. Hence, $\left(\begin{array}[c]{c}\text{if }\left(a_{1},a_{2},...,a_{N-1}\right)\text{ is a linear extension of }P\setminus\left\\{u\right\\}\text{, then}\\\ \left(a_{1},a_{2},...,a_{N-1},u\right)\text{ is a linear extension of }P\end{array}\right).$ (2) Moreover, just by recalling how the relations $\sim$ were defined, we can easily see that $\left(\begin{array}[c]{c}\text{if two linear extensions }\left(a_{1},a_{2},...,a_{N-1}\right)\text{ and }\left(b_{1},b_{2},...,b_{N-1}\right)\text{ of }P\setminus\left\\{u\right\\}\\\ \text{satisfy }\left(a_{1},a_{2},...,a_{N-1}\right)\sim\left(b_{1},b_{2},...,b_{N-1}\right)\text{ in }\mathcal{L}\left(P\setminus\left\\{u\right\\}\right)\text{, then}\\\ \left(a_{1},a_{2},...,a_{N-1},u\right)\text{ and }\left(b_{1},b_{2},...,b_{N-1},u\right)\text{ are two linear extensions}\\\ \text{of }P\text{ satisfying }\left(a_{1},a_{2},...,a_{N-1},u\right)\sim\left(b_{1},b_{2},...,b_{N-1},u\right)\text{ in }\mathcal{L}\left(P\right)\end{array}\right)$ (3) (here, the fact that $\left(a_{1},a_{2},...,a_{N-1},u\right)$ and $\left(b_{1},b_{2},...,b_{N-1},u\right)$ are linear extensions of $P$ follows from (2)). It is rather clear that $\left(v_{1},v_{2},...,v_{N-1}\right)$ and $\left(w_{1},w_{2},...,w_{i-1},w_{i+1},w_{i+2},...,w_{N}\right)$ are two linear extensions of the poset $P\setminus\left\\{u\right\\}$ (since they are obtained from the linear extensions $\left(v_{1},v_{2},...,v_{N}\right)$ and $\left(w_{1},w_{2},...,w_{N}\right)$ of $P$ by removing $u$). Since we can apply Proposition 1.7 to this poset $P\setminus\left\\{u\right\\}$ in lieu of $P$ (by the induction hypothesis, since $\left|P\setminus\left\\{u\right\\}\right|=N-1$), we thus see that $\left(v_{1},v_{2},...,v_{N-1}\right)\sim\left(w_{1},w_{2},...,w_{i-1},w_{i+1},w_{i+2},...,w_{N}\right)$ in $\mathcal{L}\left(P\setminus\left\\{u\right\\}\right)$. By (3), this yields that $\left(v_{1},v_{2},...,v_{N-1},u\right)$ and $\left(w_{1},w_{2},...,w_{i-1},w_{i+1},w_{i+2},...,w_{N},u\right)$ are two linear extensions of $P$ satisfying $\left(v_{1},v_{2},...,v_{N-1},u\right)\sim\left(w_{1},w_{2},...,w_{i-1},w_{i+1},w_{i+2},...,w_{N},u\right)$ in $\mathcal{L}\left(P\right)$. Now, we know that the tuple $\left(w_{1},w_{2},...,w_{N}\right)$ is a linear extension of $P$. Since $\displaystyle\left(w_{1},w_{2},...,w_{N}\right)$ $\displaystyle=\left(w_{1},w_{2},...,w_{i-1},\underbrace{w_{i}}_{=u},w_{i+1},w_{i+2},...,w_{N}\right)=\left(w_{1},w_{2},...,w_{i-1},u,w_{i+1},w_{i+2},...,w_{N}\right),$ this rewrites as follows: The tuple $\left(w_{1},w_{2},...,w_{i-1},u,w_{i+1},w_{i+2},...,w_{N}\right)$ is a linear extension of $P$. Hence, we can apply Lemma 1.8 to $k=i-1$, $\ell=N-i$, $a_{j}=w_{j}$ and $b_{j}=w_{i+j}$. As a result, we see that $\left(w_{1},w_{2},...,w_{i-1},w_{i+1},w_{i+2},...,w_{N},u\right)$ is a linear extension of $P$ satisfying $\left(w_{1},w_{2},...,w_{i-1},u,w_{i+1},w_{i+2},...,w_{N}\right)\sim\left(w_{1},w_{2},...,w_{i-1},w_{i+1},w_{i+2},...,w_{N},u\right)$. Since the relation $\sim$ is symmetric (because $\sim$ is an equivalence relation), this yields $\left(w_{1},w_{2},...,w_{i-1},w_{i+1},w_{i+2},...,w_{N},u\right)\sim\left(w_{1},w_{2},...,w_{i-1},u,w_{i+1},w_{i+2},...,w_{N}\right).$ Altogether, $\displaystyle\left(v_{1},v_{2},...,v_{N}\right)$ $\displaystyle=\left(v_{1},v_{2},...,v_{N-1},\underbrace{v_{N}}_{=u}\right)=\left(v_{1},v_{2},...,v_{N-1},u\right)$ $\displaystyle\sim\left(w_{1},w_{2},...,w_{i-1},w_{i+1},w_{i+2},...,w_{N},u\right)$ $\displaystyle\sim\left(w_{1},w_{2},...,w_{i-1},\underbrace{u}_{=w_{i}},w_{i+1},w_{i+2},...,w_{N}\right)$ $\displaystyle=\left(w_{1},w_{2},...,w_{i-1},w_{i},w_{i+1},w_{i+2},...,w_{N}\right)=\left(w_{1},w_{2},...,w_{N}\right).$ We thus have shown that any two elements $\left(v_{1},v_{2},...,v_{N}\right)$ and $\left(w_{1},w_{2},...,w_{N}\right)$ of $\mathcal{L}\left(P\right)$ satisfy $\left(v_{1},v_{2},...,v_{N}\right)\sim\left(w_{1},w_{2},...,w_{N}\right)$. In other words, Proposition 1.7 is proven for $\left|P\right|=N$, so the induction step is complete, and Proposition 1.7 is proven. ∎ ## 2 Birational rowmotion In this section, we introduce the basic objects whose nature we will investigate: labellings of a finite poset $P$ (by elements of a field) and a birational map between them called “birational rowmotion”. This map generalizes (in a certain sense) the notion of ordinary rowmotion on the set $J\left(P\right)$ of order ideals of $P$ to the vastly more general setting of field-valued labellings. We will discuss the technical concerns raised by the definitions, and provide two examples and an alternative description of birational rowmotion. A deeper study of birational rowmotion is deferred to the following sections. The concepts which we are going to define now go back to [EiPr13] and earlier sources, and are often motivated there. The reader should be warned that the notations used in [EiPr13] are not identical with those used in the present paper (not to mention that [EiPr13] is working over $\mathbb{R}_{+}$ rather than over fields as we do). ###### Definition 2.1. Let $P$ be a poset. Then, $\widehat{P}$ will denote the poset defined as follows: As a set, let $\widehat{P}$ be the disjoint union of the set $P$ with the two-element set $\left\\{0,1\right\\}$. The smaller-or-equal relation $\leqslant$ on $\widehat{P}$ will be given by $\left(a\leqslant b\right)\Longleftrightarrow\left(\text{either }\left(a\in P\text{ and }b\in P\text{ and }a\leqslant b\text{ in }P\right)\text{ or }a=0\text{ or }b=1\right)$ 101010Here and in the following, the expression “either/or” always has a non-exclusive meaning. (Thus, in particular, $0\leqslant 1$ in $\widehat{P}$.) . Here and in the following, we regard the canonical injection of the set $P$ into the disjoint union $\widehat{P}$ as an inclusion; thus, $P$ becomes a subposet of $\widehat{P}$. In the terminology of Stanley’s [Stan11, section 3.2], this poset $\widehat{P}$ is the ordinal sum $\left\\{0\right\\}\oplus P\oplus\left\\{1\right\\}$. ###### Convention 2.2. Let $P$ is a finite poset, and let $u$ and $v$ be two elements of $P$. Then, $u$ and $v$ are also elements of $\widehat{P}$ (since we are regarding $P$ as a subposet of $\widehat{P}$). Thus, strictly speaking, statements like “$u<v$” or “$u\lessdot v$” are ambiguous because it is not clear whether they are referring to the poset $P$ or to the poset $\widehat{P}$. However, this ambiguity is irrelevant, because it is easily seen that the truth of each of the statements “$u<v$”, “$u\leqslant v$”, “$u>v$”, “$u\geqslant v$”, “$u\lessdot v$”, “$u\gtrdot v$” and “$u$ and $v$ are incomparable” is independent on whether it refers to the poset $P$ or to the poset $\widehat{P}$. We are going to therefore omit mentioning the poset in these statements, unless there are other reasons for us to do so. ###### Definition 2.3. Let $P$ be a poset. Let $\mathbb{K}$ be a field. A $\mathbb{K}$-labelling of $P$ will mean a map $f:\widehat{P}\rightarrow\mathbb{K}$. Thus, $\mathbb{K}^{\widehat{P}}$ is the set of all $\mathbb{K}$-labellings of $P$. If $f$ is a $\mathbb{K}$-labelling of $P$ and $v$ is an element of $\widehat{P}$, then $f\left(v\right)$ will be called the label of $f$ at $v$. ###### Definition 2.4. In the following, whenever we are working with a field $\mathbb{K}$, we are going to tacitly assume that $\mathbb{K}$ is either infinite or at least can be enlarged when necessity arises. This assumption is needed in order to clarify the notions of rational maps and generic elements of algebraic varieties over $\mathbb{K}$. (We will not require $\mathbb{K}$ to be algebraically closed.) We will use the terminology of algebraic varieties and rational maps between them, although the only algebraic varieties that we will be considering are products of affine and projective spaces, as well as their open subsets. We use the punctured arrow $\dashrightarrow$ to signify rational maps (i.e., a rational map from a variety $U$ to a variety $V$ is called a rational map $U\dashrightarrow V$). A rational map $U\dashrightarrow V$ is said to be dominant if its image is dense in $V$ (with respect to the Zariski topology). The words “generic” and “almost” will always refer to the Zariski topology. For example, if $U$ is a finite set, then an assertion saying that some statement holds “for almost every point $p\in\mathbb{K}^{U}$” is supposed to mean that there is a Zariski-dense open subset $D$ of $\mathbb{K}^{U}$ such that this statement holds for every point $p\in D$. A “generic” point on an algebraic variety $V$ (for example, this can be a “generic matrix” when $V$ is a space of matrices, or a “generic $\mathbb{K}$-labelling of a poset $P$” when $V$ is the space of all $\mathbb{K}$-labellings of $P$) means a point lying in some fixed Zariski-dense open subset $S$ of $V$; the concrete definition of $S$ can usually be inferred from the context (often, it will be the subset of $V$ on which everything we want to do with our point is well-defined), but of course should never depend on the actual point. (Note that one often has to read the whole proof in order to be able to tell what this $S$ is. This is similar to the use of the “for $\epsilon$ small enough” wording in analysis, where it is often not clear until the end of the proof how small exactly the $\epsilon$ needs to be.) We are sometimes going to abuse notation and say that an equality holds “for every point” instead of “for almost every point” when it is really clear what the $S$ is. (For example, if we say that “the equality $\dfrac{x^{3}-y^{3}}{x-y}=x^{2}+xy+y^{2}$ holds for every $x\in\mathbb{K}$ and $y\in\mathbb{K}$”, it is clear that $S$ has to be the set $\mathbb{K}^{2}\setminus\left\\{\left(x,y\right)\in\mathbb{K}^{2}\mid x=y\right\\}$, because the left hand side of the equality makes no sense when $\left(x,y\right)$ is outside of this set.) ###### Remark 2.5. Most statements that we make below work not only for fields, but also more generally for semifields111111The word “semifield” here means a commutative semiring in which each element other than $0$ has a multiplicative inverse. (In contrast to other authors’ conventions, our semifields do have zeroes.) A semiring is defined as a set with two binary operations called “addition” and “multiplication” and two elements $0$ and $1$ which satisfies all axioms of a ring (in particular, it must be associative and satisfy $0\cdot a=a\cdot 0=0$ and $1\cdot a=a\cdot 1=a$ for all $a$) except for having additive inverses. such as the semifield $\mathbb{Q}_{+}$ of positive rationals or the tropical semiring. Some (but not all!) statements actually simplify when the underlying field is replaced by a semifield in which no two nonzero elements add to zero (because in such cases, e.g., the denominators in (4) cannot become zero unless some labels of $f$ are $0$). Thus, working with such semifields instead of fields would save us the trouble of having things defined “almost everywhere”. Moreover, applying our results to the tropical semifield would yield some of the statements about order polytopes made in [EiPr13]. Nevertheless, we prefer to work with fields, for the following reasons: – While most of our results can be formulated for semifields, not all of them can (and sometimes, even when a result holds over semifields, its proof might not work over semifields). In particular, Proposition 13.13 makes no sense over semifields, because determinants involve subtraction. Also, if we were to work in semifields which do contain two nonzero elements summing up to zero, then we would still have the issue of zero denominators, but we are not aware of a theoretical framework in the spirit of Zariski topology for fields to reassure us in this case that these issues are negligible. – If an identity between subtraction-free rational expressions (such as $\dfrac{x^{3}+y^{3}}{x+y}+3xy=\left(x+y\right)^{2}$) holds over every field (as long as the denominators involved are nonzero), then it must hold over every semifield as well (again as long as the denominators involved are nonzero), even if the identity has only been proven with the help of subtraction (e.g., a proof of $\dfrac{x^{3}+y^{3}}{x+y}+3xy=\left(x+y\right)^{2}$ over a field can begin by simplifying $\dfrac{x^{3}+y^{3}}{x+y}$ to $x^{2}-xy+y^{2}$, a technique not available over a semifield). This is simply because every true identity between subtraction-free rational expressions can be verified by multiplying by a common denominator (an operation which does not introduce any subtractions) and comparing coefficients. Since our main results (such as Theorem 11.7, or the $p+q\mid\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)$ part of Theorem 11.5) can be construed as identities between subtraction-free rational expressions, this yields that all these results hold over any semifield (provided the denominators are nonzero) if they hold over every field. So we are not losing any generality by restricting ourselves to considering only fields. ###### Definition 2.6. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Let $v\in P$. We define a rational map $T_{v}:\mathbb{K}^{\widehat{P}}\dashrightarrow\mathbb{K}^{\widehat{P}}$ by $\left(T_{v}f\right)\left(w\right)=\left\\{\begin{array}[c]{l}f\left(w\right),\ \ \ \ \ \ \ \ \ \ \text{if }w\neq v;\\\ \dfrac{1}{f\left(v\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\lessdot v\end{subarray}}f\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{f\left(u\right)}},\ \ \ \ \ \ \ \ \ \ \text{if }w=v\end{array}\right.\ \ \ \ \ \ \ \ \ \ \text{for all }w\in\widehat{P}$ (4) for all $f\in\mathbb{K}^{\widehat{P}}$. Note that this rational map $T_{v}$ is well-defined, because the right-hand side of (4) is well-defined on a Zariski- dense open subset of $\mathbb{K}^{\widehat{P}}$. (This follows from the fact that for every $v\in P$, there is at least one $u\in\widehat{P}$ such that $u\gtrdot v$ 121212Indeed, either there is at least one $u\in P$ such that $u\gtrdot v$ in $P$ (and therefore also $u\gtrdot v$ in $\widehat{P}$), or else $v$ is maximal in $P$ and then we have $1\gtrdot v$ in $\widehat{P}$..) This rational map $T_{v}$ is called the $v$-toggle. The map $T_{v}$ that we have just introduced (although defined over the semifield $\mathbb{R}_{+}$ instead of our field $\mathbb{K}$) is called a “birational toggle operation” in [EiPr13] (where it is denoted by $\phi_{i}$ with $i$ being a number indexing the elements $v$ of $P$; however, the same notation is used for the “tropicalized” version of $T_{v}$). As is clear from its definition, it only changes the label at the element $v$. Note also the following almost trivial fact: ###### Proposition 2.7. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Let $v\in P$. Then, the rational map $T_{v}$ is an involution, i.e., the map $T_{v}^{2}$ is well- defined on a Zariski-dense open subset of $\mathbb{K}^{\widehat{P}}$ and satisfies $T_{v}^{2}=\operatorname*{id}$ on this subset. We are calling this “almost trivial” because one subtlety is easily overlooked: We have to check that the map $T_{v}^{2}$ is well-defined on a Zariski-dense open subset of $\mathbb{K}^{\widehat{P}}$; this requires observing that for every $v\in P$, there exists at least one $u\in\widehat{P}$ such that $u\lessdot v$. Proposition 2.7 yields the following: ###### Corollary 2.8. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Let $v\in P$. Then, the map $T_{v}$ is a dominant rational map. The reader should remember that dominant rational maps (unlike general rational maps) can be composed, and their compositions are still dominant rational maps. Of course, we are brushing aside subtleties like the fact that dominant rational maps are defined only over infinite fields (unless we are considering them in a sufficiently formal sense); as far as this paper is concerned, it never hurts to extend the field $\mathbb{K}$ (say, by introducing a new indeterminate), so when in doubt the reader can assume that the field $\mathbb{K}$ is infinite. The following proposition is trivially obtained by rewriting (4); we are merely stating it for easier reference in proofs: ###### Proposition 2.9. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Let $v\in P$. For every $f\in\mathbb{K}^{\widehat{P}}$ for which $T_{v}f$ is well-defined, we have: (a) Every $w\in\widehat{P}$ such that $w\neq v$ satisfies $\left(T_{v}f\right)\left(w\right)=f\left(w\right)$. (b) We have $\left(T_{v}f\right)\left(v\right)=\dfrac{1}{f\left(v\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\lessdot v\end{subarray}}f\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{f\left(u\right)}}.$ It is very easy to check the following “locality principle”: ###### Proposition 2.10. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Let $v\in P$ and $w\in P$. Then, $T_{v}\circ T_{w}=T_{w}\circ T_{v}$, unless we have either $v\lessdot w$ or $w\lessdot v$. ###### Proof of Proposition 2.10 (sketched).. Assume that neither $v\lessdot w$ nor $w\lessdot v$. Also, WLOG, assume that $v\neq w$, lest the claim of the proposition be obvious. The action of $T_{v}$ on a labelling of $P$ merely changes the label at $v$. The new value depends on the label at $v$, on the labels at the elements $u\in\widehat{P}$ satisfying $u\lessdot v$, and on the labels at the elements $u\in\widehat{P}$ satisfying $u\gtrdot v$. A similar thing can be said about the action of $T_{w}$. Since we have neither $v\lessdot w$ nor $w\lessdot v$ nor $v=w$, it thus becomes clear that the actions of $T_{v}$ and $T_{w}$ don’t interfere with each other, in the sense that the changes made by either of them are the same no matter whether the other has been applied before it or not. That is, $T_{v}\circ T_{w}=T_{w}\circ T_{v}$, so that Proposition 2.10 is proven. ∎ ###### Corollary 2.11. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Let $v$ and $w$ be two elements of $P$ which are incomparable. Then, $T_{v}\circ T_{w}=T_{w}\circ T_{v}$. ###### . This follows from Proposition 2.10 because incomparable elements never cover each other. ∎ Combining Corollary 2.11 with Proposition 1.7, we obtain: ###### Corollary 2.12. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Let $\left(v_{1},v_{2},...,v_{m}\right)$ be a linear extension of $P$. Then, the dominant rational map $T_{v_{1}}\circ T_{v_{2}}\circ...\circ T_{v_{m}}:\mathbb{K}^{\widehat{P}}\dashrightarrow\mathbb{K}^{\widehat{P}}$ is well-defined and independent of the choice of the linear extension $\left(v_{1},v_{2},...,v_{m}\right)$. ###### Definition 2.13. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Birational rowmotion is defined as the dominant rational map $T_{v_{1}}\circ T_{v_{2}}\circ...\circ T_{v_{m}}:\mathbb{K}^{\widehat{P}}\dashrightarrow\mathbb{K}^{\widehat{P}}$, where $\left(v_{1},v_{2},...,v_{m}\right)$ is a linear extension of $P$. This rational map is well-defined (in particular, it does not depend on the linear extension $\left(v_{1},v_{2},...,v_{m}\right)$ chosen) because of Corollary 2.12 (and also because a linear extension of $P$ always exists; this is Theorem 1.4). This rational map will be denoted by $R$. The reason for the names “birational toggle” and “birational rowmotion” is explained in the paper [EiPr13], in which birational rowmotion (again, defined over $\mathbb{R}_{+}$ rather than over $\mathbb{K}$) is denoted (serendipitously from the standpoint of the second author of this paper) by $\rho_{\mathcal{B}}$. ###### Example 2.14. Let us demonstrate the effect of birational toggles and birational rowmotion on a rather simple $4$-element poset. Namely, for this example, we let $P$ be the poset $\left\\{p,q_{1},q_{2},q_{3}\right\\}$ with order relation defined by setting $p<q_{i}$ for each $i\in\left\\{1,2,3\right\\}$. This poset has Hasse diagram $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 6.81145pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&\\\&&\crcr}}}\ignorespaces{\hbox{\kern-6.81145pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{q_{1}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 30.81145pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{q_{2}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 68.43434pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{q_{3}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-23.0499pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 32.10727pt\raise-23.0499pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{p}$}}}}}}}{\hbox{\kern 72.24579pt\raise-23.0499pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ The extended poset $\widehat{P}$ has Hasse diagram $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 6.81145pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&\\\&&\\\&&\\\&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 32.1229pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{1\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 72.24579pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-6.81145pt\raise-23.14713pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{q_{1}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 30.81145pt\raise-23.14713pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{q_{2}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 68.43434pt\raise-23.14713pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{q_{3}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-46.19702pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 32.10727pt\raise-46.19702pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{p\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 72.24579pt\raise-46.19702pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-69.34415pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 32.1229pt\raise-69.34415pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{0}$}}}}}}}{\hbox{\kern 72.24579pt\raise-69.34415pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ We can visualize a $\mathbb{K}$-labelling $f$ of $P$ by replacing, in the Hasse diagram of $\widehat{P}$, each element $v\in\widehat{P}$ by the label $f\left(v\right)$. Let $f$ be a $\mathbb{K}$-labelling sending $0$, $p$, $q_{1}$, $q_{2}$, $q_{3}$, and $1$ to $a$, $w$, $x_{1}$, $x_{2}$, $x_{3}$, and $b$, respectively (for some elements $a$, $b$, $w$, $x_{1}$, $x_{2}$, $x_{3}$ of $\mathbb{K}$); this $f$ is then visualized as follows: $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 7.25763pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&\\\&&\\\&&\\\&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 33.36943pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 74.03052pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-7.25763pt\raise-23.32713pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{x_{1}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 31.25763pt\raise-23.32713pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{x_{2}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 69.77289pt\raise-23.32713pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{x_{3}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-45.33482pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 31.80113pt\raise-45.33482pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{w\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 74.03052pt\raise-45.33482pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-66.44029pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 32.87231pt\raise-66.44029pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{a}$}}}}}}}{\hbox{\kern 74.03052pt\raise-66.44029pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ Now, recall the definition of birational rowmotion $R$ on our poset $P$. Since $\left(p,q_{1},q_{2},q_{3}\right)$ is a linear extension of $P$, we have $R=T_{p}\circ T_{q_{1}}\circ T_{q_{2}}\circ T_{q_{3}}$. Let us track how this transforms our labelling $f$: We first apply $T_{q_{3}}$, obtaining $\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{T_{q_{3}}f=\ }$$\textstyle{x_{1}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{x_{2}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{{\color[rgb]{1,0,0}\frac{bw}{x_{3}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{w\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{a}$ (where we colored the label at $q_{3}$ red to signify that it is the label at the element which got toggled). Indeed, the only label that changes under $T_{q_{3}}$ is the one at $q_{3}$, and this label becomes $\left(T_{q_{3}}f\right)\left(q_{3}\right)=\dfrac{1}{f\left(q_{3}\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\lessdot q_{3}\end{subarray}}f\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\gtrdot q_{3}\end{subarray}}\dfrac{1}{f\left(u\right)}}=\dfrac{1}{f\left(q_{3}\right)}\cdot\dfrac{f\left(p\right)}{\left(\dfrac{1}{f\left(1\right)}\right)}=\dfrac{1}{x_{3}}\cdot\dfrac{w}{\left(\dfrac{1}{b}\right)}=\dfrac{bw}{x_{3}}.$ Having applied $T_{q_{3}}$, we next apply $T_{q_{2}}$, obtaining $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 26.68622pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&\\\&&&\\\&&&\\\&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 54.94385pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 91.15761pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 131.50735pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-26.68622pt\raise-24.9256pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{T_{q_{2}}T_{q_{3}}f=\ }$}}}}}}}{\hbox{\kern 50.68622pt\raise-24.9256pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{x_{1}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 89.20148pt\raise-24.9256pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{{\color[rgb]{1,0,0}\frac{bw}{x_{2}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 127.4054pt\raise-24.9256pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{bw}{x_{3}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-48.53175pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 54.94385pt\raise-48.53175pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 89.58931pt\raise-48.53175pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{w\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 131.50735pt\raise-48.53175pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-69.63722pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 54.94385pt\raise-69.63722pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 90.66049pt\raise-69.63722pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{a}$}}}}}}}{\hbox{\kern 131.50735pt\raise-69.63722pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ Next, we apply $T_{q_{1}}$, obtaining $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 32.45296pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&\\\&&&\\\&&&\\\&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 60.55492pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 96.613pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 136.96275pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-32.45296pt\raise-24.9256pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{T_{q_{1}}T_{q_{2}}T_{q_{3}}f=\ }$}}}}}}}{\hbox{\kern 56.45296pt\raise-24.9256pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{{\color[rgb]{1,0,0}\frac{bw}{x_{1}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 94.65688pt\raise-24.9256pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{bw}{x_{2}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 132.8608pt\raise-24.9256pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{bw}{x_{3}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-48.53175pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 60.55492pt\raise-48.53175pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 95.04471pt\raise-48.53175pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{w\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 136.96275pt\raise-48.53175pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-69.63722pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 60.55492pt\raise-69.63722pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 96.11589pt\raise-69.63722pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{a}$}}}}}}}{\hbox{\kern 136.96275pt\raise-69.63722pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ Finally, we apply $T_{p}$, resulting in $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 37.47803pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&\\\&&&\\\&&&\\\&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 65.57999pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 111.9816pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 162.67487pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-37.47803pt\raise-24.9256pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{T_{p}T_{q_{1}}T_{q_{2}}T_{q_{3}}f=\ }$}}}}}}}{\hbox{\kern 61.47803pt\raise-24.9256pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{bw}{x_{1}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 110.02547pt\raise-24.9256pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{bw}{x_{2}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 158.5729pt\raise-24.9256pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{bw}{x_{3}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-51.49562pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 65.57999pt\raise-51.49562pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 99.68195pt\raise-51.49562pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{{\color[rgb]{1,0,0}\frac{ab}{x_{1}+x_{2}+x_{3}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 162.67487pt\raise-51.49562pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-75.56496pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 65.57999pt\raise-75.56496pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 111.48448pt\raise-75.56496pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{a}$}}}}}}}{\hbox{\kern 162.67487pt\raise-75.56496pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces,$ since the birational $p$-toggle $T_{p}$ has changed the label at $p$ to $\displaystyle\left(T_{p}T_{q_{1}}T_{q_{2}}T_{q_{3}}f\right)\left(p\right)$ $\displaystyle=\dfrac{1}{\left(T_{q_{1}}T_{q_{2}}T_{q_{3}}f\right)\left(p\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\lessdot p\end{subarray}}\left(T_{q_{1}}T_{q_{2}}T_{q_{3}}f\right)\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\gtrdot p\end{subarray}}\dfrac{1}{\left(T_{q_{1}}T_{q_{2}}T_{q_{3}}f\right)\left(u\right)}}$ $\displaystyle=\dfrac{1}{\left(T_{q_{1}}T_{q_{2}}T_{q_{3}}f\right)\left(p\right)}\cdot\dfrac{\left(T_{q_{1}}T_{q_{2}}T_{q_{3}}f\right)\left(0\right)}{\dfrac{1}{\left(T_{q_{1}}T_{q_{2}}T_{q_{3}}f\right)\left(q_{1}\right)}+\dfrac{1}{\left(T_{q_{1}}T_{q_{2}}T_{q_{3}}f\right)\left(q_{2}\right)}+\dfrac{1}{\left(T_{q_{1}}T_{q_{2}}T_{q_{3}}f\right)\left(q_{3}\right)}}$ $\displaystyle=\dfrac{1}{w}\cdot\dfrac{a}{\dfrac{1}{bw\diagup x_{1}}+\dfrac{1}{bw\diagup x_{2}}+\dfrac{1}{bw\diagup x_{3}}}=\dfrac{ab}{x_{1}+x_{2}+x_{3}}.$ We thus have computed $Rf$ (since $R=T_{p}T_{q_{1}}T_{q_{2}}T_{q_{3}}T_{q_{4}}$). By repeating this procedure (or just substituting the labels of $Rf$ obtained as variables), we can compute $R^{2}f$, $R^{3}f$ etc.. Specifically, we obtain $\displaystyle\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 18.98781pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&\\\&&&\\\&&&\\\&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 95.08977pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 189.49138pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 288.18465pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-18.98781pt\raise-24.85406pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{Rf=\ }$}}}}}}}{\hbox{\kern 90.98781pt\raise-24.85406pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{bw}{x_{1}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 187.53525pt\raise-24.85406pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{bw}{x_{2}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 284.08269pt\raise-24.85406pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 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0.0pt\hbox{$\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 269.67596pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-20.38782pt\raise-25.56323pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{R^{6}f=\ }$}}}}}}}{\hbox{\kern 92.38782pt\raise-25.56323pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{x_{1}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 178.90308pt\raise-25.56323pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{x_{2}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 265.41833pt\raise-25.56323pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{x_{3}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-49.80702pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 96.64545pt\raise-49.80702pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 179.44658pt\raise-49.80702pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{w\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 269.67596pt\raise-49.80702pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-70.91249pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 96.64545pt\raise-70.91249pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 180.51776pt\raise-70.91249pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{a}$}}}}}}}{\hbox{\kern 269.67596pt\raise-70.91249pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ There are several patterns here that catch the eye, some of which are related to the very simple structure of $P$ and don’t seem to generalize well. However, the most striking observation here is that $R^{n}f=f$ for some positive integer $n$ (namely, $n=6$ for this particular $P$). We will see in Proposition 9.7 that this generalizes to a rather wide class of posets, which we call “skeletal posets” (defined in Definition 9.5), a class of posets which contain (in particular) all graded forests such as our poset $P$ here. (See Definition 9.5 for the definitions of the concepts involved here.) ###### Example 2.15. Let us demonstrate the effect of birational toggles and birational rowmotion on another $4$-element poset. Namely, for this example, we let $P$ be the poset $\left\\{1,2\right\\}\times\left\\{1,2\right\\}$ with order relation defined by setting $\left(i,k\right)\leqslant\left(i^{\prime},k^{\prime}\right)$ if and only if $\left(i\leqslant i^{\prime}\text{ and }k\leqslant k^{\prime}\right)$. This poset will later be called the “$2\times 2$-rectangle” in Definition 11.1. It has Hasse diagram $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 14.11111pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&\\\&&\\\&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 16.51108pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 58.24438pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-14.11111pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,1\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 27.6222pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 47.13327pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 16.51108pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,1\right)}$}}}}}}}{\hbox{\kern 58.24438pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ The extended poset $\widehat{P}$ has Hasse diagram $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 14.11111pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&\\\&&\\\&&\\\&&\\\&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 25.1222pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{1\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 58.24438pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-25.02214pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 16.51108pt\raise-25.02214pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 58.24438pt\raise-25.02214pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-14.11111pt\raise-51.82207pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,1\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 27.6222pt\raise-51.82207pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 47.13327pt\raise-51.82207pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-78.622pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 16.51108pt\raise-78.622pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,1\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 58.24438pt\raise-78.622pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-103.64413pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 25.1222pt\raise-103.64413pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{0}$}}}}}}}{\hbox{\kern 58.24438pt\raise-103.64413pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ We can visualize a $\mathbb{K}$-labelling $f$ of $P$ by replacing, in the Hasse diagram of $\widehat{P}$, each element $v\in\widehat{P}$ by the label $f\left(v\right)$. Let $f$ be a $\mathbb{K}$-labelling sending $0$, $\left(1,1\right)$, $\left(1,2\right)$, $\left(2,1\right)$, $\left(2,2\right)$, and $1$ to $a$, $w$, $y$, $x$, $z$, and $b$, respectively (for some elements $a$, $b$, $x$, $y$, $z$, $w$ of $\mathbb{K}$); this $f$ is then visualized as follows: $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 15.15274pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&\\\&&&\\\&&&\\\&&&\\\&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 20.41034pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 33.23624pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 50.12695pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-22.42491pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 20.41034pt\raise-22.42491pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 32.83691pt\raise-22.42491pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{z\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 50.12695pt\raise-22.42491pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-15.15274pt\raise-45.82205pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{f=\ }$}}}}}}}{\hbox{\kern 17.5527pt\raise-45.82205pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{x\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 35.38206pt\raise-45.82205pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 47.49615pt\raise-45.82205pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{y\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-69.2192pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 20.41034pt\raise-69.2192pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 31.66794pt\raise-69.2192pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{w\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 50.12695pt\raise-69.2192pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-90.32466pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 20.41034pt\raise-90.32466pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 32.73912pt\raise-90.32466pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{a}$}}}}}}}{\hbox{\kern 50.12695pt\raise-90.32466pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ Now, recall the definition of birational rowmotion $R$ on our poset $P$. Since $\left(\left(1,1\right),\left(1,2\right),\left(2,1\right),\left(2,2\right)\right)$ is a linear extension of $P$, we have $R=T_{\left(1,1\right)}\circ T_{\left(1,2\right)}\circ T_{\left(2,1\right)}\circ T_{\left(2,2\right)}$. Let us track how this transforms our labelling $f$: We first apply $T_{\left(2,2\right)}$, obtaining $\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{{\color[rgb]{1,0,0}\frac{b\left(x+y\right)}{z}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{T_{\left(2,2\right)}f=\ }$$\textstyle{x\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{y\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{w\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{a}$ (where we colored the label at $\left(2,2\right)$ red to signify that it is the label at the element which got toggled). Indeed, the only label that changes under $T_{\left(2,2\right)}$ is the one at $\left(2,2\right)$, and this label becomes $\displaystyle\left(T_{\left(2,2\right)}f\right)\left(2,2\right)$ $\displaystyle=\dfrac{1}{f\left(\left(2,2\right)\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\lessdot\left(2,2\right)\end{subarray}}f\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\gtrdot\left(2,2\right)\end{subarray}}\dfrac{1}{f\left(u\right)}}=\dfrac{1}{f\left(\left(2,2\right)\right)}\cdot\dfrac{f\left(\left(1,2\right)\right)+f\left(\left(2,1\right)\right)}{\left(\dfrac{1}{f\left(1\right)}\right)}$ $\displaystyle=\dfrac{1}{z}\cdot\dfrac{y+x}{\left(\dfrac{1}{b}\right)}=\dfrac{b\left(x+y\right)}{z}.$ Having applied $T_{\left(2,2\right)}$, we next apply $T_{\left(2,1\right)}$, obtaining $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 33.89651pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&\\\&&&\\\&&&\\\&&&\\\&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 39.15411pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 59.05432pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 93.77687pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-25.27908pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 39.15411pt\raise-25.27908pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 50.41171pt\raise-25.27908pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{b\left(x+y\right)}{z}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 93.77687pt\raise-25.27908pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-33.89651pt\raise-53.42969pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{T_{\left(2,1\right)}T_{\left(2,2\right)}f=\ }$}}}}}}}{\hbox{\kern 36.29648pt\raise-53.42969pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{x\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 61.20015pt\raise-53.42969pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 80.38855pt\raise-53.42969pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{{\color[rgb]{1,0,0}\frac{b\left(x+y\right)w}{yz}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-78.72612pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 39.15411pt\raise-78.72612pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 57.48602pt\raise-78.72612pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{w\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 93.77687pt\raise-78.72612pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-99.83159pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 39.15411pt\raise-99.83159pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 58.5572pt\raise-99.83159pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{a}$}}}}}}}{\hbox{\kern 93.77687pt\raise-99.83159pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ Next, we apply $T_{\left(1,2\right)}$, obtaining $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 43.2684pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&\\\&&&\\\&&&\\\&&&\\\&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 59.05669pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 89.48758pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 124.21013pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-25.27908pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 59.05669pt\raise-25.27908pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 80.84497pt\raise-25.27908pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{b\left(x+y\right)}{z}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 124.21013pt\raise-25.27908pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-43.2684pt\raise-53.42969pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{T_{\left(1,2\right)}T_{\left(2,1\right)}T_{\left(2,2\right)}f=\ }$}}}}}}}{\hbox{\kern 45.66837pt\raise-53.42969pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{{\color[rgb]{1,0,0}\frac{b\left(x+y\right)w}{xz}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 91.6334pt\raise-53.42969pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 110.82181pt\raise-53.42969pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{b\left(x+y\right)w}{yz}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-78.72612pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 59.05669pt\raise-78.72612pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 87.91928pt\raise-78.72612pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{w\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 124.21013pt\raise-78.72612pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-99.83159pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 59.05669pt\raise-99.83159pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 88.99046pt\raise-99.83159pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{a}$}}}}}}}{\hbox{\kern 124.21013pt\raise-99.83159pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ Finally, we apply $T_{\left(1,1\right)}$, resulting in $\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\frac{b\left(x+y\right)}{z}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{Rf=T_{\left(1,1\right)}T_{\left(1,2\right)}T_{\left(2,1\right)}T_{\left(2,2\right)}f=\ }$$\textstyle{\frac{b\left(x+y\right)w}{xz}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\frac{b\left(x+y\right)w}{yz}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{{\color[rgb]{1,0,0}\frac{ab}{z}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{a}$ (after cancelling terms). We thus have computed $Rf$. By repeating this procedure (or just substituting the labels of $Rf$ obtained as variables), we can compute $R^{2}f$, $R^{3}f$ etc.. Specifically, we obtain $\displaystyle\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 18.98781pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&\\\&&&\\\&&&\\\&&&\\\&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 34.7761pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 65.20699pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 99.92953pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-25.27908pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 34.7761pt\raise-25.27908pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 56.56438pt\raise-25.27908pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{b\left(x+y\right)}{z}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 99.92953pt\raise-25.27908pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-18.98781pt\raise-52.77344pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{Rf=\ }$}}}}}}}{\hbox{\kern 21.38777pt\raise-52.77344pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{b\left(x+y\right)w}{xz}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 67.35281pt\raise-52.77344pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 86.54121pt\raise-52.77344pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{b\left(x+y\right)w}{yz}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-79.19833pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 34.7761pt\raise-79.19833pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 64.00067pt\raise-79.19833pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{ab}{z}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 99.92953pt\raise-79.19833pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-102.08852pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 34.7761pt\raise-102.08852pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 64.70987pt\raise-102.08852pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{a}$}}}}}}}{\hbox{\kern 99.92953pt\raise-102.08852pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces,\ \ \ \ \ \ \ \ \ \ \lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 20.38782pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&\\\&&&\\\&&&\\\&&&\\\&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 26.13992pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 49.13452pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{b\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces{}{\hbox{\lx@xy@droprule}}\ignorespaces{}{\hbox{\lx@xy@droprule}}{\hbox{\lx@xy@droprule}}{\hbox{\kern 76.42078pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-25.95963pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 26.13992pt\raise-25.95963pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 37.89203pt\raise-25.95963pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\frac{b\left(x+y\right)w}{xy}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 76.42078pt\raise-25.95963pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-20.38782pt\raise-53.85965pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{R^{2}f=\ }$}}}}}}}{\hbox{\kern 22.78778pt\raise-53.85965pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 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First, it turns out that $R^{4}f=f$. This is not obvious, but generalizes in at least two ways: On the one hand, our poset $P$ is a particular case of what we call a “skeletal poset” (Definition 9.5), a class of posets which all share the property (Proposition 9.7) that $R^{n}=\operatorname*{id}$ for some sufficiently high positive integer $n$ (which can be explicitly computed). On the other hand, our poset $P$ is a particular case of rectangle posets, which turn out (Theorem 11.5) to satisfy $R^{p+q}=\operatorname*{id}$ with $p$ and $q$ being the side lengths (here, $2$ and $2$) of the rectangle. Second, on a more subtle level, the rational functions appearing as labels in $Rf$, $R^{2}f$ and $R^{3}f$ are not as “wild” as one might expect. The values $\left(Rf\right)\left(\left(1,1\right)\right)$, $\left(R^{2}f\right)\left(\left(1,2\right)\right)$, $\left(R^{2}f\right)\left(\left(2,1\right)\right)$ and $\left(R^{3}f\right)\left(\left(2,2\right)\right)$ each have the form $\dfrac{ab}{f\left(v\right)}$ for some $v\in P$. This is a “reciprocity” phenomenon which turns out to generalize to arbitrary rectangles (Theorem 11.7). In the above calculation, we used the linear extension $\left(\left(1,1\right),\left(1,2\right),\left(2,1\right),\left(2,2\right)\right)$ of $P$ to compute $R$ as $T_{\left(1,1\right)}\circ T_{\left(1,2\right)}\circ T_{\left(2,1\right)}\circ T_{\left(2,2\right)}$. We could have just as well used the linear extension $\left(\left(1,1\right),\left(2,1\right),\left(1,2\right),\left(2,2\right)\right)$, obtaining the same result. But we could not have used the list $\left(\left(1,1\right),\left(1,2\right),\left(2,2\right),\left(2,1\right)\right)$ (for example), since it is not a linear extension (and indeed, the order of $T_{\left(1,1\right)}\circ T_{\left(1,2\right)}\circ T_{\left(2,2\right)}\circ T_{\left(2,1\right)}$ is infinite, as follows from the results of [EiPr13, §12.2]). Let us state another proposition, which describes birational rowmotion implicitly: ###### Proposition 2.16. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Let $v\in P$. Let $f\in\mathbb{K}^{\widehat{P}}$. Then, $\left(Rf\right)\left(v\right)=\dfrac{1}{f\left(v\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\lessdot v\end{subarray}}f\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{\left(Rf\right)\left(u\right)}}.$ (5) Here (and in statements further down this paper), we are taking the liberty to leave assumptions such as “Assume that $Rf$ is well-defined” unsaid (for instance, such an assumption is needed in Proposition 2.16) because these assumptions are satisfied when the parameters belong to some Zariski-dense open subset of their domains. ###### Proof of Proposition 2.16 (sketched).. Fix a linear extension $\left(v_{1},v_{2},...,v_{m}\right)$ of $P$. Recall that $R$ has been defined as the composition $T_{v_{1}}\circ T_{v_{2}}\circ...\circ T_{v_{m}}$. Hence, $Rf$ can be obtained from $f$ by traversing the linear extension $\left(v_{1},v_{2},...,v_{m}\right)$ from right to left (thus starting with the largest element $v_{m}$, then proceeding to $v_{m-1}$, etc.), and at every step toggling the element being traversed. When an element $v$ is being toggled, the elements $u\in\widehat{P}$ satisfying $u\lessdot v$ have not yet been toggled (they are further left than $v$ in the linear extension), whereas those satisfying $u\gtrdot v$ have been toggled already. Denoting the state of the $\mathbb{K}$-labelling before the $v$-toggle by $g$, we see that the state after the $v$-toggle will be $T_{v}g$ with $\left(T_{v}g\right)\left(w\right)=\left\\{\begin{array}[c]{l}g\left(w\right),\ \ \ \ \ \ \ \ \ \ \text{if }w\neq v;\\\ \dfrac{1}{g\left(v\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\lessdot v\end{subarray}}g\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}},\ \ \ \ \ \ \ \ \ \ \text{if }w=v\end{array}\right.\ \ \ \ \ \ \ \ \ \ \text{for all }w\in\widehat{P}.$ (6) But $g\left(v\right)=f\left(v\right)$ (since $v$ has not yet been toggled at the time of $g$) and $\left(T_{v}g\right)\left(v\right)=\left(Rf\right)\left(v\right)$ (since $v$ has been toggled at the time of $T_{v}g$, and is not going to be toggled ever again during the process of computing $Rf$); moreover, all $u\in\widehat{P}$ satisfying $u\lessdot v$ satisfy $g\left(u\right)=f\left(u\right)$ (since these $u$ have not yet been toggled), whereas all $u\in\widehat{P}$ satisfying $u\gtrdot v$ satisfy $g\left(u\right)=\left(Rf\right)\left(u\right)$ (since these $u$ have already been toggled and will not be toggled ever again). Thus, (6) (applied to $w=v$) transforms into (5). Proposition 2.16 is proven. ∎ Here is a little triviality to complete the picture of Proposition 2.16: ###### Proposition 2.17. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Let $f\in\mathbb{K}^{\widehat{P}}$. Then, $\left(Rf\right)\left(0\right)=f\left(0\right)$ and $\left(Rf\right)\left(1\right)=f\left(1\right)$. ###### . This is clear since no toggle changes the labels at $0$ and $1$. ∎ We will often use Proposition 2.17 tacitly. A trivial corollary of Proposition 2.17 is: ###### Corollary 2.18. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Let $f\in\mathbb{K}^{\widehat{P}}$ and $\ell\in\mathbb{N}$. Then, $\left(R^{\ell}f\right)\left(0\right)=f\left(0\right)$ and $\left(R^{\ell}f\right)\left(1\right)=f\left(1\right)$. (Recall that $\mathbb{N}$ denotes the set $\left\\{0,1,2,...\right\\}$ in this paper.) We will also need a converse of Propositions 2.16 and 2.17: ###### Proposition 2.19. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Let $f\in\mathbb{K}^{\widehat{P}}$ and $g\in\mathbb{K}^{\widehat{P}}$ be such that $f\left(0\right)=g\left(0\right)$ and $f\left(1\right)=g\left(1\right)$. Assume that $g\left(v\right)=\dfrac{1}{f\left(v\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\lessdot v\end{subarray}}f\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}}\ \ \ \ \ \ \ \ \ \ \text{for every }v\in P.$ (7) (This means, in particular, that we assume that all denominators in (7) are nonzero.) Then, $g=Rf$. 131313More precisely, $Rf$ is well-defined and equal to $g$. ###### Proof of Proposition 2.19 (sketched).. It is clearly enough to show that $g\left(v\right)=\left(Rf\right)\left(v\right)$ for every $v\in\widehat{P}$. Since this is clear for $v=0$ (since $g\left(0\right)=f\left(0\right)=\left(Rf\right)\left(0\right)$), we only need to consider the case when $v\in\left\\{1\right\\}\cup P$. In this case, we can prove $g\left(v\right)=\left(Rf\right)\left(v\right)$ by descending induction over $v$ – that is, we assume as an induction hypothesis that $g\left(u\right)=\left(Rf\right)\left(u\right)$ holds for all elements $u\in\left\\{1\right\\}\cup P$ which are greater than $v$ in $\widehat{P}$. The induction base ($v=1$) is clear (just like $v=0$), and the induction step follows by comparing (5) with (7). We leave the details (including a check that $Rf$ is well-defined, which piggybacks on the induction) to the reader. ∎ As an aside, at this point we could give an alternative proof of Corollary 2.12, foregoing the use of Proposition 1.7. In fact, the proofs of Propositions 2.16, 2.17 and 2.19 only used that $R$ is a composition $T_{v_{1}}\circ T_{v_{2}}\circ...\circ T_{v_{m}}$ for some linear extension $\left(v_{1},v_{2},...,v_{m}\right)$ of $P$. Thus, starting with any linear extension $\left(v_{1},v_{2},...,v_{m}\right)$ of $P$, we could have defined $R$ as the composition $T_{v_{1}}\circ T_{v_{2}}\circ...\circ T_{v_{m}}$, and then used Propositions 2.16, 2.17 and 2.19 to characterize the image $Rf$ of a $\mathbb{K}$-labelling $f$ under this map $R$ in a unique way without reference to $\left(v_{1},v_{2},...,v_{m}\right)$, and thus concluded that $R$ does not depend on $\left(v_{1},v_{2},...,v_{m}\right)$. The details of this derivation are left to the reader. On a related note, Proposition 2.16, Proposition 2.17 and Proposition 2.19 combined can be used as an alternative definition of birational rowmotion $R$, which works even when the poset $P$ fails to be finite, as long as for every $v\in P$, there exist only finitely many $u\in P$ satisfying $u>v$ and there exist only finitely many $u\in P$ satisfying $u\lessdot v$ (provided that some technicalities arising from Zariski topology on infinite-dimensional spaces are dealt with).141414The asymmetry between the $>$ and $\lessdot$ signs in this requirement is intentional. For instance, birational rowmotion can be defined (but will not be invertible) for the poset $\left\\{0,-1,-2,-3,\ldots\right\\}$ (with the usual order relation), but not for the poset $\left\\{0,1,2,3,\ldots\right\\}$ (again with the usual order relation). We will not dwell on this. Another general property of birational rowmotion concerns the question of what happens if the birational toggles are composed not in the “from top to bottom” order as in the definition of birational rowmotion, but the other way round. It turns out that the result is the inverse of birational rowmotion: ###### Proposition 2.20. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Then, birational rowmotion $R$ is invertible (as a rational map). Its inverse $R^{-1}$ is $T_{v_{m}}\circ T_{v_{m-1}}\circ...\circ T_{v_{1}}:\mathbb{K}^{\widehat{P}}\dashrightarrow\mathbb{K}^{\widehat{P}}$, where $\left(v_{1},v_{2},...,v_{m}\right)$ is a linear extension of $P$. ###### Proof of Proposition 2.20 (sketched).. We know that $T_{w}$ is an involution for every $w\in P$. Thus, in particular, for every $w\in P$, the map $T_{w}$ is invertible and satisfies $T_{w}^{-1}=T_{w}$. Let $\left(v_{1},v_{2},...,v_{m}\right)$ be a linear extension of $P$. Then, $R=T_{v_{1}}\circ T_{v_{2}}\circ...\circ T_{v_{m}}$ (by the definition of $R$), so that $R^{-1}=T_{v_{m}}^{-1}\circ T_{v_{m-1}}^{-1}\circ...\circ T_{v_{1}}^{-1}$ (this makes sense since the map $T_{w}$ is invertible for every $w\in P$). Since $T_{w}^{-1}=T_{w}$ for every $w\in P$, this simplifies to $R^{-1}=T_{v_{m}}\circ T_{v_{m-1}}\circ...\circ T_{v_{1}}$. This proves Proposition 2.20. ∎ ## 3 Graded posets In this section, we restrict our attention to what we call graded posets (a notion that encompasses most of the posets we are interested in; see Definition 3.1), and define (for this kind of posets) a family of “refined rowmotion” operators $R_{i}$ which toggle only the labels of the $i$-th degree of the poset. These each turn out to be involutions, and their composition from top to bottom degree is $R$ on the entire poset. We will later on use these $R_{i}$ to get a better understanding of $R$ on graded posets. Let us first introduce our notion of a graded poset: ###### Definition 3.1. Let $P$ be a finite poset. Let $n$ be a nonnegative integer. We say that the poset $P$ is $n$-graded if there exists a surjective map $\deg:P\rightarrow\left\\{1,2,...,n\right\\}$ such that the following three assertions hold: Assertion 1: Any two elements $u$ and $v$ of $P$ such that $u\gtrdot v$ satisfy $\deg u=\deg v+1$. Assertion 2: We have $\deg u=1$ for every minimal element $u$ of $P$. Assertion 3: We have $\deg v=n$ for every maximal element $v$ of $P$. Note that the word “surjective” in Definition 3.1 is almost superfluous: Indeed, whenever $P\neq\varnothing$, then any map $\deg:P\rightarrow\left\\{1,2,...,n\right\\}$ satisfying the Assertions 1, 2 and 3 of Definition 3.1 is automatically surjective (this is easy to prove). But if $P=\varnothing$, such a map exists (vacuously) for every $n$, whereas requiring surjectivity forced $n=0$. ###### Example 3.2. The poset $\left\\{1,2\right\\}\times\left\\{1,2\right\\}$ studied in Example 2.15 is $3$-graded. The poset $P$ studied in Example 2.14 is $2$-graded. The empty poset is $0$-graded, but not $n$-graded for any positive $n$. A chain with $k$ elements is $k$-graded. ###### Definition 3.3. Let $P$ be a finite poset. We say that the poset $P$ is graded if there exists an $n\in\mathbb{N}$ such that $P$ is $n$-graded. This $n$ is then called the height of $P$. The reader should be warned that the notion of a “graded poset” is not standard across literature; we have found at least four non-equivalent definitions of this notion in different sources. ###### Definition 3.4. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Then, there exists a surjective map $\deg:P\rightarrow\left\\{1,2,...,n\right\\}$ that satisfies the Assertions 1, 2 and 3 of Definition 3.1. A moment of thought reveals that such a map $\deg$ is also uniquely determined by $P$ 151515In fact, if $v\in P$, then it is easy to see that $\deg v$ equals the number of elements of any maximal chain in $P$ with highest element $v$. This clearly determines $\deg v$ uniquely.. Thus, we will call $\deg$ the degree map of $P$. Moreover, we extend this map $\deg$ to a map $\widehat{P}\rightarrow\left\\{0,1,...,n+1\right\\}$ by letting it map $0$ to $0$ and $1$ to $n+1$. This extended map will also be denoted by $\deg$ and called the degree map. Notice that this extended map $\deg$ still satisfies Assertion 1 of Definition 3.1 if $P$ is replaced by $\widehat{P}$ in that assertion. For every $i\in\left\\{0,1,...,n+1\right\\}$, we will denote by $\widehat{P}_{i}$ the subset $\deg^{-1}\left(\left\\{i\right\\}\right)$ of $\widehat{P}$. For every $v\in\widehat{P}$, the number $\deg v$ is called the degree of $v$. The notion of an “$n$-graded poset” we just defined is identical with the notion of a “graded finite poset of rank $n-1$” as defined in [Stan11, §3.1]. The degree of an element $v$ of $P$ as defined in Definition 3.4 is off by $1$ from the rank of $v$ in $P$ in the sense of [Stan11, §3.1], but the degree $\deg v$ of an element $v$ of $\widehat{P}$ equals its rank in $\widehat{P}$ in the sense of [Stan11, §3.1]. The way we extended the map $\deg:P\rightarrow\left\\{1,2,...,n\right\\}$ to a map $\deg:\widehat{P}\rightarrow\left\\{0,1,...,n+1\right\\}$ in Definition 3.4, of course, was not arbitrary. In fact, it was tailored to make the following true: ###### Proposition 3.5. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $u\in\widehat{P}$ and $v\in\widehat{P}$. Consider the map $\deg:\widehat{P}\rightarrow\left\\{0,1,...,n+1\right\\}$ defined in Definition 3.4. (a) If $u\lessdot v$ in $\widehat{P}$, then $\deg u=\deg v-1$. (b) If $u<v$ in $\widehat{P}$, then $\deg u<\deg v$. (c) If $u<v$ in $\widehat{P}$ and $\deg u=\deg v-1$, then $u\lessdot v$ in $\widehat{P}$. (d) If $u\neq v$ and $\deg u=\deg v$, then $u$ and $v$ are incomparable in $\widehat{P}$. ###### . The rather simple proofs of these facts are left to the reader. (Note that part (a) incorporates all three Assertions 1, 2 and 3 of Definition 3.1.) ∎ In words, Proposition 3.5 (d) states that any two distinct elements of $\widehat{P}$ having the same degree are incomparable. We will use this several times below. One important observation is that any two distinct elements of a graded poset having the same degree are incomparable. Hence: ###### Corollary 3.6. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Let $i\in\left\\{1,2,...,n\right\\}$. Let $\left(u_{1},u_{2},...,u_{k}\right)$ be any list of the elements of $\widehat{P}_{i}$ with every element of $\widehat{P}_{i}$ appearing exactly once in the list. Then, the dominant rational map $T_{u_{1}}\circ T_{u_{2}}\circ...\circ T_{u_{k}}:\mathbb{K}^{\widehat{P}}\dashrightarrow\mathbb{K}^{\widehat{P}}$ is well-defined and independent of the choice of the list $\left(u_{1},u_{2},...,u_{k}\right)$. ###### Proof of Corollary 3.6 (sketched).. This is analogous to the proof of Corollary 2.12, because any two distinct elements of $\widehat{P}_{i}$ are incomparable. (In place of the set $\mathcal{L}\left(P\right)$ now serves the set of all lists of elements of $\widehat{P}_{i}$ (with every element of $\widehat{P}_{i}$ appearing exactly once in the list). Any two elements of this latter set are equivalent under the relation $\sim$, because any two adjacent elements in such a list of elements of $\widehat{P}_{i}$ are incomparable and can thus be switched.) ∎ ###### Definition 3.7. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Let $i\in\left\\{1,2,...,n\right\\}$. Then, let $R_{i}$ denote the dominant rational map $T_{u_{1}}\circ T_{u_{2}}\circ...\circ T_{u_{k}}:\mathbb{K}^{\widehat{P}}\dashrightarrow\mathbb{K}^{\widehat{P}}$, where $\left(u_{1},u_{2},...,u_{k}\right)$ is any list of the elements of $\widehat{P}_{i}$ with every element of $\widehat{P}_{i}$ appearing exactly once in the list. This map $T_{u_{1}}\circ T_{u_{2}}\circ...\circ T_{u_{k}}$ is well-defined (in particular, it does not depend on the list $\left(u_{1},u_{2},...,u_{k}\right)$) because of Corollary 3.6. ###### Proposition 3.8. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Then, $R=R_{1}\circ R_{2}\circ...\circ R_{n}.$ (8) ###### Proof of Proposition 3.8 (sketched).. For every $i\in\left\\{1,2,...,n\right\\}$, let $\left(u_{1}^{\left[i\right]},u_{2}^{\left[i\right]},...,u_{k_{i}}^{\left[i\right]}\right)$ be a list of the elements of $\widehat{P}_{i}$ with every element of $\widehat{P}_{i}$ appearing exactly once in the list. Then, every $i\in\left\\{1,2,...,n\right\\}$ satisfies $R_{i}=T_{u_{1}^{\left[i\right]}}\circ T_{u_{2}^{\left[i\right]}}\circ...\circ T_{u_{k_{i}}^{\left[i\right]}}$. But any listing of the elements of $P$ in order of increasing degree is a linear extension of $P$ (because any two distinct elements of a graded poset having the same degree are incomparable). Thus, $\left(u_{1}^{\left[1\right]},u_{2}^{\left[1\right]},...,u_{k_{1}}^{\left[1\right]},\ \ \ u_{1}^{\left[2\right]},u_{2}^{\left[2\right]},...,u_{k_{2}}^{\left[2\right]},\ \ \ ...,\ \ \ u_{1}^{\left[n\right]},u_{2}^{\left[n\right]},...,u_{k_{n}}^{\left[n\right]}\right)$ is a linear extension of $P$. Thus, by the definition of $R$, we have $\displaystyle R$ $\displaystyle=\left(T_{u_{1}^{\left[1\right]}}\circ T_{u_{2}^{\left[1\right]}}\circ...\circ T_{u_{k_{1}}^{\left[1\right]}}\right)\circ\left(T_{u_{1}^{\left[2\right]}}\circ T_{u_{2}^{\left[2\right]}}\circ...\circ T_{u_{k_{2}}^{\left[2\right]}}\right)\circ...\circ\left(T_{u_{1}^{\left[n\right]}}\circ T_{u_{2}^{\left[n\right]}}\circ...\circ T_{u_{k_{n}}^{\left[n\right]}}\right)$ $\displaystyle=R_{1}\circ R_{2}\circ...\circ R_{n}$ (since every $i\in\left\\{1,2,...,n\right\\}$ satisfies $T_{u_{1}^{\left[i\right]}}\circ T_{u_{2}^{\left[i\right]}}\circ...\circ T_{u_{k_{i}}^{\left[i\right]}}=R_{i}$). This proves Proposition 3.8. ∎ We recall that birational rowmotion is a composition of toggle maps. As Proposition 3.8 shows, the operators $R_{i}$ are an “intermediate” step between these toggle maps and birational rowmotion as a whole, though they are defined only when the poset $P$ is graded. They will be rather useful for us in our understanding of birational rowmotion (and the condition on $P$ to be graded doesn’t prevent us from using them, since most of our results concern only graded posets anyway). ###### Proposition 3.9. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Let $i\in\left\\{1,2,...,n\right\\}$. Then, $R_{i}$ is an involution (that is, $R_{i}^{2}=\operatorname*{id}$ on the set where $R_{i}$ is defined). ###### Proof of Proposition 3.9 (sketched).. We defined $R_{i}$ as the composition $T_{u_{1}}\circ T_{u_{2}}\circ...\circ T_{u_{k}}$ of the toggles $T_{u_{i}}$ where $\left(u_{1},u_{2},...,u_{k}\right)$ is any list of the elements of $\widehat{P}_{i}$ with every element of $\widehat{P}_{i}$ appearing exactly once in the list. These toggles are involutions and commute (the latter because any two distinct elements of $\widehat{P}_{i}$ are incomparable, having the same degree in $P$). Since a composition of commuting involutions is always an involution, this shows that $R_{i}$ is an involution, qed. ∎ Similarly to Proposition 2.16, we have: ###### Proposition 3.10. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $i\in\left\\{1,2,...,n\right\\}$. Let $\mathbb{K}$ be a field. Let $v\in\widehat{P}$. Let $f\in\mathbb{K}^{\widehat{P}}$. (a) If $\deg v\neq i$, then $\left(R_{i}f\right)\left(v\right)=f\left(v\right)$. (b) If $\deg v=i$, then $\left(R_{i}f\right)\left(v\right)=\dfrac{1}{f\left(v\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\lessdot v\end{subarray}}f\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{f\left(u\right)}}.$ (9) ###### . The proof of this proposition is very similar to that of Proposition 2.16 and therefore left to the reader. ∎ Notice that using the proof of Proposition 3.10, it is easy to give an alternative proof of Corollary 3.6 (in the same way as we saw that an alternative proof of Corollary 2.12 could be given using the proofs of Propositions 2.16, 2.17 and 2.19). ## 4 w-tuples This section continues the study of birational rowmotion on graded posets by introducing a “fingerprint” or “checksum” of a $\mathbb{K}$-labelling called the w-tuple, defined by summing ratios of elements between successive degrees (i.e., rows in the Hasse diagram). This w-tuple serves to extract some information from a $\mathbb{K}$-labelling; we will later see how to make the “rest” of the labelling more manageable. ###### Definition 4.1. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Let $f\in\mathbb{K}^{\widehat{P}}$. Let $i\in\left\\{0,1,...,n\right\\}$. Then, $\mathbf{w}_{i}\left(f\right)$ will denote the element of $\mathbb{K}$ defined by $\mathbf{w}_{i}\left(f\right)=\sum_{\begin{subarray}{c}x\in\widehat{P}_{i};\ y\in\widehat{P}_{i+1};\\\ y\gtrdot x\end{subarray}}\dfrac{f\left(x\right)}{f\left(y\right)}.$ (This element is not always defined, but is defined in the “generic” case when $0\notin f\left(\widehat{P}\right)$.) Intuitively, one could think of $\mathbf{w}_{i}\left(f\right)$ as a kind of “checksum” for the labelling $f$ which displays how much its labels at degree $i+1$ differ from those at degree $i$. Of course, in general, the knowledge of $\mathbf{w}_{i}\left(f\right)$ for all $i\in\left\\{0,1,...,n\right\\}$ is far from sufficient to reconstruct the whole labelling $f$; however, in Definition 6.2, we will introduce the so-called homogenization of $f$, which will provide “complementary data” to these $\mathbf{w}_{i}\left(f\right)$. As for now, let us show that the $\mathbf{w}_{i}\left(f\right)$ behave in a rather simple way under the maps $R$ and $R_{j}$. ###### Definition 4.2. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Let $f\in\mathbb{K}^{\widehat{P}}$. The $\left(n+1\right)$-tuple $\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right)$ will be called the w-tuple of the $\mathbb{K}$-labelling $f$. It is easy to see: ###### Proposition 4.3. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Let $i\in\left\\{1,2,...,n\right\\}$. Then, every $f\in\mathbb{K}^{\widehat{P}}$ satisfies $\displaystyle\left(\mathbf{w}_{0}\left(R_{i}f\right),\mathbf{w}_{1}\left(R_{i}f\right),...,\mathbf{w}_{n}\left(R_{i}f\right)\right)$ $\displaystyle=\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{i-2}\left(f\right),\mathbf{w}_{i}\left(f\right),\mathbf{w}_{i-1}\left(f\right),\mathbf{w}_{i+1}\left(f\right),\mathbf{w}_{i+2}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right).$ In other words, the map $R_{i}$ changes the w-tuple of a $\mathbb{K}$-labelling by interchanging its $\left(i-1\right)$-st entry with its $i$-th entry (where the entries are labelled starting at $0$). ###### Proof of Proposition 4.3 (sketched).. Let $f\in\mathbb{K}^{\widehat{P}}$. We need to show that every $j\in\left\\{0,1,...,n\right\\}$ satisfies $\mathbf{w}_{j}\left(R_{i}f\right)=\mathbf{w}_{\tau_{i}\left(j\right)}\left(f\right),$ (10) where $\tau_{i}$ is the permutation of the set $\left\\{0,1,...,n\right\\}$ which transposes $i-1$ with $i$ (while leaving all other elements of this set invariant). Proof of (10): Let $j\in\left\\{0,1,...,n\right\\}$. We distinguish between three cases: Case 1: We have $j=i$. Case 2: We have $j=i-1$. Case 3: We have $j\notin\left\\{i-1,i\right\\}$. Let us first consider Case 1. In this case, we have $j=i$. By the definition of $\mathbf{w}_{i}\left(R_{i}f\right)$, we have $\displaystyle\mathbf{w}_{i}\left(R_{i}f\right)$ $\displaystyle=\sum_{\begin{subarray}{c}x\in\widehat{P}_{i};\ y\in\widehat{P}_{i+1};\\\ y\gtrdot x\end{subarray}}\dfrac{\left(R_{i}f\right)\left(x\right)}{\left(R_{i}f\right)\left(y\right)}=\sum\limits_{x\in\widehat{P}_{i}}\left(R_{i}f\right)\left(x\right)\sum\limits_{\begin{subarray}{c}y\in\widehat{P}_{i+1};\\\ y\gtrdot x\end{subarray}}\left(\underbrace{\left(R_{i}f\right)\left(y\right)}_{\begin{subarray}{c}=f\left(y\right)\\\ \text{(by Proposition \ref{prop.Ri.implicit} {(a)})}\end{subarray}}\right)^{-1}$ $\displaystyle=\sum\limits_{x\in\widehat{P}_{i}}\left(R_{i}f\right)\left(x\right)\sum\limits_{\begin{subarray}{c}y\in\widehat{P}_{i+1};\\\ y\gtrdot x\end{subarray}}\left(f\left(y\right)\right)^{-1}.$ (11) But every $x\in\widehat{P}_{i}$ satisfies $\displaystyle\left(R_{i}f\right)\left(x\right)$ $\displaystyle=\dfrac{1}{f\left(x\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\lessdot x\end{subarray}}f\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\gtrdot x\end{subarray}}\dfrac{1}{f\left(u\right)}}\ \ \ \ \ \ \ \ \ \ \left(\text{by Proposition \ref{prop.Ri.implicit} {(b)}}\right)$ $\displaystyle=\dfrac{1}{f\left(x\right)}\cdot\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\lessdot x\end{subarray}}f\left(u\right)\cdot\left(\sum\limits_{\begin{subarray}{c}u\in\widehat{P};\\\ u\gtrdot x\end{subarray}}\left(f\left(u\right)\right)^{-1}\right)^{-1}=\dfrac{1}{f\left(x\right)}\cdot\sum\limits_{\begin{subarray}{c}y\in\widehat{P};\\\ y\lessdot x\end{subarray}}f\left(y\right)\cdot\left(\sum\limits_{\begin{subarray}{c}y\in\widehat{P};\\\ y\gtrdot x\end{subarray}}\left(f\left(y\right)\right)^{-1}\right)^{-1}$ $\displaystyle=\dfrac{1}{f\left(x\right)}\cdot\sum\limits_{\begin{subarray}{c}y\in\widehat{P}_{i-1};\\\ y\lessdot x\end{subarray}}f\left(y\right)\cdot\left(\sum\limits_{\begin{subarray}{c}y\in\widehat{P}_{i+1};\\\ y\gtrdot x\end{subarray}}\left(f\left(y\right)\right)^{-1}\right)^{-1}$ (here, we replaced $y\in\widehat{P}$ by $y\in\widehat{P}_{i-1}$ in the first sum (because every $y\in\widehat{P}$ satisfying $y\lessdot x$ must belong to $\widehat{P}_{i-1}$ 161616since $x\in\widehat{P}_{i}$) and we replaced $y\in\widehat{P}$ by $y\in\widehat{P}_{i+1}$ in the second sum (for similar reasons)) and thus $\left(R_{i}f\right)\left(x\right)\sum\limits_{\begin{subarray}{c}y\in\widehat{P}_{i+1};\\\ y\gtrdot x\end{subarray}}\left(f\left(y\right)\right)^{-1}=\dfrac{1}{f\left(x\right)}\cdot\sum\limits_{\begin{subarray}{c}y\in\widehat{P}_{i-1};\\\ y\lessdot x\end{subarray}}f\left(y\right)=\sum\limits_{\begin{subarray}{c}y\in\widehat{P}_{i-1};\\\ y\lessdot x\end{subarray}}\dfrac{f\left(y\right)}{f\left(x\right)}.$ Hence, (11) becomes $\displaystyle\mathbf{w}_{i}\left(R_{i}f\right)$ $\displaystyle=\sum\limits_{x\in\widehat{P}_{i}}\underbrace{\left(R_{i}f\right)\left(x\right)\sum\limits_{\begin{subarray}{c}y\in\widehat{P}_{i+1};\\\ y\gtrdot x\end{subarray}}\left(f\left(y\right)\right)^{-1}}_{=\sum\limits_{\begin{subarray}{c}y\in\widehat{P}_{i-1};\\\ y\lessdot x\end{subarray}}\dfrac{f\left(y\right)}{f\left(x\right)}}=\sum\limits_{x\in\widehat{P}_{i}}\sum\limits_{\begin{subarray}{c}y\in\widehat{P}_{i-1};\\\ y\lessdot x\end{subarray}}\dfrac{f\left(y\right)}{f\left(x\right)}=\sum\limits_{\begin{subarray}{c}y\in\widehat{P}_{i-1};\ x\in\widehat{P}_{i};\\\ x\gtrdot y\end{subarray}}\dfrac{f\left(y\right)}{f\left(x\right)}$ $\displaystyle=\sum\limits_{\begin{subarray}{c}x\in\widehat{P}_{i-1};\ y\in\widehat{P}_{i}\\\ y\gtrdot x\end{subarray}}\dfrac{f\left(x\right)}{f\left(y\right)}\ \ \ \ \ \ \ \ \ \ \left(\text{here, we switched the indices in the sum}\right)$ $\displaystyle=\mathbf{w}_{i-1}\left(f\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by the definition of }\mathbf{w}_{i-1}\left(f\right)\right)$ (12) $\displaystyle=\mathbf{w}_{\tau_{i}\left(i\right)}\left(f\right).$ In other words, (10) holds for $j=i$. Thus, (10) is proven in Case 1. Let us now consider Case 2. In this case, $j=i-1$. Now, it can be shown that $\mathbf{w}_{i-1}\left(R_{i}f\right)=\mathbf{w}_{i}\left(f\right)$. This can be proven either in a similar way to how we proved $\mathbf{w}_{i}\left(R_{i}f\right)=\mathbf{w}_{i-1}\left(f\right)$ (the details of this are left to the reader), or by noticing that $\displaystyle\mathbf{w}_{i}\left(f\right)$ $\displaystyle=\mathbf{w}_{i}\left(R_{i}^{2}f\right)\ \ \ \ \ \ \ \ \ \ \left(\begin{array}[c]{c}\text{since Proposition \ref{prop.Ri.invo} yields that }R_{i}^{2}=\operatorname*{id}\text{,}\\\ \text{hence }\mathbf{w}_{i}\left(R_{i}^{2}f\right)=\mathbf{w}_{i}\left(\operatorname*{id}f\right)=\mathbf{w}_{i}\left(f\right)\end{array}\right)$ $\displaystyle=\mathbf{w}_{i}\left(R_{i}\left(R_{i}f\right)\right)=\mathbf{w}_{i-1}\left(R_{i}f\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by (\ref{pf.wi.Ri.short.main}), applied to }R_{i}f\text{ instead of }f\right).$ Either way, we end up knowing that $\mathbf{w}_{i-1}\left(R_{i}f\right)=\mathbf{w}_{i}\left(f\right)$. Thus, $\mathbf{w}_{i-1}\left(R_{i}f\right)=\mathbf{w}_{i}\left(f\right)=\mathbf{w}_{\tau_{i}\left(i-1\right)}\left(f\right)$. In other words, (10) holds for $j=i-1$. Thus, (10) is proven in Case 2. Let us finally consider Case 3. In this case, $j\notin\left\\{i-1,i\right\\}$. Hence, $\tau_{i}\left(j\right)=j$. On the other hand, by the definition of $\mathbf{w}_{j}\left(R_{i}f\right)$, we have $\displaystyle\mathbf{w}_{j}\left(R_{i}f\right)$ $\displaystyle=\sum_{\begin{subarray}{c}x\in\widehat{P}_{j};\ y\in\widehat{P}_{j+1};\\\ y\gtrdot x\end{subarray}}\dfrac{\left(R_{i}f\right)\left(x\right)}{\left(R_{i}f\right)\left(y\right)}=\sum_{\begin{subarray}{c}x\in\widehat{P}_{j};\ y\in\widehat{P}_{j+1};\\\ y\gtrdot x\end{subarray}}\left(\underbrace{\left(R_{i}f\right)\left(y\right)}_{\begin{subarray}{c}=f\left(y\right)\\\ \text{(by Proposition \ref{prop.Ri.implicit} {(a)})}\end{subarray}}\right)^{-1}\cdot\underbrace{\left(R_{i}f\right)\left(x\right)}_{\begin{subarray}{c}=f\left(x\right)\\\ \text{(by Proposition \ref{prop.Ri.implicit} {(a)})}\end{subarray}}$ $\displaystyle=\sum_{\begin{subarray}{c}x\in\widehat{P}_{j};\ y\in\widehat{P}_{j+1};\\\ y\gtrdot x\end{subarray}}\left(f\left(y\right)\right)^{-1}\cdot f\left(x\right)=\sum_{\begin{subarray}{c}x\in\widehat{P}_{j};\ y\in\widehat{P}_{j+1};\\\ y\gtrdot x\end{subarray}}\dfrac{f\left(x\right)}{f\left(y\right)}.$ Compared with $\mathbf{w}_{j}\left(f\right)=\sum\limits_{\begin{subarray}{c}x\in\widehat{P}_{j};\ y\in\widehat{P}_{j+1};\\\ y\gtrdot x\end{subarray}}\dfrac{f\left(x\right)}{f\left(y\right)}$ (by the definition of $\mathbf{w}_{j}\left(f\right)$), this yields $\mathbf{w}_{j}\left(R_{i}f\right)=\mathbf{w}_{j}\left(f\right)$. Since $j=\tau_{i}\left(j\right)$, this becomes $\mathbf{w}_{j}\left(R_{i}f\right)=\mathbf{w}_{\tau_{i}\left(j\right)}\left(f\right)$. Hence, (10) is proven in Case 3. We have thus proven (10) in each of the three possible cases 1, 2 and 3. This completes the proof of (10) and thus of Proposition 4.3. ∎ From Proposition 4.3, and (8), we conclude: ###### Proposition 4.4. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Then, every $f\in\mathbb{K}^{\widehat{P}}$ satisfies $\left(\mathbf{w}_{0}\left(Rf\right),\mathbf{w}_{1}\left(Rf\right),...,\mathbf{w}_{n}\left(Rf\right)\right)=\left(\mathbf{w}_{n}\left(f\right),\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n-1}\left(f\right)\right).$ In other words, the map $R$ changes the w-tuple of a $\mathbb{K}$-labelling by shifting it cyclically. ###### Proof of Proposition 4.4 (sketched).. Proposition 3.8 yields $R=R_{1}\circ R_{2}\circ...\circ R_{n}$. But for every $i\in\left\\{1,2,...,n\right\\}$, recall from Proposition 4.3 that the map $R_{i}$ changes the w-tuple of a $\mathbb{K}$-labelling by interchanging its $\left(i-1\right)$-st entry with its $i$-th entry (where the entries are labelled starting at $0$). Hence, the effect of the compound map $R=R_{1}\circ R_{2}\circ...\circ R_{n}$ on the w-tuple is that of first interchanging the $\left(n-1\right)$-st entry with the $n$-th entry, then interchanging the $\left(n-2\right)$-st entry with the $\left(n-1\right)$-st entry, and so on, through to finally interchanging the $0$-th entry with the $1$-st entry. But this latter sequence of interchanges is equivalent to a cyclic shift of the w-tuple171717Indeed, the composition $\left(0,1\right)\circ\left(1,2\right)\circ...\circ\left(n-1,n\right)$ of transpositions in the symmetric group on the set $\left\\{0,1,...,n\right\\}$ is the $\left(n+1\right)$-cycle $\left(0,1,...,n\right)$.. Hence, the map $R$ changes the w-tuple of a $\mathbb{K}$-labelling by shifting it cyclically, qed. ∎ As a consequence of Proposition 4.4, the map $R^{n+1}$ (for an $n$-graded poset $P$) leaves the w-tuple of a $\mathbb{K}$-labelling fixed. ## 5 Graded rescaling of labellings In general, birational rowmotion $R$ has something that one might call an “avalanche effect”: If $f$ and $g$ are two $\mathbb{K}$-labellings of a poset $P$ which differ from each other only in their labels at one single element $v$, then the labellings $Rf$ and $Rg$ (in general) differ at all elements covering $v$ and all elements beneath $v$, and further applications of $R$ make the labellings even more different. Thus, a change of just one label in a labelling will often “spread” through a large part of the poset when $R$ is repeatedly applied; the effect of such a change is hard to track in general. Thus, knowing the behavior of one particular $\mathbb{K}$-labelling $f$ under $R$ does not help us at understanding the behaviors of $\mathbb{K}$-labellings obtained from $f$ by changing labels at particular elements. However, if $P$ is a graded poset and we simultaneously multiply the labels at all elements of a given degree in a given labelling of $P$ with a given scalar, then the changes this causes to the behavior of the labelling under $R$ are rather predictable. We are going to formalize this observation in this section, proving some explicit formulas for how birational rowmotion $R$ and its iterates react to such rescalings. These explicit formulas will be subsumed into slick conclusions in Section 6, where we will introduce a notion of _homogeneous equivalence_ which formalizes the idea of a “labelling modulo scalar factors at each degree”. ###### Definition 5.1. Let $\mathbb{K}$ be a field. Then, $\mathbb{K}^{\times}$ denotes the multiplicative group of nonzero elements of $\mathbb{K}$. The following definition formalizes the idea of multiplying the labels at all elements of a certain degree with one and the same scalar factor: ###### Definition 5.2. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. For every $\mathbb{K}$-labelling $f\in\mathbb{K}^{\widehat{P}}$ and any $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$, we define a $\mathbb{K}$-labelling $\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\in\mathbb{K}^{\widehat{P}}$ by $\left(\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\right)\left(v\right)=a_{\deg v}\cdot f\left(v\right)\ \ \ \ \ \ \ \ \ \ \text{for every }v\in\widehat{P}.$ Straightforward application of this definition and that of $R_{i}$ shows: ###### Proposition 5.3. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Let us use the notation introduced in Definition 5.2. Let $f\in\mathbb{K}^{\widehat{P}}$ be a $\mathbb{K}$-labelling. Let $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$. Let $i\in\left\\{1,2,...,n\right\\}$. Then, $\displaystyle R_{i}\left(\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\right)$ $\displaystyle=\left(a_{0},a_{1},...,a_{i-1},\dfrac{a_{i+1}a_{i-1}}{a_{i}},a_{i+1},a_{i+2},...,a_{n+1}\right)\flat\left(R_{i}f\right)$ (provided that $R_{i}f$ is well-defined). A similar result can be obtained for $R$ instead of $R_{i}$: ###### Proposition 5.4. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. For every $\mathbb{K}$-labelling $f\in\mathbb{K}^{\widehat{P}}$ and any $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$, we define a $\mathbb{K}$-labelling $\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\in\mathbb{K}^{\widehat{P}}$ as in Definition 5.2. Let $f\in\mathbb{K}^{\widehat{P}}$ be a $\mathbb{K}$-labelling. Let $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$. Then, $R\left(\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\right)=\left(a_{0},ga_{0},ga_{1},...,ga_{n-1},a_{n+1}\right)\flat\left(Rf\right),$ where $g=\dfrac{a_{n+1}}{a_{n}}$ (provided that $Rf$ is well-defined). ###### Proof of Proposition 5.4 (sketched).. Let $g=\dfrac{a_{n+1}}{a_{n}}$. We claim that every $j\in\left\\{1,2,...,n+1\right\\}$ satisfies $\displaystyle\left(R_{j}\circ R_{j+1}\circ...\circ R_{n}\right)\left(\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\right)$ $\displaystyle=\left(a_{0},a_{1},a_{2},...,a_{j-1},ga_{j-1},ga_{j},...,ga_{n-1},a_{n+1}\right)\flat\left(\left(R_{j}\circ R_{j+1}\circ...\circ R_{n}\right)f\right).$ (13) Indeed, (13) is easily verified by reverse induction over $j$ (that is, induction over $n+1-j$), using Proposition 5.3 in the step. Now, applying (13) to $j=1$ and recalling that $R=R_{1}\circ R_{2}\circ...\circ R_{n}$, we obtain the claim of Proposition 5.4. ∎ We can go further and generalize Proposition 5.4 to iterated birational rowmotion: ###### Proposition 5.5. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. For every $\mathbb{K}$-labelling $f\in\mathbb{K}^{\widehat{P}}$ and any $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$, we define a $\mathbb{K}$-labelling $\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\in\mathbb{K}^{\widehat{P}}$ as in Definition 5.2. Let $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$. For every $\ell\in\left\\{0,1,...,n+1\right\\}$ and $k\in\left\\{0,1,...,n+1\right\\}$, define an element $\widehat{a}_{k}^{\left(\ell\right)}\in\mathbb{K}^{\times}$ by $\widehat{a}_{k}^{\left(\ell\right)}=\left\\{\begin{array}[c]{c}\dfrac{a_{n+1}a_{k-\ell}}{a_{n+1-\ell}},\ \ \ \ \ \ \ \ \ \ \text{if }k\geqslant\ell;\\\ \dfrac{a_{n+1+k-\ell}a_{0}}{a_{n+1-\ell}},\ \ \ \ \ \ \ \ \ \ \text{if }k<\ell\end{array}\right..$ Let $f\in\mathbb{K}^{\widehat{P}}$ be a $\mathbb{K}$-labelling. Then, every $\ell\in\left\\{0,1,...,n+1\right\\}$ satisfies $R^{\ell}\left(\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\right)=\left(\widehat{a}_{0}^{\left(\ell\right)},\widehat{a}_{1}^{\left(\ell\right)},...,\widehat{a}_{n+1}^{\left(\ell\right)}\right)\flat\left(R^{\ell}f\right)$ (provided that $R^{\ell}f$ is well-defined). ###### Example 5.6. For this example, let $n=3$, and let $P$ be a $3$-graded poset. Then, $\displaystyle\left(\widehat{a}_{0}^{\left(0\right)},\widehat{a}_{1}^{\left(0\right)},\widehat{a}_{2}^{\left(0\right)},\widehat{a}_{3}^{\left(0\right)},\widehat{a}_{4}^{\left(0\right)}\right)$ $\displaystyle=\left(a_{0},a_{1},a_{2},a_{3},a_{4}\right);$ $\displaystyle\left(\widehat{a}_{0}^{\left(1\right)},\widehat{a}_{1}^{\left(1\right)},\widehat{a}_{2}^{\left(1\right)},\widehat{a}_{3}^{\left(1\right)},\widehat{a}_{4}^{\left(1\right)}\right)$ $\displaystyle=\left(a_{0},\dfrac{a_{4}a_{0}}{a_{3}},\dfrac{a_{4}a_{1}}{a_{3}},\dfrac{a_{4}a_{2}}{a_{3}},a_{4}\right);$ $\displaystyle\left(\widehat{a}_{0}^{\left(2\right)},\widehat{a}_{1}^{\left(2\right)},\widehat{a}_{2}^{\left(2\right)},\widehat{a}_{3}^{\left(2\right)},\widehat{a}_{4}^{\left(2\right)}\right)$ $\displaystyle=\left(a_{0},\dfrac{a_{3}a_{0}}{a_{2}},\dfrac{a_{4}a_{0}}{a_{2}},\dfrac{a_{4}a_{1}}{a_{2}},a_{4}\right);$ $\displaystyle\left(\widehat{a}_{0}^{\left(3\right)},\widehat{a}_{1}^{\left(3\right)},\widehat{a}_{2}^{\left(3\right)},\widehat{a}_{3}^{\left(3\right)},\widehat{a}_{4}^{\left(3\right)}\right)$ $\displaystyle=\left(a_{0},\dfrac{a_{2}a_{0}}{a_{1}},\dfrac{a_{3}a_{0}}{a_{1}},\dfrac{a_{4}a_{0}}{a_{1}},a_{4}\right);$ $\displaystyle\left(\widehat{a}_{0}^{\left(4\right)},\widehat{a}_{1}^{\left(4\right)},\widehat{a}_{2}^{\left(4\right)},\widehat{a}_{3}^{\left(4\right)},\widehat{a}_{4}^{\left(4\right)}\right)$ $\displaystyle=\left(a_{0},a_{1},a_{2},a_{3},a_{4}\right).$ More generally, we always have $\left(\widehat{a}_{0}^{\left(0\right)},\widehat{a}_{1}^{\left(0\right)},...,\widehat{a}_{n+1}^{\left(0\right)}\right)=\left(a_{0},a_{1},...,a_{n+1}\right)$ and $\left(\widehat{a}_{0}^{\left(n+1\right)},\widehat{a}_{1}^{\left(n+1\right)},...,\widehat{a}_{n+1}^{\left(n+1\right)}\right)=\left(a_{0},a_{1},...,a_{n+1}\right)$ (as can be verified directly). ###### Proof of Proposition 5.5 (sketched).. This proof is a completely straightforward induction over $\ell$, with the base case being trivial and the induction step relying on Proposition 5.4. It is useful to notice that every $\ell\in\left\\{0,1,...,n+1\right\\}$ and $k\in\left\\{0,1,...,n+1\right\\}$ satisfy $\widehat{a}_{k}^{\left(\ell\right)}=\dfrac{a_{n+1+k-\ell}a_{0}}{a_{n+1-\ell}}\ \ \ \ \ \ \ \ \ \ \text{if }k\leqslant\ell$ to simplify the computations (this identity follows from the definition when $k<\ell$ and can be easily checked for $k=\ell$). ∎ As a consequence of Proposition 5.5, we notice a very simple behavior of rescaled labellings under $R^{n+1}$ for an $n$-graded poset $P$: ###### Corollary 5.7. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. For every $\mathbb{K}$-labelling $f\in\mathbb{K}^{\widehat{P}}$ and any $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$, we define a $\mathbb{K}$-labelling $\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\in\mathbb{K}^{\widehat{P}}$ as in Definition 5.2. Let $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$. Let $f\in\mathbb{K}^{\widehat{P}}$ be a $\mathbb{K}$-labelling. Then, $R^{n+1}\left(\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\right)=\left(a_{0},a_{1},...,a_{n+1}\right)\flat\left(R^{n+1}f\right)$ (provided that $R^{n+1}f$ is well-defined). ###### . We leave deriving Corollary 5.7 from Proposition 5.5 to the reader. ∎ Let us furthermore record how the rescaling of labels according to their degree affects their w-tuples (as defined in Definition 4.1): ###### Proposition 5.8. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. For every $\mathbb{K}$-labelling $f\in\mathbb{K}^{\widehat{P}}$ and any $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$, we define a $\mathbb{K}$-labelling $\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\in\mathbb{K}^{\widehat{P}}$ as in Definition 5.2. Let $f\in\mathbb{K}^{\widehat{P}}$ be a $\mathbb{K}$-labelling of $P$. Let $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$. Then, the w-tuple of the $\mathbb{K}$-labelling $\left(a_{0},a_{1},...,a_{n+1}\right)\flat f$ is $\left(\dfrac{a_{0}}{a_{1}}\mathbf{w}_{0}\left(f\right),\dfrac{a_{1}}{a_{2}}\mathbf{w}_{1}\left(f\right),...,\dfrac{a_{n}}{a_{n+1}}\mathbf{w}_{n}\left(f\right)\right).$ ###### . Proposition 5.8 follows by computation using just the definitions of the notions involved. ∎ ## 6 Homogeneous labellings In the previous section, we have quantified how the rescaling of all labels at a given degree affects a labelling (of a graded poset) under birational rowmotion. In this section, we will introduce a notion of “homogeneous labellings” which (roughly speaking) are “labellings up to rescaling at a given degree” in the same way as a point in a projective space can be regarded as (roughly speaking) “a point in the affine space up to rescaling the coordinates”. To be precise, we will need to restrict ourselves to considering only “zero-free” labellings (a Zariski-dense open subset of all labellings) for the same reason as we need to exclude $0$ when defining a projective space. Once done with the definitions, we will see that birational rowmotion (and the maps $R_{i}$) can be defined on homogeneous labellings (it is here that we will make use of the results of the previous section). Let us begin with the definitions: ###### Definition 6.1. Let $\mathbb{K}$ be a field. (a) For every $\mathbb{K}$-vector space $V$, let $\mathbb{P}\left(V\right)$ denote the projective space of $V$ (that is, the set of equivalence classes of vectors in $V\setminus\left\\{0\right\\}$ modulo proportionality). (b) For every $n\in\mathbb{N}$, we let $\mathbb{P}^{n}\left(\mathbb{K}\right)$ denote the projective space $\mathbb{P}\left(\mathbb{K}^{n+1}\right)$. ###### Definition 6.2. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. (a) Denote by $\overline{\mathbb{K}^{\widehat{P}}}$ the product $\prod\limits_{i=1}^{n}\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)$ of projective spaces. Notice that the product is just a Cartesian product of algebraic varieties, and a reader unfamiliar with algebraic geometry can just regard it as a Cartesian product of sets.181818The structure of algebraic variety will only be needed to define the Zariski topology on $\overline{\mathbb{K}^{\widehat{P}}}$, which is more or less obvious already (e.g., when we say that something holds “for almost every element $x$ of $\prod\limits_{i=1}^{n}\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)$”, we could equivalently say that it holds “for $x=\operatorname*{proj}\left(X\right)$ for almost every element $X$ of $\prod\limits_{i=1}^{n}\left(\mathbb{K}^{\widehat{P}_{i}}\setminus\left\\{0\right\\}\right)$”, where $\operatorname*{proj}$ is the canonical map $\prod\limits_{i=1}^{n}\left(\mathbb{K}^{\widehat{P}_{i}}\setminus\left\\{0\right\\}\right)\rightarrow\prod\limits_{i=1}^{n}\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)$ defined as the product of the projections $\mathbb{K}^{\widehat{P}_{i}}\setminus\left\\{0\right\\}\rightarrow\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)$). We have $\overline{\mathbb{K}^{\widehat{P}}}=\prod\limits_{i=1}^{n}\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)\cong\prod\limits_{i=1}^{n}\mathbb{P}^{\left|\widehat{P}_{i}\right|-1}\left(\mathbb{K}\right)$ (since every $i\in\left\\{1,2,...,n\right\\}$ satisfies $\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)\cong\mathbb{P}^{\left|\widehat{P}_{i}\right|-1}\left(\mathbb{K}\right)$). We denote the elements of $\overline{\mathbb{K}^{\widehat{P}}}$ as homogeneous labellings. Notice that $\overline{\mathbb{K}^{\widehat{P}}}=\prod\limits_{i=1}^{n}\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)\cong\prod\limits_{i=0}^{n+1}\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)$ (as algebraic varieties). This is because $\mathbb{K}^{\widehat{P}_{0}}$ and $\mathbb{K}^{\widehat{P}_{n+1}}$ are $1$-dimensional vector spaces (since $\left|\widehat{P}_{0}\right|=1$ and $\left|\widehat{P}_{n+1}\right|=1$), and thus the projective spaces $\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{0}}\right)$ and $\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{n+1}}\right)$ each consist of a single point. (b) A $\mathbb{K}$-labelling $f\in\mathbb{K}^{\widehat{P}}$ is said to be zero-free if for every $i\in\left\\{0,1,...,n+1\right\\}$, there exists some $v\in\widehat{P}_{i}$ satisfying $f\left(v\right)\neq 0$. (In other words, a $\mathbb{K}$-labelling $f\in\mathbb{K}^{\widehat{P}}$ is said to be zero-free if there exists no $i\in\left\\{0,1,...,n+1\right\\}$ such that $f$ is identically $0$ on all elements of $\widehat{P}$ having degree $i$.) Let $\mathbb{K}_{\neq 0}^{\widehat{P}}$ be the set of all zero-free $\mathbb{K}$-labellings. Clearly, this set $\mathbb{K}_{\neq 0}^{\widehat{P}}$ is a Zariski-dense open subset of $\mathbb{K}^{\widehat{P}}$. (c) Identify the set $\mathbb{K}^{\widehat{P}}$ with $\prod\limits_{i=0}^{n+1}\mathbb{K}^{\widehat{P}_{i}}$ in the obvious way (since $\widehat{P}$, regarded as a set, is the disjoint union of the sets $\widehat{P}_{i}$ over all $i\in\left\\{0,1,...,n+1\right\\}$). Using the identifications $\mathbb{K}^{\widehat{P}}\cong\prod\limits_{i=0}^{n+1}\mathbb{K}^{\widehat{P}_{i}}$ and $\overline{\mathbb{K}^{\widehat{P}}}\cong\prod\limits_{i=0}^{n+1}\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)$, we now define a rational map $\pi:\mathbb{K}^{\widehat{P}}\dashrightarrow\overline{\mathbb{K}^{\widehat{P}}}$ as the product of the canonical projections $\mathbb{K}^{\widehat{P}_{i}}\dashrightarrow\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)$ (which are defined everywhere outside of the $\left\\{0\right\\}$ subsets) over all $i\in\left\\{0,1,...,n+1\right\\}$. Notice that the domain of definition of this rational map $\pi$ is precisely $\mathbb{K}_{\neq 0}^{\widehat{P}}$. For every $f\in\mathbb{K}^{\widehat{P}}$, we denote $\pi\left(f\right)$ as the homogenization of the $\mathbb{K}$-labelling $f$. (d) Two zero-free $\mathbb{K}$-labellings $f\in\mathbb{K}^{\widehat{P}}$ and $g\in\mathbb{K}^{\widehat{P}}$ are said to be homogeneously equivalent if and only if they satisfy one of the following equivalent conditions: Condition 1: For every $i\in\left\\{0,1,...,n+1\right\\}$ and any two elements $x$ and $y$ of $\widehat{P}_{i}$, we have $\dfrac{f\left(x\right)}{f\left(y\right)}=\dfrac{g\left(x\right)}{g\left(y\right)}$. Condition 2: There exists an $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$ such that every $x\in\widehat{P}$ satisfies $g\left(x\right)=a_{\deg x}\cdot f\left(x\right)$. Condition 3: We have $\pi\left(f\right)=\pi\left(g\right)$. (The equivalence between these three conditions is very easy to check. We will never actually use Condition 1.) ###### Remark 6.3. Clearly, homogeneous equivalence is an equivalence relation on the set $\mathbb{K}_{\neq 0}^{\widehat{P}}$ of all zero-free $\mathbb{K}$-labellings. We can identify $\overline{\mathbb{K}^{\widehat{P}}}$ with the quotient of the set $\mathbb{K}_{\neq 0}^{\widehat{P}}$ modulo this relation. Then, $\pi$ becomes the canonical projection map $\mathbb{K}^{\widehat{P}}\dashrightarrow\overline{\mathbb{K}^{\widehat{P}}}$. One remark about the notion “zero-free”: Being zero-free is a very weak condition on a $\mathbb{K}$-labelling (indeed the zero-free $\mathbb{K}$-labellings form a Zariski-dense open subset of the space of all $\mathbb{K}$-labellings), and the $\mathbb{K}$-labellings which don’t satisfy this condition are rather useless for us (if $f$ is a $\mathbb{K}$-labelling which is not zero-free, then $R^{2}f$ is not well-defined, and usually not even $Rf$ is well-defined). We are almost never giving up any generality if we require a labelling to be zero-free. ###### Remark 6.4. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. For every $\mathbb{K}$-labelling $f\in\mathbb{K}^{\widehat{P}}$ and any $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$, we define a $\mathbb{K}$-labelling $\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\in\mathbb{K}^{\widehat{P}}$ as in Definition 5.2. Let $f\in\mathbb{K}^{\widehat{P}}$ be a zero-free $\mathbb{K}$-labelling of $P$. Let $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$. Then, the $\mathbb{K}$-labelling $\left(a_{0},a_{1},...,a_{n+1}\right)\flat f$ is also zero-free. (This follows immediately from the definitions.) ###### Definition 6.5. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. For every zero-free $f\in\mathbb{K}^{\widehat{P}}$ and every $i\in\left\\{1,2,...,n\right\\}$, the image of the restriction of $f:\widehat{P}\to\mathbb{K}$ to $\widehat{P}_{i}$ under the canonical projection $\mathbb{K}^{\widehat{P}_{i}}\dashrightarrow\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)$ will be denoted by $\pi_{i}\left(f\right)$. This image $\pi_{i}\left(f\right)$ encodes the values of $f$ at the elements of $\widehat{P}$ of degree $i$ up to multiplying all these values by a common nonzero scalar. Notice that $\pi\left(f\right)=\left(\pi_{1}\left(f\right),\pi_{2}\left(f\right),...,\pi_{n}\left(f\right)\right)$ (14) for every $f\in\mathbb{K}^{\widehat{P}}$. (Here, the right hand side of (14) is regarded as an element of $\overline{\mathbb{K}^{\widehat{P}}}$ because it belongs to $\prod\limits_{i=1}^{n}\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)=\overline{\mathbb{K}^{\widehat{P}}}$.) We are next going to see: ###### Corollary 6.6. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Let $i\in\left\\{1,2,...,n\right\\}$. If $f\in\mathbb{K}^{\widehat{P}}$ and $g\in\mathbb{K}^{\widehat{P}}$ are two homogeneously equivalent zero-free $\mathbb{K}$-labellings, then $R_{i}f$ is homogeneously equivalent to $R_{i}g$ (as long as $R_{i}f$ and $R_{i}g$ are zero-free). ###### Corollary 6.7. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. If $f\in\mathbb{K}^{\widehat{P}}$ and $g\in\mathbb{K}^{\widehat{P}}$ are two homogeneously equivalent zero-free $\mathbb{K}$-labellings, then $Rf$ is homogeneously equivalent to $Rg$ (as long as $Rf$ and $Rg$ are zero-free). Notice that Corollary 6.6 would not be valid if we were to replace $R_{i}$ by a single toggle $T_{v}$! So the operators $R_{i}$ in some sense combine the nice properties of $T_{v}$ (like being an involution, cf. Proposition 3.9) with the nice properties of $R$ (like having an easily describable action on w-tuples, cf. Proposition 4.3, and respecting homogeneous equivalence, cf. Corollary 6.6). ###### Proof of Corollary 6.6 (sketched).. Let $f\in\mathbb{K}^{\widehat{P}}$ and $g\in\mathbb{K}^{\widehat{P}}$ be two homogeneously equivalent zero-free $\mathbb{K}$-labellings. We know that $f$ and $g$ are homogeneously equivalent. By Condition 2 in Definition 6.2 (d), this means that there exists an $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$ such that every $x\in\widehat{P}$ satisfies $g\left(x\right)=a_{\deg x}\cdot f\left(x\right)$. In other words, there exists an $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$ such that $g=\left(a_{0},a_{1},...,a_{n+1}\right)\flat f.$ Consider this $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)$. Since $g=\left(a_{0},a_{1},...,a_{n+1}\right)\flat f$, we have $\displaystyle R_{i}g=R_{i}\left(\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\right)$ $\displaystyle=\left(a_{0},a_{1},...,a_{i-1},\dfrac{a_{i+1}a_{i-1}}{a_{i}},a_{i+1},a_{i+2},...,a_{n+1}\right)\flat\left(R_{i}f\right)$ (by Proposition 5.3). Hence, there exists an $\left(n+2\right)$-tuple $\left(b_{0},b_{1},...,b_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$ such that $R_{i}g=\left(b_{0},b_{1},...,b_{n+1}\right)\flat\left(R_{i}f\right)$ (namely, $\left(b_{0},b_{1},...,b_{n+1}\right)=\left(a_{0},a_{1},...,a_{i-1},\dfrac{a_{i+1}a_{i-1}}{a_{i}},a_{i+1},a_{i+2},...,a_{n+1}\right)$). In other words, there exists an $\left(n+2\right)$-tuple $\left(b_{0},b_{1},...,b_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$ such that every $x\in\widehat{P}$ satisfies $\left(R_{i}g\right)\left(x\right)=b_{\deg x}\cdot\left(R_{i}f\right)\left(x\right)$. But this is precisely Condition 2 in Definition 6.2 (d), stated for the labellings $R_{i}f$ and $R_{i}g$ instead of $f$ and $g$. Hence, $R_{i}f$ and $R_{i}g$ are homogeneously equivalent. This proves Corollary 6.6. ∎ ###### Proof of Corollary 6.7 (sketched).. Let $f\in\mathbb{K}^{\widehat{P}}$ and $g\in\mathbb{K}^{\widehat{P}}$ be two homogeneously equivalent zero-free $\mathbb{K}$-labellings. By iterative application of Corollary 6.6, we then conclude that the $\mathbb{K}$-labellings $\left(R_{1}\circ R_{2}\circ...\circ R_{n}\right)f$ and $\left(R_{1}\circ R_{2}\circ...\circ R_{n}\right)g$ are homogeneously equivalent (if they are well-defined). Since $R_{1}\circ R_{2}\circ...\circ R_{n}=R$ (by Proposition 3.8), this rewrites as follows: The $\mathbb{K}$-labellings $Rf$ and $Rg$ are homogeneously equivalent. This proves Corollary 6.7. ∎ Let us introduce a general piece of notation: ###### Definition 6.8. Let $S$ and $T$ be two sets. Let $\sim_{S}$ be an equivalence relation on the set $S$, and let $\sim_{T}$ be an equivalence relation on the set $T$. Let $\overline{S}$ be the quotient of the set $S$ modulo the equivalence relation $\sim_{S}$, and let $\overline{T}$ be the quotient of the set $T$ modulo the equivalence relation $\sim_{T}$. Let $\pi_{S}:S\rightarrow\overline{S}$ and $\pi_{T}:T\rightarrow\overline{T}$ be the canonical projections of a set on its quotient. Let $f:S\rightarrow T$ be a map. If $\overline{f}:\overline{S}\rightarrow\overline{T}$ is a map for which the diagram $\textstyle{S\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{f}$$\scriptstyle{\pi}$$\textstyle{T\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\pi}$$\textstyle{\overline{S}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\overline{f}}$$\textstyle{\overline{T}}$ is commutative, then we say that “the map $f$ descends to the map $\overline{f}$”. It is easy to see that there exists at most one map $\overline{f}:\overline{S}\rightarrow\overline{T}$ such that the map $f$ descends to the map $\overline{f}$ (for given $S$, $T$, $\sim_{S}$, $\sim_{T}$ and $f$). Moreover, the existence of a map $\overline{f}:\overline{S}\rightarrow\overline{T}$ such that the map $f$ descends to the map $\overline{f}$ is equivalent to the statement that every two elements $x$ and $y$ of $S$ satisfying $x\sim_{S}y$ satisfy $f\left(x\right)\sim_{T}f\left(y\right)$. The above statements are not literally true if we replace the map $f:S\rightarrow T$ by a partial map $f:S\dashrightarrow T$. However, when $S$ and $T$ are two algebraic varieties and $\sim_{S}$ and $\sim_{T}$ are algebraic equivalences (i.e., equivalence relations defined by polynomial relations between coordinates of points) and $f:S\dashrightarrow T$ is a rational map, then the above statements still are true (of course, with $\overline{f}$ being a partial map). ###### Definition 6.9. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Let $i\in\left\\{1,2,...,n\right\\}$. Because of Corollary 6.6, the rational map $R_{i}:\mathbb{K}^{\widehat{P}}\dashrightarrow\mathbb{K}^{\widehat{P}}$ descends (through the projection $\pi:\mathbb{K}^{\widehat{P}}\dashrightarrow\overline{\mathbb{K}^{\widehat{P}}}$) to a partial map $\overline{\mathbb{K}^{\widehat{P}}}\dashrightarrow\overline{\mathbb{K}^{\widehat{P}}}$. We denote this partial map $\overline{\mathbb{K}^{\widehat{P}}}\dashrightarrow\overline{\mathbb{K}^{\widehat{P}}}$ by $\overline{R_{i}}$. Thus, the diagram $\textstyle{\mathbb{K}^{\widehat{P}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{R_{i}}$$\scriptstyle{\pi}$$\textstyle{\mathbb{K}^{\widehat{P}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\pi}$$\textstyle{\overline{\mathbb{K}^{\widehat{P}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\overline{R_{i}}}$$\textstyle{\overline{\mathbb{K}^{\widehat{P}}}}$ (15) is commutative. ###### Definition 6.10. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. We define the partial map $\overline{R}:\overline{\mathbb{K}^{\widehat{P}}}\dashrightarrow\overline{\mathbb{K}^{\widehat{P}}}$ by $\overline{R}=\overline{R_{1}}\circ\overline{R_{2}}\circ...\circ\overline{R_{n}}.$ Then, the diagram $\textstyle{\mathbb{K}^{\widehat{P}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{R}$$\scriptstyle{\pi}$$\textstyle{\mathbb{K}^{\widehat{P}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\pi}$$\textstyle{\overline{\mathbb{K}^{\widehat{P}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\overline{R}}$$\textstyle{\overline{\mathbb{K}^{\widehat{P}}}}$ (16) is commutative191919Proof. We have $R=R_{1}\circ R_{2}\circ...\circ R_{n}$ and $\overline{R}=\overline{R_{1}}\circ\overline{R_{2}}\circ...\circ\overline{R_{n}}$. Hence, the diagram (16) can be obtained by stringing together the diagrams (15) for all $i\in\left\\{1,2,...,n\right\\}$ and then removing the “interior edges”. Therefore, the diagram (16) is commutative (since the diagrams (15) are commutative for all $i$), qed.. In other words, $\overline{R}$ is the partial map $\overline{\mathbb{K}^{\widehat{P}}}\dashrightarrow\overline{\mathbb{K}^{\widehat{P}}}$ to which the partial map $R:\mathbb{K}^{\widehat{P}}\dashrightarrow\mathbb{K}^{\widehat{P}}$ descends (through the projection $\pi:\mathbb{K}^{\widehat{P}}\dashrightarrow\overline{\mathbb{K}^{\widehat{P}}}$). Next, we formulate a result which says something to the extent of “a zero-free $\mathbb{K}$-labelling $f\in\mathbb{K}^{\widehat{P}}$ is almost always uniquely determined by its w-tuple $\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right)$, its homogenization $\pi\left(f\right)$ and the value $f\left(0\right)$”. The words “almost always” are required here because otherwise the statement would be wrong; but they have to be made precise. Here is the exact statement we want to make: ###### Proposition 6.11. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Let $f$ and $g$ be two zero-free $\mathbb{K}$-labellings in $\mathbb{K}^{\widehat{P}}$ such that $\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right)=\left(\mathbf{w}_{0}\left(g\right),\mathbf{w}_{1}\left(g\right),...,\mathbf{w}_{n}\left(g\right)\right)$ and such that no $i\in\left\\{0,1,...,n\right\\}$ satisfies $\mathbf{w}_{i}\left(f\right)=0$. Also assume that $\pi\left(f\right)=\pi\left(g\right)$ and $f\left(0\right)=g\left(0\right)$. Then, $f=g$. Proposition 6.11 is easily proven by reconstructing $f$ and $g$ “bottom-up” along $\widehat{P}$. Alternatively, we can prove Proposition 6.11 directly using Proposition 5.8, as follows: ###### Proof of Proposition 6.11 (sketched).. Since $\pi\left(f\right)=\pi\left(g\right)$, we know that $f$ and $g$ are homogeneously equivalent. By Condition 2 in Definition 6.2 (d), this means that there exists an $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$ such that every $x\in\widehat{P}$ satisfies $g\left(x\right)=a_{\deg x}\cdot f\left(x\right)$. In other words, there exists an $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)\in\left(\mathbb{K}^{\times}\right)^{n+2}$ such that $g=\left(a_{0},a_{1},...,a_{n+1}\right)\flat f$ (where $\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\in\mathbb{K}^{\widehat{P}}$ is defined as in Definition 5.2). Consider this $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)$. Since $g=\left(a_{0},a_{1},...,a_{n+1}\right)\flat f$, we know that $\displaystyle\left(\text{the w-tuple of }g\right)$ $\displaystyle=\left(\text{the w-tuple of }\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\right)$ $\displaystyle=\left(\dfrac{a_{0}}{a_{1}}\mathbf{w}_{0}\left(f\right),\dfrac{a_{1}}{a_{2}}\mathbf{w}_{1}\left(f\right),...,\dfrac{a_{n}}{a_{n+1}}\mathbf{w}_{n}\left(f\right)\right)$ (by Proposition 5.8). Compared with $\left(\text{the w-tuple of }g\right)=\left(\mathbf{w}_{0}\left(g\right),\mathbf{w}_{1}\left(g\right),...,\mathbf{w}_{n}\left(g\right)\right)=\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right),$ this yields $\left(\dfrac{a_{0}}{a_{1}}\mathbf{w}_{0}\left(f\right),\dfrac{a_{1}}{a_{2}}\mathbf{w}_{1}\left(f\right),...,\dfrac{a_{n}}{a_{n+1}}\mathbf{w}_{n}\left(f\right)\right)=\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right).$ In other words, $\dfrac{a_{i}}{a_{i+1}}\mathbf{w}_{i}\left(f\right)=\mathbf{w}_{i}\left(f\right)$ for every $i\in\left\\{0,1,...,n\right\\}$. Hence, $\dfrac{a_{i}}{a_{i+1}}=1$ for every $i\in\left\\{0,1,...,n\right\\}$ (here, we cancelled out $\mathbf{w}_{i}\left(f\right)$, because by assumption we don’t have $\mathbf{w}_{i}\left(f\right)=0$). In other words, $a_{i}=a_{i+1}$ for every $i\in\left\\{0,1,...,n\right\\}$. Thus, $a_{0}=a_{1}=...=a_{n+1}$. But since $g=\left(a_{0},a_{1},...,a_{n+1}\right)\flat f$, we have $g\left(0\right)=\left(\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\right)\left(0\right)=a_{\deg 0}\cdot f\left(0\right)=a_{0}\cdot f\left(0\right)$ (since $\deg 0=0$), so that $f\left(0\right)=g\left(0\right)=a_{0}\cdot f\left(0\right)$. Since $f\left(0\right)\neq 0$ (because $f$ is zero-free, and the only element of $\widehat{P}_{0}$ is $0$), we can cancel $f\left(0\right)$ here and obtain $1=a_{0}$. In view of this, $a_{0}=a_{1}=...=a_{n+1}$ becomes $a_{0}=a_{1}=...=a_{n+1}=1$. Thus, $\left(a_{0},a_{1},...,a_{n+1}\right)=\left(\underbrace{1,1,...,1}_{n+2\text{ times}}\right)$, so that $g=\left(a_{0},a_{1},...,a_{n+1}\right)\flat f=\left(\underbrace{1,1,...,1}_{n+2\text{ times}}\right)\flat f=f$, proving Proposition 6.11. ∎ ###### Definition 6.12. Let $\mathbb{K}$ be a field. In the following, if $S$ is a finite set, and $q$ is an element of a projective space $\mathbb{P}\left(\mathbb{K}^{S}\right)$ of the free vector space with basis $S$, and $k$ is an integer, then $q^{k}$ will denote the element of $\mathbb{P}\left(\mathbb{K}^{S}\right)$ obtained by replacing every homogeneous coordinate of $q$ by its $k$-th power. This is well-defined (and will mostly be used for $k=-1$). In particular, this definition applies to $S=\left\\{1,2,...,n\right\\}$ for $n\in\mathbb{N}$ (in which case $\mathbb{K}^{S}=\mathbb{K}^{n}$). We can explicitly describe the action of the $\overline{R_{i}}$ when the “structure of the poset $P$ between degrees $i-1$, $i$ and $i+1$” is particularly simple: ###### Proposition 6.13. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Fix $i\in\left\\{1,2,...,n\right\\}$. Assume that every $u\in\widehat{P}_{i}$ and every $v\in\widehat{P}_{i+1}$ satisfy $u\lessdot v$. Assume further that every $u\in\widehat{P}_{i-1}$ and every $v\in\widehat{P}_{i}$ satisfy $u\lessdot v$. Let $f\in\mathbb{K}^{\widehat{P}}$. Then, $\displaystyle\left(\pi_{1}\left(R_{i}f\right),\pi_{2}\left(R_{i}f\right),...,\pi_{n}\left(R_{i}f\right)\right)$ $\displaystyle=\left(\pi_{1}\left(f\right),\pi_{2}\left(f\right),...,\pi_{i-1}\left(f\right),\left(\pi_{i}\left(f\right)\right)^{-1},\pi_{i+1}\left(f\right),\pi_{i+2}\left(f\right),...,\pi_{n}\left(f\right)\right).$ From this proposition, we obtain two corollaries: ###### Corollary 6.14. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Fix $i\in\left\\{1,2,...,n\right\\}$. Assume that every $u\in\widehat{P}_{i}$ and every $v\in\widehat{P}_{i+1}$ satisfy $u\lessdot v$. Assume further that every $u\in\widehat{P}_{i-1}$ and every $v\in\widehat{P}_{i}$ satisfy $u\lessdot v$. Let $\widetilde{f}=\left(\widetilde{f}_{1},\widetilde{f}_{2},...,\widetilde{f}_{n}\right)\in\overline{\mathbb{K}^{\widehat{P}}}$. Then, $\overline{R_{i}}\left(\widetilde{f}\right)=\left(\widetilde{f}_{1},\widetilde{f}_{2},...,\widetilde{f}_{i-1},\widetilde{f}_{i}^{-1},\widetilde{f}_{i+1},\widetilde{f}_{i+2},...,\widetilde{f}_{n}\right).$ ###### Corollary 6.15. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Assume that, for every $i\in\left\\{1,2,...,n-1\right\\}$, every $u\in\widehat{P}_{i}$ and every $v\in\widehat{P}_{i+1}$ satisfy $u\lessdot v$. Let $f\in\mathbb{K}^{\widehat{P}}$ be zero-free. Then, $\left(\pi_{1}\left(Rf\right),\pi_{2}\left(Rf\right),...,\pi_{n}\left(Rf\right)\right)=\left(\left(\pi_{1}\left(f\right)\right)^{-1},\left(\pi_{2}\left(f\right)\right)^{-1},...,\left(\pi_{n}\left(f\right)\right)^{-1}\right).$ ## 7 Order In this short section, we will relate the orders of the maps $R$ and $\overline{R}$ for a graded poset $P$. The relation will later be used to gain knowledge on both of these orders. We begin by defining the order of a partial map: ###### Definition 7.1. Let $S$ be a set. (a) If $\alpha$ and $\beta$ are two partial maps from the set $S$, then we write “$\alpha=\beta$” if and only if every $s\in S$ for which both $\alpha\left(s\right)$ and $\beta\left(s\right)$ are well-defined satisfies $\alpha\left(s\right)=\beta\left(s\right)$. This is, per se, not a well- behaved notation (e.g., it is possible that three partial maps $\alpha$, $\beta$ and $\gamma$ satisfy $\alpha=\beta$ and $\beta=\gamma$ but not $\alpha=\gamma$). However, we are going to use this notation for rational maps and their quotients (and, of course, total maps) only; in all of these cases, the notation is well-behaved (e.g., if $\alpha$, $\beta$ and $\gamma$ are three rational maps satisfying $\alpha=\beta$ and $\beta=\gamma$, then $\alpha=\gamma$, because the intersection of two Zariski-dense open subsets is Zariski-dense and open). (b) The order of a partial map $\varphi:S\dashrightarrow S$ is defined to be the smallest positive integer $k$ satisfying $\varphi^{k}=\operatorname*{id}\nolimits_{S}$, if such a positive integer $k$ exists, and $\infty$ otherwise. Here, we are disregarding the fact that $\varphi$ is only a partial map; we will be working only with dominant rational maps and their quotients (and total maps), so nothing will go wrong. We denote the order of a partial map $\varphi:S\dashrightarrow S$ as $\operatorname*{ord}\varphi$. ###### Convention 7.2. In the following, we are going to occasionally make arithmetical statements involving the symbol $\infty$. We declare that $0$ and $\infty$ are divisible by $\infty$, but no positive integer is divisible by $\infty$. We further declare that every positive integer (but not $0$) divides $\infty$. We set $\operatorname{lcm}\left(a,\infty\right)$ and $\operatorname{lcm}\left(\infty,a\right)$ to mean $\infty$ whenever $a$ is a positive integer. As a consequence of Proposition 6.11, we have: ###### Proposition 7.3. Let $n\in\mathbb{N}$. Let $\mathbb{K}$ be a field. Let $P$ be an $n$-graded poset. Then, $\operatorname*{ord}R=\operatorname{lcm}\left(n+1,\operatorname*{ord}\overline{R}\right)$. (Recall that $\operatorname{lcm}\left(n+1,\infty\right)$ is to be understood as $\infty$.) The proof of this boils down to considering the effect of $R$ on the w-tuple $\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right)$ and on the homogenization $\pi\left(f\right)$ of a $\mathbb{K}$-labelling $f$. The effect on the w-tuple is a cyclic shift (by Proposition 4.4), which has order $n+1$. The effect on the homogenization is $\overline{R}$. It is now easy to see (invoking Proposition 6.11) that the order of $R$ is the $\operatorname{lcm}$ of the orders of these two actions. Here are the details of this derivation: ###### Proof of Proposition 7.3 (sketched).. 1st step: The commutativity of the diagram (16) yields $\overline{R}\circ\pi=\pi\circ R$. Hence, $\text{every }\ell\in\mathbb{N}\text{ satisfies }\overline{R}^{\ell}\circ\pi=\pi\circ R^{\ell}$ (17) (this is clear by induction over $\ell$). Thus, if some $\ell\in\mathbb{N}$ satisfies $R^{\ell}=\operatorname*{id}$, then it satisfies $\overline{R}^{\ell}=\operatorname*{id}$ as well202020Proof. Let $\ell\in\mathbb{N}$ be such that $R^{\ell}=\operatorname*{id}$. Then, $\overline{R}^{\ell}\circ\pi=\pi\circ\underbrace{R^{\ell}}_{=\operatorname*{id}}=\pi$. Since $\pi$ is right-cancellable (since $\pi$ is surjective), this yields $\overline{R}^{\ell}=\operatorname*{id}$, qed.. Hence, $\operatorname*{ord}\overline{R}\mid\operatorname*{ord}R$ (recall that every positive integer divides $\infty$, but only $0$ and $\infty$ are divisible by $\infty$). In particular, if $\operatorname*{ord}\overline{R}=\infty$, then $\operatorname*{ord}R=\infty$. Thus, Proposition 7.3 is obvious in the case when $\operatorname*{ord}\overline{R}=\infty$. Hence, for the rest of the proof of Proposition 7.3, we can WLOG assume that $\operatorname*{ord}\overline{R}\neq\infty$. Assume this. 2nd step: Since $\operatorname*{ord}\overline{R}\neq\infty$, we know that $\operatorname*{ord}\overline{R}$ is a positive integer. Let $m$ be this positive integer. Then, $m=\operatorname*{ord}\overline{R}$, so that $\overline{R}^{m}=\operatorname*{id}$. Let $\ell=\operatorname{lcm}\left(n+1,m\right)$. Then, $n+1\mid\ell$ and $m\mid\ell$. Since $\operatorname*{ord}\overline{R}=m\mid\ell$, we have $\overline{R}^{\ell}=\operatorname*{id}$. But from (17), we have $\pi\circ R^{\ell}=\underbrace{\overline{R}^{\ell}}_{=\operatorname*{id}}\circ\pi=\pi$. We are now going to prove that $R^{\ell}=\operatorname*{id}$. In order to prove this, it is clearly enough to show that almost every (in the sense of Zariski topology) zero-free $\mathbb{K}$-labelling $f$ of $P$ satisfies $R^{\ell}f=\operatorname*{id}f$ (because $R^{\ell}f=\operatorname*{id}f$ is a polynomial identity in the labels of $f$). But it is easily shown that for almost every (in the sense of Zariski topology) zero-free $\mathbb{K}$-labelling $f$ of $P$, the w-tuple $\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right)$ of $f$ consists of nonzero elements of $\mathbb{K}$. 212121Proof. We will prove a slightly better result: Almost every $f\in\mathbb{K}^{\widehat{P}}$ is a zero-free $\mathbb{K}$-labelling of $P$ with the property that $\left(\mathbf{w}_{i}\left(f\right)\text{ is well-defined and nonzero for every }i\in\left\\{0,1,...,n\right\\}\right).$ (18) In fact, the condition (18) on an $f\in\mathbb{K}^{\widehat{P}}$ is a requirement saying that certain rational expressions in the values of $f$ do not vanish (namely, the denominators in $\mathbf{w}_{i}\left(f\right)$ and the sums $\mathbf{w}_{i}\left(f\right)$ themselves). If we can prove that none of these expressions is identically zero, then it will follow that for almost every $f\in\mathbb{K}^{\widehat{P}}$, none of these expressions vanishes (because there are only finitely many expressions whose vanishing we are trying to avoid, and the infiniteness of $\mathbb{K}$ allows us to avoid them all if none of them is identically zero); thus (18) will follow and we will be done. Hence, it remains to show that none of these expressions is identically zero. Assume the contrary. Then, one of our rational expressions – either a denominator in one of the $\mathbf{w}_{i}\left(f\right)$, or one of the sums $\mathbf{w}_{i}\left(f\right)$ – identically vanishes. It must be one of the sums $\mathbf{w}_{i}\left(f\right)$, since the denominators in the $\mathbf{w}_{i}\left(f\right)$ cannot identically vanish (they are simply values $f\left(y\right)$). So there exists some $i\in\left\\{0,1,...,n\right\\}$ such that every $\mathbb{K}$-labelling $f$ of $P$ (for which $\mathbf{w}_{i}\left(f\right)$ is well-defined) satisfies $\mathbf{w}_{i}\left(f\right)=0$. Consider this $i$. Notice that $i\leqslant n$ and thus $1\notin\widehat{P}_{i}$. We have $0=\mathbf{w}_{i}\left(f\right)=\sum_{\begin{subarray}{c}x\in\widehat{P}_{i};\ y\in\widehat{P}_{i+1};\\\ y\gtrdot x\end{subarray}}\dfrac{f\left(x\right)}{f\left(y\right)}=\sum_{x\in\widehat{P}_{i}}f\left(x\right)\sum_{\begin{subarray}{c}y\in\widehat{P}_{i+1};\\\ y\gtrdot x\end{subarray}}\dfrac{1}{f\left(y\right)}.$ This forces the sum $\sum_{\begin{subarray}{c}y\in\widehat{P}_{i+1};\\\ y\gtrdot x\end{subarray}}\dfrac{1}{f\left(y\right)}$ to be identically $0$ for every $x\in\widehat{P}_{i}$ (because these sums for different values of $x$ are prevented from canceling each other by the completely independent $f\left(x\right)$ coefficients in front of them). Fix some $x\in\widehat{P}_{i}$ (such an $x$ clearly exists since $\deg:\widehat{P}\rightarrow\left\\{0,1,...,n+1\right\\}$ is surjective), and ponder what it means for the sum $\sum_{\begin{subarray}{c}y\in\widehat{P}_{i+1};\\\ y\gtrdot x\end{subarray}}\dfrac{1}{f\left(y\right)}$ to be identically $0$. It means that this sum is empty, i.e., that there exists no $y\in\widehat{P}_{i+1}$ satisfying $y\gtrdot x$. But this can only happen when $x=1$, which is not the case in our situation (because $x\in\widehat{P}_{i}$ and $1\notin\widehat{P}_{i}$). So we have obtained a contradiction. Hence, in order to prove $R^{\ell}=\operatorname*{id}$, it is enough to show that every zero-free $\mathbb{K}$-labelling $f$ of $P$ for which the w-tuple $\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right)$ of $f$ consists of nonzero elements of $\mathbb{K}$ satisfies $R^{\ell}f=\operatorname*{id}f$. This is what we are going to do now. So let $f$ be a zero-free $\mathbb{K}$-labelling of $P$ for which the w-tuple $\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right)$ of $f$ consists of nonzero elements of $\mathbb{K}$. We will prove that $R^{\ell}f=\operatorname*{id}f$. From Proposition 4.4, we know that the map $R$ changes the w-tuple of a $\mathbb{K}$-labelling by shifting it cyclically. Hence, for every $k\in\mathbb{N}$, the map $R^{k}$ changes the w-tuple of a $\mathbb{K}$-labelling by shifting it cyclically $k$ times. If this $k$ is divisible by $n+1$, then this obviously means that the map $R^{k}$ preserves the w-tuple of a $\mathbb{K}$-labelling (because the w-tuple has $n+1$ entries, and thus shifting it cyclically for a multiple of $n+1$ times leaves it invariant). Hence, the w-tuple of $f$ equals the w-tuple of $R^{\ell}f$. Recalling the definition of a w-tuple, we can rewrite this as follows: $\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right)=\left(\mathbf{w}_{0}\left(R^{\ell}f\right),\mathbf{w}_{1}\left(R^{\ell}f\right),...,\mathbf{w}_{n}\left(R^{\ell}f\right)\right).$ Moreover, by assumption, the w-tuple $\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right)$ of $f$ consists of nonzero elements of $\mathbb{K}$. In other words, no $i\in\left\\{0,1,...,n\right\\}$ satisfies $\mathbf{w}_{i}\left(f\right)=0$. Furthermore $\pi\left(R^{\ell}f\right)=\underbrace{\left(\pi\circ R^{\ell}\right)}_{=\pi}f=\pi\left(f\right)$. Also, Corollary 2.18 (applied to $k=\ell$) yields $\left(R^{\ell}f\right)\left(0\right)=f\left(0\right)$. We now can apply Proposition 6.11 to $g=R^{\ell}f$. As a result, we obtain $R^{\ell}f=f$. In other words, $R^{\ell}f=\operatorname*{id}f$. Now forget that we fixed $f$. We have thus shown that $R^{\ell}f=\operatorname*{id}f$ for every zero-free $\mathbb{K}$-labelling $f$ of $P$ for which the w-tuple $\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right)$ of $f$ consists of nonzero elements of $\mathbb{K}$. Therefore, we have shown that $R^{\ell}=\operatorname*{id}$ (by what we have said above). Thus, $\operatorname*{ord}R\mid\ell=\operatorname{lcm}\left(n+1,\underbrace{m}_{=\operatorname*{ord}\overline{R}}\right)=\operatorname{lcm}\left(n+1,\operatorname*{ord}\overline{R}\right)$. 3rd step: We now will show that $\operatorname{lcm}\left(n+1,\operatorname*{ord}\overline{R}\right)\mid\operatorname*{ord}R$. In order to do that, we assume WLOG that $\operatorname*{ord}R\neq\infty$ (because otherwise, $\operatorname{lcm}\left(n+1,\operatorname*{ord}\overline{R}\right)\mid\operatorname*{ord}R$ is obvious). Hence, $\operatorname*{ord}R$ is a positive integer. Denote this positive integer by $q$. So, $q=\operatorname*{ord}R$. It is easy to see that for almost every (in the sense of Zariski topology) zero-free $\mathbb{K}$-labelling $f$ of $P$, the entries of the w-tuple $\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right)$ of $f$ are pairwise distinct. Hence, there exists a zero-free $\mathbb{K}$-labelling $f$ of $P$ such that the entries of the w-tuple $\left(\mathbf{w}_{0}\left(f\right),\mathbf{w}_{1}\left(f\right),...,\mathbf{w}_{n}\left(f\right)\right)$ of $f$ are pairwise distinct and such that $R^{k}f$ is well-defined for all $k\in\left\\{0,1,...,q\right\\}$. Consider such an $f$. Since $q=\operatorname*{ord}R$, we have $R^{q}=\operatorname*{id}$, so that $R^{q}f=f$. Recall once again (from the 2nd step) that for every $k\in\mathbb{N}$, the map $R^{k}$ changes the w-tuple of a $\mathbb{K}$-labelling by shifting it cyclically $k$ times. In particular, the map $R^{q}$ changes the w-tuple of the $\mathbb{K}$-labelling $f$ by shifting it cyclically $q$ times. In other words, the w-tuple of $R^{q}f$ is obtained from the w-tuple of $f$ by shifting it cyclically $q$ times. Since $R^{q}f=f$, this rewrites as follows: The w-tuple of $f$ is obtained from the w-tuple of $f$ by shifting it cyclically $q$ times. In other words, the w-tuple of $f$ is fixed under a $q$-fold cyclic shift. But since the w-tuple of $f$ is an $\left(n+1\right)$-tuple of pairwise distinct entries, this can only happen if $n+1\mid q$. Hence, we have $n+1\mid q$. Combining $n+1\mid q=\operatorname*{ord}R$ with $\operatorname*{ord}\overline{R}\mid\operatorname*{ord}R$, we obtain $\operatorname{lcm}\left(n+1,\operatorname*{ord}\overline{R}\right)\mid\operatorname*{ord}R$. Combining this with $\operatorname*{ord}R\mid\operatorname{lcm}\left(n+1,\operatorname*{ord}\overline{R}\right)$, we obtain $\operatorname*{ord}R=\operatorname{lcm}\left(n+1,\operatorname*{ord}\overline{R}\right)$. This proves Proposition 7.3. ∎ ## 8 The opposite poset Before we move on to the first interesting class of posets for which we can compute the order of birational rowmotion, let us prove an easy “symmetry property” of birational rowmotion. ###### Definition 8.1. Let $P$ be a poset. Then, $P^{\operatorname*{op}}$ will denote the poset defined on the same ground set as $P$ but with the order relation defined by $\left(\left(a<_{P^{\operatorname*{op}}}b\text{ if and only if }b<_{P}a\right)\text{ for all }a\in P\text{ and }b\in P\right)$ (where $<_{P}$ denotes the smaller relation of the poset $P$, and where $<_{P^{\operatorname*{op}}}$ denotes the smaller relation of the poset $P^{\operatorname*{op}}$ which we are defining). The poset $P^{\operatorname*{op}}$ is called the opposite poset of $P$. Note that $P^{\operatorname*{op}}$ is called the dual of the poset $P$ in [Stan11]. ###### Remark 8.2. It is clear that $\left(P^{\operatorname*{op}}\right)^{\operatorname*{op}}=P$ for any poset $P$. Also, if $n\in\mathbb{N}$, and if $P$ is an $n$-graded poset, then $P^{\operatorname*{op}}$ is an $n$-graded poset. ###### Definition 8.3. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. We denote the maps $R$ and $\overline{R}$ by $R_{P}$ and $\overline{R}_{P}$, respectively, so as to make their dependence on $P$ explicit. We can now state a symmetry property of $\operatorname*{ord}R$ (as defined in Definition 7.1): ###### Proposition 8.4. Let $P$ be a finite poset. Let $\mathbb{K}$ be a field. Then, $\operatorname*{ord}\left(R_{P^{\operatorname*{op}}}\right)=\operatorname*{ord}\left(R_{P}\right)$ and $\operatorname*{ord}\left(\overline{R}_{P^{\operatorname*{op}}}\right)=\operatorname*{ord}\left(\overline{R}_{P}\right)$. ###### Proof of Proposition 8.4 (sketched).. Define a rational map $\kappa:\mathbb{K}^{\widehat{P}}\dashrightarrow\mathbb{K}^{\widehat{P^{\operatorname*{op}}}}$ by $\left(\kappa f\right)\left(w\right)=\left\\{\begin{array}[c]{c}\dfrac{1}{f\left(w\right)},\ \ \ \ \ \ \ \ \ \ \text{if }w\in P;\\\ \dfrac{1}{f\left(1\right)},\ \ \ \ \ \ \ \ \ \ \text{if }w=0;\\\ \dfrac{1}{f\left(0\right)},\ \ \ \ \ \ \ \ \ \ \text{if }w=1\end{array}\right.\ \ \ \ \ \ \ \ \ \ \text{for every }w\in\widehat{P^{\operatorname*{op}}}\text{ for every }f\in\mathbb{K}^{\widehat{P}}.$ This map $\kappa$ is a birational map. (Its inverse map is defined in the same way.) We claim that $\kappa\circ R_{P}=R_{P^{\operatorname*{op}}}^{-1}\circ\kappa$. Indeed, it is easy to see (by computation) that every element $v\in P$ satisfies $\kappa\circ T_{v}=T_{v}\circ\kappa,$ (19) where the $T_{v}$ on the left hand side is defined with respect to the poset $P$, and the $T_{v}$ on the right hand side is defined with respect to the poset $P^{\operatorname*{op}}$. Now, let $\left(v_{1},v_{2},...,v_{m}\right)$ be a linear extension of $P$. Then, $\left(v_{m},v_{m-1},...,v_{1}\right)$ is a linear extension of $P^{\operatorname*{op}}$, so that Proposition 2.20 (applied to $P^{\operatorname*{op}}$ and $\left(v_{m},v_{m-1},...,v_{1}\right)$ instead of $P$ and $\left(v_{1},v_{2},...,v_{m}\right)$) yields that $R_{P^{\operatorname*{op}}}^{-1}=T_{v_{1}}\circ T_{v_{2}}\circ...\circ T_{v_{m}}:\mathbb{K}^{\widehat{P^{\operatorname*{op}}}}\dashrightarrow\mathbb{K}^{\widehat{P^{\operatorname*{op}}}}$. On the other hand, the definition of $R_{P}$ yields $R_{P}=T_{v_{1}}\circ T_{v_{2}}\circ...\circ T_{v_{m}}:\mathbb{K}^{\widehat{P}}\dashrightarrow\mathbb{K}^{\widehat{P}}$. Now, using (19), it is easy to see that $\kappa\circ\left(T_{v_{1}}\circ T_{v_{2}}\circ...\circ T_{v_{m}}\right)=\left(T_{v_{1}}\circ T_{v_{2}}\circ...\circ T_{v_{m}}\right)\circ\kappa.$ Since the $T_{v_{1}}\circ T_{v_{2}}\circ...\circ T_{v_{m}}$ on the left hand side equals $R_{P}$, and the $T_{v_{1}}\circ T_{v_{2}}\circ...\circ T_{v_{m}}$ on the right hand side equals $R_{P^{\operatorname*{op}}}^{-1}$, this rewrites as $\kappa\circ R_{P}=R_{P^{\operatorname*{op}}}^{-1}\circ\kappa$. Since $\kappa$ is a birational map, this shows that $R_{P}$ and $R_{P^{\operatorname*{op}}}^{-1}$ are birationally equivalent, so that $\operatorname*{ord}\left(R_{P}\right)=\operatorname*{ord}\left(R_{P^{\operatorname*{op}}}^{-1}\right)=\operatorname*{ord}\left(R_{P^{\operatorname*{op}}}\right)$. Since $\kappa$ commutes with homogenization, we also obtain the birational equivalence of the maps $\overline{R}_{P}$ and $\overline{R}_{P^{\operatorname*{op}}}^{-1}$, whence $\operatorname*{ord}\left(\overline{R}_{P}\right)=\operatorname*{ord}\left(\overline{R}_{P^{\operatorname*{op}}}^{-1}\right)=\operatorname*{ord}\left(\overline{R}_{P^{\operatorname*{op}}}\right)$. This proves Proposition 8.4. ∎ ## 9 Skeletal posets We will now introduce a class of posets which we call “skeletal posets”. Roughly speaking, these are graded posets built up inductively from the empty poset by the operations of disjoint union (but only allowing disjoint union of two $n$-graded posets for one and the same value of $n$) and “grafting” on an antichain (generalizing the idea of grafting a tree on a new root). In particular, all graded forests (oriented either away from the roots or towards the roots) will belong to this class of posets, but also various other posets. We begin by defining the notions involved: ###### Definition 9.1. Let $n\in\mathbb{N}$. Let $P$ and $Q$ be two $n$-graded posets. We denote by $PQ$ the disjoint union of the posets $P$ and $Q$. (This disjoint union is denoted by $P+Q$ in [Stan11, §3.2]. Its poset structure is defined in such a way that any element of $P$ and any element of $Q$ are incomparable, while $P$ and $Q$ are subposets of $PQ$.) Clearly, $PQ$ is again an $n$-graded poset. ###### Definition 9.2. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $k$ be a positive integer. We denote by $B_{k}P$ the result of adding $k$ new elements to the poset $P$, and declaring these $k$ elements to be smaller than each of the elements of $P$ (but incomparable with each other). Clearly, $B_{k}P$ is an $\left(n+1\right)$-graded poset. ###### Definition 9.3. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $k$ be a positive integer. We denote by $B_{k}^{\prime}P$ the result of adding $k$ new elements to the poset $P$, and declaring these $k$ elements to be larger than each of the elements of $P$ (but incomparable with each other). Clearly, $B_{k}^{\prime}P$ is an $\left(n+1\right)$-graded poset. If $P$ is an $n$-graded poset and $k$ is a positive integer, then, in the notations of Stanley ([Stan11, §3.2]), we have $B_{k}P=A_{k}\oplus P$ and $B_{k}^{\prime}P=P\oplus A_{k}$, where $A_{k}$ denotes the $k$-element antichain. It is easy to see that $B_{k}P$ and $B_{k}^{\prime}P$ are “symmetric” notions with respect to taking the opposite poset: ###### Proposition 9.4. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Then, $B_{k}^{\prime}P=\left(B_{k}\left(P^{\operatorname*{op}}\right)\right)^{\operatorname*{op}}$. (Here, we are using the notation introduced in Definition 8.1.) We now define the notion of a skeletal poset: ###### Definition 9.5. We define the class of skeletal posets inductively by means of the following axioms: – The empty poset is skeletal. – If $P$ is an $n$-graded skeletal poset and $k$ is a positive integer, then the posets $B_{k}P$ and $B_{k}^{\prime}P$ are skeletal. – If $n$ is a nonnegative integer and $P$ and $Q$ are two $n$-graded skeletal posets, then the poset $PQ$ is skeletal. Notice that every skeletal poset is graded. Also, notice that every graded rooted forest (made into a poset by having every node smaller than its children) is a skeletal poset. (Indeed, every graded rooted forest can be constructed from $\varnothing$ using merely the operations $P\mapsto B_{1}P$ and $\left(P,Q\right)\mapsto PQ$.) Also, every graded rooted arborescence (i.e., the opposite poset of a graded rooted tree) is a skeletal poset (for a similar reason). ###### Example 9.6. The rooted forest $\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet}$$\textstyle{\bullet}$ is skeletal, and in fact can be written as $\left(B_{1}\left(\left(B_{1}\left(B_{2}\varnothing\right)\right)\left(B_{1}\left(B_{1}\varnothing\right)\right)\right)\right)\left(B_{1}\left(B_{1}\left(B_{1}\varnothing\right)\right)\right)$. (This form of writing is not unique, since $B_{2}\varnothing=\left(B_{1}\varnothing\right)\left(B_{1}\varnothing\right)$.) The tree $\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet}$ can be written as $B_{1}\left(\left(B_{1}\varnothing\right)\left(B_{1}\left(B_{1}\varnothing\right)\right)\right)$, but is not skeletal because $B_{1}\varnothing$ and $B_{1}\left(B_{1}\varnothing\right)$ are not $n$-graded with one and the same $n$. The poset $\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet}$ is neither a tree nor an arborescence, but it has the form $B_{1}\left(\left(B_{2}\left(B_{2}\varnothing\right)\right)\left(B_{1}^{\prime}\left(B_{2}\varnothing\right)\right)\right)$ and is skeletal. Our main result on skeletal posets is the following: ###### Proposition 9.7. Let $P$ be a skeletal poset. Let $\mathbb{K}$ be a field. Then, $\operatorname*{ord}\left(R_{P}\right)$ and $\operatorname*{ord}\left(\overline{R}_{P}\right)$ are finite. In order to be able to prove this proposition, we first build up some machinery for determining $\operatorname*{ord}\left(R_{P}\right)$ and $\operatorname*{ord}\left(\overline{R}_{P}\right)$ given such orders in smaller posets. Here is a very basic fact to get started: ###### Proposition 9.8. Fix $n\in\mathbb{N}$. Let $P$ and $Q$ be two $n$-graded posets. Let $\mathbb{K}$ be a field. Then, $\operatorname*{ord}\left(R_{PQ}\right)=\operatorname{lcm}\left(\operatorname*{ord}\left(R_{P}\right),\operatorname*{ord}\left(R_{Q}\right)\right)$. ###### Proof of Proposition 9.8.. The proof of this is as easy as it looks: a $\mathbb{K}$-labelling of the disjoint union $PQ$ can be regarded as a pair of a $\mathbb{K}$-labelling of $P$ and a $\mathbb{K}$-labelling of $Q$ (with identical labels at $0$ and $1$), and the map $R$ (as well as all $R_{i}$) acts on these labellings independently. ∎ The analogue of Proposition 9.8 with all $R$’s replaced by $\overline{R}$’s is false. Instead, $\operatorname*{ord}\left(\overline{R}_{PQ}\right)$ can be computed as follows:222222The following proposition is, in some sense, uninteresting, as it is a negative result (it merely serves to convince one that $\operatorname*{ord}\left(\overline{R}_{PQ}\right)$ is not lower than what is expected from Propositions 7.3 and 9.8). ###### Proposition 9.9. Fix $n\in\mathbb{N}$. Let $P$ and $Q$ be two $n$-graded posets. Let $\mathbb{K}$ be a field. Then, $\operatorname*{ord}\left(\overline{R}_{PQ}\right)=\operatorname{lcm}\left(\operatorname*{ord}\left(R_{P}\right),\operatorname*{ord}\left(R_{Q}\right)\right)$. ###### Proof of Proposition 9.9 (sketched).. Assume WLOG that $n\neq 0$ (else, everything is obvious). Hence, $P$ and $Q$ are nonempty (being $n$-graded). Proposition 7.3 yields $\operatorname*{ord}\left(R_{PQ}\right)=\operatorname{lcm}\left(n+1,\operatorname*{ord}\left(\overline{R}_{PQ}\right)\right)$. WLOG assume that $\operatorname*{ord}\left(R_{P}\right)$ and $\operatorname*{ord}\left(R_{Q}\right)$ are finite232323Otherwise, $\operatorname{lcm}\left(\operatorname*{ord}\left(R_{P}\right),\operatorname*{ord}\left(R_{Q}\right)\right)$ is infinite, whence $\operatorname*{ord}\left(R_{PQ}\right)$ is infinite (by Proposition 9.8), whence $\operatorname*{ord}\left(\overline{R}_{PQ}\right)$ is infinite (because $\operatorname*{ord}\left(R_{PQ}\right)=\operatorname{lcm}\left(n+1,\operatorname*{ord}\left(\overline{R}_{PQ}\right)\right)$), whence Proposition 9.9 is trivial.. Then, Proposition 9.8 shows that $\operatorname*{ord}\left(R_{PQ}\right)=\operatorname{lcm}\left(\operatorname*{ord}\left(R_{P}\right),\operatorname*{ord}\left(R_{Q}\right)\right)$ is finite, so that $\operatorname*{ord}\left(\overline{R}_{PQ}\right)$ is finite (because $\operatorname*{ord}\left(R_{PQ}\right)=\operatorname{lcm}\left(n+1,\operatorname*{ord}\left(\overline{R}_{PQ}\right)\right)$). Let $\ell$ be $\operatorname*{ord}\left(\overline{R}_{PQ}\right)$. Then, $\ell$ is finite and satisfies $\overline{R}_{PQ}^{\ell}=\operatorname*{id}$. We will show that $n+1\mid\ell$. For every $\mathbb{K}$-labelling $f$ of $PQ$ and every $i\in\left\\{0,1,...,n\right\\}$, define two elements $\mathbf{w}_{i}^{\left(1\right)}\left(f\right)$ and $\mathbf{w}_{i}^{\left(2\right)}\left(f\right)$ of $\mathbb{K}$ by $\mathbf{w}_{i}^{\left(1\right)}\left(f\right)=\sum_{\begin{subarray}{c}x\in\widehat{P}_{i};\ y\in\widehat{P}_{i+1};\\\ y\gtrdot x\end{subarray}}\dfrac{f\left(x\right)}{f\left(y\right)}\ \ \ \ \ \ \ \ \ \ \text{and}\ \ \ \ \ \ \ \ \ \ \mathbf{w}_{i}^{\left(2\right)}\left(f\right)=\sum_{\begin{subarray}{c}x\in\widehat{Q}_{i};\ y\in\widehat{Q}_{i+1};\\\ y\gtrdot x\end{subarray}}\dfrac{f\left(x\right)}{f\left(y\right)}$ (where, of course, $\widehat{P}_{j}$ and $\widehat{Q}_{j}$ are embedded into $\widehat{PQ}_{j}$ for every $j\in\left\\{0,1,...,n+1\right\\}$ in the obvious way). These elements $\mathbf{w}_{i}^{\left(1\right)}\left(f\right)$ and $\mathbf{w}_{i}^{\left(2\right)}\left(f\right)$ are defined not for every $f$, but for “almost every” $f$ in the sense of Zariski topology. We denote the $\left(n+1\right)$-tuple $\left(\mathbf{w}_{0}^{\left(1\right)}\left(f\right)\diagup\mathbf{w}_{0}^{\left(2\right)}\left(f\right),\ \mathbf{w}_{1}^{\left(1\right)}\left(f\right)\diagup\mathbf{w}_{1}^{\left(2\right)}\left(f\right),\ ...,\ \mathbf{w}_{n}^{\left(1\right)}\left(f\right)\diagup\mathbf{w}_{n}^{\left(2\right)}\left(f\right)\right)$ as the comparative w-tuple of the labelling $f$. The advantage of comparative w-tuples over usual w-tuples is the following fact: If $f$ and $g$ are two homogeneously equivalent $\mathbb{K}$-labellings of $PQ$, then $\left(\text{the comparative w-tuple of }f\right)=\left(\text{the comparative w-tuple of }g\right).$ (20) (This is easy to check and has no analogue for regular w-tuples.) It is furthermore easy to see (in analogy to Proposition 4.4) that the map $R_{PQ}$ changes the comparative w-tuple of a $\mathbb{K}$-labelling by shifting it cyclically. But it is also easy to see (the nonemptiness of $P$ and $Q$ must be used here) that there exists some $f\in\mathbb{K}^{\widehat{PQ}}$ such that the ratios $\mathbf{w}_{i}^{\left(1\right)}\left(f\right)\diagup\mathbf{w}_{i}^{\left(2\right)}\left(f\right)$ are well-defined and pairwise distinct for all $i\in\left\\{0,1,...,n\right\\}$ and such that $R^{j}f$ is well-defined for every $j\in\left\\{0,1,...,\ell\right\\}$. Consider such an $f$. The ratios $\mathbf{w}_{i}^{\left(1\right)}\left(f\right)\diagup\mathbf{w}_{i}^{\left(2\right)}\left(f\right)$ are pairwise distinct for all $i\in\left\\{0,1,...,n\right\\}$; that is, the comparative w-tuple of $f$ contains no two equal entries. Since $\overline{R}_{PQ}^{\ell}=\operatorname*{id}$, we have $\overline{R}_{PQ}^{\ell}\left(\pi\left(f\right)\right)=\pi\left(f\right)$. The commutativity of the diagram (16) yields $\overline{R}_{PQ}^{\ell}\circ\pi=\pi\circ R_{PQ}^{\ell}$. Now, $\pi\left(f\right)=\overline{R}_{PQ}^{\ell}\left(\pi\left(f\right)\right)=\left(\underbrace{\overline{R}_{PQ}^{\ell}\circ\pi}_{=\pi\circ R_{PQ}^{\ell}}\right)\left(f\right)=\left(\pi\circ R_{PQ}^{\ell}\right)\left(f\right)=\pi\left(R_{PQ}^{\ell}f\right).$ In other words, the labellings $f$ and $R_{PQ}^{\ell}f$ are homogeneously equivalent. Thus, $\left(\text{the comparative w-tuple of }f\right)=\left(\text{the comparative w-tuple of }R_{PQ}^{\ell}f\right)$ (21) (by (20)). Now, recall that the map $R_{PQ}$ changes the comparative w-tuple of a $\mathbb{K}$-labelling by shifting it cyclically. Hence, for every $k\in\mathbb{N}$, the map $R_{PQ}^{k}$ changes the comparative w-tuple of a $\mathbb{K}$-labelling by shifting it cyclically $k$ times. Applying this to the $\mathbb{K}$-labelling $f$ and to $k=\ell$, we see that the comparative w-tuple of $R_{PQ}^{\ell}f$ is obtained from the comparative w-tuple of $f$ by an $\ell$-fold cyclic shift. Due to (21), this rewrites as follows: The comparative w-tuple of $f$ is obtained from the comparative w-tuple of $f$ by an $\ell$-fold cyclic shift. In other words, the comparative w-tuple of $f$ is invariant under an $\ell$-fold cyclic shift. But since the comparative w-tuple of $f$ consists of $n+1$ pairwise distinct entries, this is impossible unless $n+1\mid\ell$. Hence, we must have $n+1\mid\ell$. Now, $\operatorname*{ord}\left(R_{PQ}\right)=\operatorname{lcm}\left(n+1,\operatorname*{ord}\left(\overline{R}_{PQ}\right)\right)=\operatorname*{ord}\left(\overline{R}_{PQ}\right)$ (since $n+1\mid\ell=\operatorname*{ord}\left(\overline{R}_{PQ}\right)$). Hence, $\operatorname*{ord}\left(\overline{R}_{PQ}\right)=\operatorname*{ord}\left(R_{PQ}\right)=\operatorname{lcm}\left(\operatorname*{ord}\left(R_{P}\right),\operatorname*{ord}\left(R_{Q}\right)\right).$ This proves Proposition 9.9. ∎ Now, let us track the effect of $B_{k}$ on the order of $\overline{R}$: ###### Proposition 9.10. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $\mathbb{K}$ be a field. (a) We have $\operatorname*{ord}\left(\overline{R}_{B_{1}P}\right)=\operatorname*{ord}\left(\overline{R}_{P}\right)$. (b) For every integer $k>1$, we have $\operatorname*{ord}\left(\overline{R}_{B_{k}P}\right)=\operatorname{lcm}\left(2,\operatorname*{ord}\left(\overline{R}_{P}\right)\right)$. ###### Proof of Proposition 9.10 (sketched).. We will be proving parts (a) and (b) together. Let $k$ be a positive integer (this has to be $1$ for proving part (a)). We need to prove that $\operatorname*{ord}\left(\overline{R}_{B_{k}P}\right)=\left\\{\begin{array}[c]{l}\operatorname{lcm}\left(2,\operatorname*{ord}\left(\overline{R}_{P}\right)\right),\ \ \ \ \ \ \ \ \ \ \text{if }k>1;\\\ \operatorname*{ord}\left(\overline{R}_{P}\right),\ \ \ \ \ \ \ \ \ \ \text{if }k=1\end{array}\right..$ (22) Proving this clearly will prove both parts (a) and (b) of Proposition 9.10. Let us make some conventions: * • For any $n$-tuple $\left(\alpha_{1},\alpha_{2},...,\alpha_{n}\right)$ and any object $\beta$, let $\beta\rightthreetimes\alpha$ denote the $\left(n+1\right)$-tuple $\left(\beta,\alpha_{1},\alpha_{2},...,\alpha_{n}\right)$. * • We are going to identify $P$ with a subposet of $B_{k}P$ in the obvious way. But of course, the degree map of $B_{k}P$ restricted to $P$ is not identical with the degree map of $P$ (but rather differs from it by $1$), so we will have to distinguish between “degree in $P$” and “degree in $B_{k}P$”. We identify the elements $0$ and $1$ of $\widehat{P}$ with the elements $0$ and $1$ of $\widehat{B_{k}P}$, respectively. Thus, $\widehat{P}$ becomes a subposet of $\widehat{B_{k}P}$. However, it is not generally true that every $u\lessdot v$ in $\widehat{P}$ must satisfy $u\lessdot v$ in $\widehat{B_{k}P}$. * • We have a rational map $\pi:\mathbb{K}^{\widehat{P}}\dashrightarrow\overline{\mathbb{K}^{\widehat{P}}}$ and a rational map $\pi:\mathbb{K}^{\widehat{B_{k}P}}\dashrightarrow\overline{\mathbb{K}^{\widehat{B_{k}P}}}$ denoted by the same letter. This is not problematic, because these two maps can be distinguished by their different domains. We will also use the letter $\pi$ to denote the rational map $\mathbb{K}^{k}\dashrightarrow\mathbb{P}\left(\mathbb{K}^{k}\right)$ obtained from the canonical projection $\mathbb{K}^{k}\setminus\left\\{0\right\\}\rightarrow\mathbb{P}\left(\mathbb{K}^{k}\right)$ of the nonzero vectors in $\mathbb{K}^{k}$ onto the projective space. Now, we recall that the construction of $B_{k}P$ from $P$ involved adding $k$ new (pairwise incomparable) elements smaller than all existing elements of $P$ to the poset. This operation clearly raises the degree of every element of $P$ by $1$ 242424In terms of the Hasse diagram, this can be regarded as the $k$ new elements “bumping up” all existing elements of $P$ by $1$ degree., whereas the $k$ newly added elements all obtain degree $1$ in $B_{k}P$. Formally speaking, this means that $\widehat{B_{k}P}_{i}=\widehat{P}_{i-1}$ for every $i\in\left\\{2,3,...,n+1\right\\}$, while $\widehat{B_{k}P}_{1}$ is a $k$-element set. Moreover, for any $i\in\left\\{2,3,...,n+1\right\\}$, any $u\in\widehat{B_{k}P}_{i}=\widehat{P}_{i-1}$ and any $v\in\widehat{B_{k}P}_{i+1}=\widehat{P}_{i}$, we have $u\lessdot v\text{ in }\widehat{B_{k}P}\text{ if and only if }u\lessdot v\text{ in }\widehat{P}\text{.}$ (This would not be true if we would allow $i=1$, $u\in\widehat{P}_{0}$ and $v\in\widehat{P}_{1}$.) We have $\mathbb{K}^{\widehat{B_{k}P}_{i}}=\mathbb{K}^{\widehat{P}_{i-1}}$ for every $i\in\left\\{2,3,...,n+1\right\\}$ (since $\widehat{B_{k}P}_{i}=\widehat{P}_{i-1}$ for every $i\in\left\\{2,3,...,n+1\right\\}$), whereas $\mathbb{K}^{\widehat{B_{k}P}_{1}}\cong\mathbb{K}^{k}$ (since $\widehat{B_{k}P}_{1}$ is a $k$-element set). We will actually identify $\mathbb{K}^{\widehat{B_{k}P}_{1}}$ with $\mathbb{K}^{k}$. Now, $\displaystyle\overline{\mathbb{K}^{\widehat{B_{k}P}}}$ $\displaystyle=\prod\limits_{i=1}^{n+1}\mathbb{P}\left(\mathbb{K}^{\widehat{B_{k}P}_{i}}\right)=\mathbb{P}\left(\underbrace{\mathbb{K}^{\widehat{B_{k}P}_{1}}}_{=\mathbb{K}^{k}}\right)\times\prod\limits_{i=2}^{n+1}\mathbb{P}\left(\underbrace{\mathbb{K}^{\widehat{B_{k}P}_{i}}}_{=\mathbb{K}^{\widehat{P}_{i-1}}}\right)$ $\displaystyle=\mathbb{P}\left(\mathbb{K}^{k}\right)\times\prod\limits_{i=2}^{n+1}\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i-1}}\right)=\mathbb{P}\left(\mathbb{K}^{k}\right)\times\underbrace{\prod\limits_{i=1}^{n}\mathbb{P}\left(\mathbb{K}^{\widehat{P}_{i}}\right)}_{=\overline{\mathbb{K}^{\widehat{P}}}}=\mathbb{P}\left(\mathbb{K}^{k}\right)\times\overline{\mathbb{K}^{\widehat{P}}}.$ (23) Thus, the elements of $\overline{\mathbb{K}^{\widehat{B_{k}P}}}$ have the form $\widetilde{p}\rightthreetimes\widetilde{g}$, where $\widetilde{p}\in\mathbb{P}\left(\mathbb{K}^{k}\right)$ and $\widetilde{g}\in\overline{\mathbb{K}^{\widehat{P}}}$. On the other hand, recall that $\widehat{P}$ is a subposet of $\widehat{B_{k}P}$. More precisely, $\widehat{P}$ is the subposet $\widehat{B_{k}P}\setminus\widehat{B_{k}P}_{1}$ of $\widehat{B_{k}P}$. Thus, we can define a map $\Phi:\mathbb{K}^{k}\times\mathbb{K}^{\widehat{P}}\rightarrow\mathbb{K}^{\widehat{B_{k}P}}$ by setting $\left(\Phi\left(p,g\right)\right)\left(v\right)=\left\\{\begin{array}[c]{c}p\left(v\right),\ \ \ \ \ \ \ \ \ \ \text{if }v\in\widehat{B_{k}P}_{1};\\\ g\left(v\right),\ \ \ \ \ \ \ \ \ \ \text{if }v\notin\widehat{B_{k}P}_{1}\end{array}\right.\ \ \ \ \ \ \ \ \ \ \text{for every }v\in\widehat{B_{k}P}$ for every $\left(p,g\right)\in\mathbb{K}^{k}\times\mathbb{K}^{\widehat{P}}$. Here, the term $p\left(v\right)$ is to be understood by means of regarding $p$ as an element of $\mathbb{K}^{\widehat{B_{k}P}_{1}}$ (since $p\in\mathbb{K}^{k}=\mathbb{K}^{\widehat{B_{k}P}_{1}}$). Clearly, $\Phi$ is a bijection. Moreover, it is easy to see that $\pi\left(\Phi\left(p,g\right)\right)=\pi\left(p\right)\rightthreetimes\pi\left(g\right)\ \ \ \ \ \ \ \ \ \ \text{for all }p\in\mathbb{K}^{k}\text{ and }g\in\mathbb{K}^{\widehat{P}}$ (24) (where the $\pi$ on the left hand side is the map $\pi:\mathbb{K}^{\widehat{B_{k}P}}\dashrightarrow\overline{\mathbb{K}^{\widehat{B_{k}P}}}$, whereas the $\pi$ in “$\pi\left(p\right)$” is the map $\pi:\mathbb{K}^{k}\dashrightarrow\mathbb{P}\left(\mathbb{K}^{k}\right)$, and the $\pi$ in “$\pi\left(g\right)$” is the map $\pi:\mathbb{K}^{\widehat{P}}\dashrightarrow\overline{\mathbb{K}^{\widehat{P}}}$). Now, we claim that every $\widetilde{p}\in\mathbb{P}\left(\mathbb{K}^{k}\right)$ and $\widetilde{g}\in\overline{\mathbb{K}^{\widehat{P}}}$ satisfy $\left(\overline{R_{i}}\right)_{B_{k}P}\left(\widetilde{p}\rightthreetimes\widetilde{g}\right)=\widetilde{p}\rightthreetimes\overline{R_{i-1}}_{P}\left(\widetilde{g}\right)\ \ \ \ \ \ \ \ \ \ \text{for all }i\in\left\\{2,3,...,n+1\right\\}$ (25) and $\left(\overline{R_{1}}\right)_{B_{k}P}\left(\widetilde{p}\rightthreetimes\widetilde{g}\right)=\widetilde{p}^{-1}\rightthreetimes\widetilde{g}.$ (26) Proof of (25) and (26): In order to prove (25), it is clearly enough to show that every $p\in\mathbb{K}^{k}$ and $g\in\mathbb{K}^{\widehat{P}}$ satisfy $\left(R_{i}\right)_{B_{k}P}\left(p\rightthreetimes g\right)\sim p\rightthreetimes\left(R_{i-1}\right)_{P}\left(g\right)\ \ \ \ \ \ \ \ \ \ \text{for all }i\in\left\\{2,3,...,n+1\right\\},$ (27) where the sign $\sim$ stands for homogeneous equivalence. It is easy to prove the relation (27) for $i>2$ (because if $i>2$, then the elements of $\widehat{B_{k}P}$ having degrees $i-1$, $i$ and $i+1$ are precisely the elements of $\widehat{P}$ having degrees $i-2$, $i-1$ and $i$, and therefore toggling the elements of $\widehat{B_{k}P}_{i}$ in $p\rightthreetimes g$ has precisely the same effect as toggling the elements of $\widehat{P}_{i-1}$ in $g$ while leaving $p$ fixed, so that we even get the stronger assertion that $\left(R_{i}\right)_{B_{k}P}\left(p\rightthreetimes g\right)=p\rightthreetimes\left(R_{i-1}\right)_{P}\left(g\right)$). It is not much harder to check that it also holds for $i=2$ (indeed, for $i=2$, the only difference between toggling the elements of $\widehat{B_{k}P}_{i}$ in $p\rightthreetimes g$ and toggling the elements of $\widehat{P}_{i-1}$ in $g$ while leaving $p$ fixed is a scalar factor which is identical across all elements being toggled in either poset252525because every $u\in\widehat{B_{k}P}_{1}$ and every $v\in\widehat{B_{k}P}_{2}$ satisfy $u\lessdot v$; therefore the results are the same up to homogeneous equivalence). Finally, (26) is trivial to check (e.g., using Corollary 6.14). But recall that $\overline{R}=\overline{R_{1}}\circ\overline{R_{2}}\circ...\circ\overline{R_{n}}$ for any $n$-graded poset. Hence, $\overline{R}_{B_{k}P}=\left(\overline{R_{1}}\right)_{B_{k}P}\circ\left(\overline{R_{2}}\right)_{B_{k}P}\circ\left(\overline{R_{3}}\right)_{B_{k}P}\circ...\circ\left(\overline{R_{n+1}}\right)_{B_{k}P}$ (because $B_{k}P$ is an $\left(n+1\right)$-graded poset) and $\overline{R}_{P}=\overline{R_{1}}_{P}\circ\overline{R_{2}}_{P}\circ...\circ\overline{R_{n}}_{P}$ (because $P$ is an $n$-graded poset). Because of these equalities, and because of (25) and (26), it is now easy to see that every $\widetilde{p}\in\mathbb{P}\left(\mathbb{K}^{k}\right)$ and $\widetilde{g}\in\overline{\mathbb{K}^{\widehat{P}}}$ satisfy $\overline{R}_{B_{k}P}\left(\widetilde{p}\rightthreetimes\widetilde{g}\right)=\widetilde{p}^{-1}\rightthreetimes\overline{R}_{P}\left(\widetilde{g}\right).$ (28) Furthermore, every $\widetilde{p}\in\mathbb{P}\left(\mathbb{K}^{k}\right)$ and $\widetilde{g}\in\overline{\mathbb{K}^{\widehat{P}}}$ satisfy $\overline{R}_{B_{k}P}^{\ell}\left(\widetilde{p}\rightthreetimes\widetilde{g}\right)=\widetilde{p}^{\left(-1\right)^{\ell}}\rightthreetimes\overline{R}_{P}^{\ell}\left(\widetilde{g}\right)\ \ \ \ \ \ \ \ \ \ \text{for all }\ell\in\mathbb{N}.$ (29) (This is proven by induction over $\ell$, using (28).) We know that the elements of $\overline{\mathbb{K}^{\widehat{B_{k}P}}}$ have the form $\widetilde{p}\rightthreetimes\widetilde{g}$, where $\widetilde{p}\in\mathbb{P}\left(\mathbb{K}^{k}\right)$ and $\widetilde{g}\in\overline{\mathbb{K}^{\widehat{P}}}$. Conversely, every element $\widetilde{p}\rightthreetimes\widetilde{g}$ with $\widetilde{p}\in\mathbb{P}\left(\mathbb{K}^{k}\right)$ and $\widetilde{g}\in\overline{\mathbb{K}^{\widehat{P}}}$ lies in $\overline{\mathbb{K}^{\widehat{B_{k}P}}}$. Hence, for every $\ell\in\mathbb{N}$, we have the following equivalence of assertions: $\displaystyle\ \left(\text{we have }\overline{R}_{B_{k}P}^{\ell}=\operatorname*{id}\right)$ $\displaystyle\Longleftrightarrow\ \left(\text{every }\widetilde{p}\in\mathbb{P}\left(\mathbb{K}^{k}\right)\text{ and }\widetilde{g}\in\overline{\mathbb{K}^{\widehat{P}}}\text{ satisfy }\overline{R}_{B_{k}P}^{\ell}\left(\widetilde{p}\rightthreetimes\widetilde{g}\right)=\widetilde{p}\rightthreetimes\widetilde{g}\right)$ $\displaystyle\Longleftrightarrow\ \left(\text{every }\widetilde{p}\in\mathbb{P}\left(\mathbb{K}^{k}\right)\text{ and }\widetilde{g}\in\overline{\mathbb{K}^{\widehat{P}}}\text{ satisfy }\widetilde{p}^{\left(-1\right)^{\ell}}\rightthreetimes\overline{R}_{P}^{\ell}\left(\widetilde{g}\right)=\widetilde{p}\rightthreetimes\widetilde{g}\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{because of (\ref{pf.Bk.ord.Rl})}\right)$ $\displaystyle\Longleftrightarrow\ \left(\text{every }\widetilde{p}\in\mathbb{P}\left(\mathbb{K}^{k}\right)\text{ and }\widetilde{g}\in\overline{\mathbb{K}^{\widehat{P}}}\text{ satisfy }\widetilde{p}^{\left(-1\right)^{\ell}}=\widetilde{p}\text{ and }\overline{R}_{P}^{\ell}\left(\widetilde{g}\right)=\widetilde{g}\right)$ $\displaystyle\Longleftrightarrow\ \left(\underbrace{\text{every }\widetilde{p}\in\mathbb{P}\left(\mathbb{K}^{k}\right)\text{ satisfies }\widetilde{p}^{\left(-1\right)^{\ell}}=\widetilde{p}}_{\text{this is equivalent to }\left(2\mid\ell\text{ if }k>1\right)}\text{, and }\underbrace{\text{every }\widetilde{g}\in\overline{\mathbb{K}^{\widehat{P}}}\text{ satisfies }\overline{R}_{P}^{\ell}\left(\widetilde{g}\right)=\widetilde{g}}_{\text{this is equivalent to }\overline{R}_{P}^{\ell}=\operatorname*{id}}\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{since the sets }\mathbb{P}\left(\mathbb{K}^{k}\right)\text{ and }\overline{\mathbb{K}^{\widehat{P}}}\text{ are nonempty}\right)$ $\displaystyle\Longleftrightarrow\ \left(\text{we have }\left(2\mid\ell\text{ if }k>1\right)\text{ and }\underbrace{\overline{R}_{P}^{\ell}=\operatorname*{id}}_{\text{this is equivalent to }\operatorname*{ord}\left(\overline{R}_{P}\right)\mid\ell}\right)$ $\displaystyle\Longleftrightarrow\ \left(\text{we have }\left(2\mid\ell\text{ if }k>1\right)\text{ and }\operatorname*{ord}\left(\overline{R}_{P}\right)\mid\ell\right)$ $\displaystyle\Longleftrightarrow\ \left\\{\begin{array}[c]{c}\left(\text{we have }2\mid\ell\text{ and }\operatorname*{ord}\left(\overline{R}_{P}\right)\mid\ell\right),\ \ \ \ \ \ \ \ \ \ \text{if }k>1;\\\ \left(\text{we have }\operatorname*{ord}\left(\overline{R}_{P}\right)\mid\ell\right),\ \ \ \ \ \ \ \ \ \ \text{if }k=1\end{array}\right.$ $\displaystyle\Longleftrightarrow\ \left\\{\begin{array}[c]{c}\left(\text{we have }\operatorname{lcm}\left(2,\operatorname*{ord}\left(\overline{R}_{P}\right)\right)\mid\ell\right),\ \ \ \ \ \ \ \ \ \ \text{if }k>1;\\\ \left(\text{we have }\operatorname*{ord}\left(\overline{R}_{P}\right)\mid\ell\right),\ \ \ \ \ \ \ \ \ \ \text{if }k=1\end{array}\right.$ $\displaystyle\Longleftrightarrow\ \left(\text{we have }\left\\{\begin{array}[c]{l}\operatorname{lcm}\left(2,\operatorname*{ord}\left(\overline{R}_{P}\right)\right),\ \ \ \ \ \ \ \ \ \ \text{if }k>1;\\\ \operatorname*{ord}\left(\overline{R}_{P}\right),\ \ \ \ \ \ \ \ \ \ \text{if }k=1\end{array}\right.\mid\ell\right).$ Hence, for every $\ell\in\mathbb{N}$, we have the following equivalence of assertions: $\displaystyle\left(\text{we have }\operatorname*{ord}\left(\overline{R}_{B_{k}P}\right)\mid\ell\right)\ $ $\displaystyle\Longleftrightarrow\ \left(\text{we have }\overline{R}_{B_{k}P}^{\ell}=\operatorname*{id}\right)$ $\displaystyle\Longleftrightarrow\ \left(\text{we have }\left\\{\begin{array}[c]{l}\operatorname{lcm}\left(2,\operatorname*{ord}\left(\overline{R}_{P}\right)\right),\ \ \ \ \ \ \ \ \ \ \text{if }k>1;\\\ \operatorname*{ord}\left(\overline{R}_{P}\right),\ \ \ \ \ \ \ \ \ \ \text{if }k=1\end{array}\right.\mid\ell\right).$ Consequently, $\operatorname*{ord}\left(\overline{R}_{B_{k}P}\right)=\left\\{\begin{array}[c]{l}\operatorname{lcm}\left(2,\operatorname*{ord}\left(\overline{R}_{P}\right)\right),\ \ \ \ \ \ \ \ \ \ \text{if }k>1;\\\ \operatorname*{ord}\left(\overline{R}_{P}\right),\ \ \ \ \ \ \ \ \ \ \text{if }k=1\end{array}\right.$. This is exactly what (22) claims. Thus, (22) is proven, and with it Proposition 9.10. ∎ Here is an analogue of Proposition 9.10: ###### Proposition 9.11. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $\mathbb{K}$ be a field. (a) We have $\operatorname*{ord}\left(\overline{R}_{B_{1}^{\prime}P}\right)=\operatorname*{ord}\left(\overline{R}_{P}\right)$. (b) For every integer $k>1$, we have $\operatorname*{ord}\left(\overline{R}_{B_{k}^{\prime}P}\right)=\operatorname{lcm}\left(2,\operatorname*{ord}\left(\overline{R}_{P}\right)\right)$. ###### . The proof of this is very similar (though not exactly identical) to that of Proposition 9.10. Alternatively, it is easy to deduce Proposition 9.11 from Proposition 9.10 using Proposition 8.4 and Proposition 9.4. ∎ Proposition 9.7 is easily shown by induction using Propositions 9.8, 9.10, 9.11 and 7.3. Moreover, using Propositions 9.8, 9.9, 9.10, 9.11 and 7.3, we can recursively compute (rather than just bound from the above) the orders of $R_{P}$ and $\overline{R}_{P}$ for any skeletal poset $P$ without doing any computations in $\mathbb{K}$. (This also shows that the orders of $R_{P}$ and $\overline{R}_{P}$ don’t depend on the base field $\mathbb{K}$ as long as $\mathbb{K}$ is infinite and $P$ is skeletal.) In the case of forests and trees we can also use this induction to establish a concrete bound: ###### Corollary 9.12. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $\mathbb{K}$ be a field. Assume that $P$ is a rooted forest (made into a poset by having every node smaller than its children). (a) Then, $\operatorname*{ord}\left(R_{P}\right)\mid\operatorname{lcm}\left(1,2,...,n+1\right)$. (b) Moreover, if $P$ is a tree, then $\operatorname*{ord}\left(\overline{R}_{P}\right)\mid\operatorname{lcm}\left(1,2,...,n\right)$. Corollary 9.12 is also valid if we replace “every node smaller than its children” by “every node larger than its children”, and the proof is exactly analogous. ###### Proof of Corollary 9.12 (sketched).. (a) Corollary 9.12 (a) can be proven by strong induction over $\left|P\right|$. Indeed, if $P$ is an $n$-graded poset and a rooted forest, then we must be in one of the following three cases: Case 1: We have $P=\varnothing$. Case 2: The rooted forest $P$ is a tree. Case 3: The rooted forest $P$ is a disjoint union of more than one tree. The validity of Corollary 9.12 is trivial in Case 1, and in Case 3 it follows from the induction hypothesis using Proposition 9.8. In Case 2, we have $P=B_{1}Q$ for some rooted forest $Q$, which is necessarily $\left(n-1\right)$-graded; thus, the induction hypothesis (applied to $Q$ instead of $P$) yields $\operatorname*{ord}\left(R_{Q}\right)\mid\operatorname{lcm}\left(1,2,...,\left(n-1\right)+1\right)=\operatorname{lcm}\left(1,2,...,n\right)$, and we obtain $\displaystyle\operatorname*{ord}\left(\overline{R}_{P}\right)$ $\displaystyle=\operatorname*{ord}\left(\overline{R}_{B_{1}Q}\right)=\operatorname*{ord}\left(\overline{R}_{Q}\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by Proposition \ref{prop.Bk.ord} {(a)}}\right)$ $\displaystyle\mid\operatorname{lcm}\left(1,2,...,n\right)$ and $\displaystyle\operatorname*{ord}\left(R_{P}\right)$ $\displaystyle=\operatorname{lcm}\left(n+1,\underbrace{\operatorname*{ord}\left(\overline{R}_{P}\right)}_{\mid\operatorname{lcm}\left(1,2,...,n\right)}\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by Proposition \ref{prop.ord-projord}}\right)$ $\displaystyle\mid\operatorname{lcm}\left(n+1,\operatorname{lcm}\left(1,2,...,n\right)\right)=\operatorname{lcm}\left(1,2,...,n+1\right).$ Thus, the induction step is complete in each of the three Cases. (b) If $P$ is a tree, then we must be in Case 2 of the above case distinction, and thus we have $\operatorname*{ord}\left(\overline{R}_{P}\right)\mid\operatorname{lcm}\left(1,2,...,n\right)$ as shown above. Corollary 9.12 is therefore proven. ∎ ## 10 Interlude: Classical rowmotion on skeletal posets The above results concerning birational rowmotion on skeletal posets suggest the question of what can be said about classical rowmotion (on the set of order ideals) on this class of posets. Indeed, while the classical rowmotion map (as opposed to the birational one) has been the object of several studies (e.g., [StWi11] and [CaFl95]), it seems that this rather simple case has never been explicitly covered. Let us therefore go on a tangent to bridge this gap and derive the counterparts of Propositions 9.10 and 9.7 and Corollary 9.12 for classical rowmotion. Nothing of what we do in this Section 10 will be relevant to later sections, so this section can be skipped. First, we define the maps involved. ###### Definition 10.1. Let $P$ be a poset. (a) An order ideal of $P$ means a subset $S$ of $P$ such that every $s\in S$ and $p\in P$ with $p\leqslant s$ satisfy $p\in S$. (b) The set of all order ideals of $P$ will be denoted by $J\left(P\right)$. Here is the definition of (classical) toggles on order ideals (an analogue of Definition 2.6): ###### Definition 10.2. Let $P$ be a finite poset. Let $v\in P$. Define a map $\mathbf{t}_{v}:J\left(P\right)\rightarrow J\left(P\right)$ by $\mathbf{t}_{v}\left(S\right)=\left\\{\begin{array}[c]{l}S\cup\left\\{v\right\\}\text{, if }v\notin S\text{ and }S\cup\left\\{v\right\\}\in J\left(P\right);\\\ S\setminus\left\\{v\right\\}\text{, if }v\in S\text{ and }S\setminus\left\\{v\right\\}\in J\left(P\right);\\\ S\text{, otherwise}\end{array}\right.\ \ \ \ \ \ \ \ \ \ \text{for every }S\in J\left(P\right).$ (This is clearly well-defined.) This map $\mathbf{t}_{v}$ will be called the classical $v$-toggle. We can rewrite this definition in more “local” terms, by replacing the conditions “$S\cup\left\\{v\right\\}\in J\left(P\right)$” and “$S\setminus\left\\{v\right\\}\in J\left(P\right)$” by the respectively equivalent conditions “every element $u\in P$ satisfying $u\lessdot v$ lies in $S$” and “no element $u\in P$ satisfying $u\gtrdot v$ lies in $S$” (in fact, the equivalence of these conditions is easily seen). Hence, we obtain the following analogue to Proposition 2.9: ###### Proposition 10.3. Let $P$ be a finite poset. Let $v\in P$. For every $S\in J\left(P\right)$, we have: (a) If $w$ is an element of $P$ such that $w\neq v$, then we have $w\in\mathbf{t}_{v}\left(S\right)$ if and only if $w\in S$. (b) We have $v\in\mathbf{t}_{v}\left(S\right)$ if and only if $\displaystyle\left(v\in S\text{ and not }\left(\text{no element }u\in P\text{ satisfying }u\gtrdot v\text{ lies in }S\right)\right)$ $\displaystyle\text{or }\left(v\notin S\text{ and }\left(\text{every element }u\in P\text{ satisfying }u\lessdot v\text{ lies in }S\right)\right).$ While the complicated logical statement in Proposition 10.3 (b) can be simplified, the form we have stated it in exhibits its similarity to Proposition 2.9 particularly well. This, in fact, is more than a similarity: If we allow $\mathbb{K}$ to be a semifield rather than a field, we can regard the classical $v$-toggle $\mathbf{t}_{v}$ as a restriction of the birational toggle $T_{v}$ (when $\mathbb{K}$ is chosen appropriately)262626Here are the details: Let $\operatorname*{Trop}\mathbb{Z}$ be the tropical semiring over $\mathbb{Z}$, that is, the semiring obtained by endowing the set $\mathbb{Z}\cup\left\\{-\infty\right\\}$ with the binary operation $\left(a,b\right)\mapsto\max\left\\{a,b\right\\}$ as “addition” and the binary operation $\left(a,b\right)\mapsto a+b$ as “multiplication” (where the usual rules for sums involving $-\infty$ apply). Then, $\operatorname*{Trop}\mathbb{Z}$ is a semifield, with $\left(a,b\right)\mapsto a-b$ serving as “subtraction”, with $-\infty$ serving as “zero” and with the integer $0$ serving as “one”. Now, to every order ideal $S\in J\left(P\right)$, we can assign a $\left(\operatorname*{Trop}\mathbb{Z}\right)$-labelling $\operatorname*{tlab}S\in\left(\operatorname*{Trop}\mathbb{Z}\right)^{\widehat{P}}$, defined by $\left(\operatorname*{tlab}S\right)\left(v\right)=\left\\{\begin{array}[c]{c}1,\text{ if }v\notin S\cup\left\\{0\right\\};\\\ 0,\ \text{if }v\in S\cup\left\\{0\right\\}\end{array}\right..$ This yields a map $\operatorname*{tlab}:J\left(P\right)\rightarrow\left(\operatorname*{Trop}\mathbb{Z}\right)^{\widehat{P}}$, obviously injective. This map $\operatorname*{tlab}$ satisfies $T_{v}\circ\operatorname*{tlab}=\operatorname*{tlab}\circ\mathbf{t}_{v}$ for every $v\in P$. This allows us to regard the classical toggles $\mathbf{t}_{v}$ as restrictions of the birational toggles $T_{v}$, if we consider this map $\operatorname*{tlab}$ as an inclusion. This reasoning goes back to Einstein and Propp [EiPr13].. Hence, some theorems about birational toggles can be used to derive analogous theorems about classical toggles272727For example, we could derive Proposition 10.5 from Proposition 2.10 using this tactic. However, we could not derive (say) Proposition 10.27 from Proposition 9.7 this way, because the order of a restriction of a permutation could be a proper divisor of the order of the permutation.. We will not use this tactic in the following, because often it will be easier to study the classical $v$-toggles on their own. However, many of the properties of classical toggles (and classical rowmotion) that we are going to discuss will have proofs that are parallel to the proofs of the analogous results about birational toggles. We will omit these proofs when the analogy is glaring enough. We have the following easily-verified analogues of Proposition 2.7, Proposition 2.10 and Corollary 2.12: ###### Proposition 10.4. Let $P$ be a finite poset. Let $v\in P$. Then, the map $\mathbf{t}_{v}$ is an involution on $J\left(P\right)$ (that is, we have $\mathbf{t}_{v}^{2}=\operatorname*{id}$). ###### Proposition 10.5. Let $P$ be a finite poset. Let $v\in P$ and $w\in P$. Then, $\mathbf{t}_{v}\circ\mathbf{t}_{w}=\mathbf{t}_{w}\circ\mathbf{t}_{v}$, unless we have either $v\lessdot w$ or $w\lessdot v$. ###### Corollary 10.6. Let $P$ be a finite poset. Let $\left(v_{1},v_{2},...,v_{m}\right)$ be a linear extension of $P$. Then, the map $\mathbf{t}_{v_{1}}\circ\mathbf{t}_{v_{2}}\circ...\circ\mathbf{t}_{v_{m}}:J\left(P\right)\rightarrow J\left(P\right)$ is well-defined and independent of the choice of the linear extension $\left(v_{1},v_{2},...,v_{m}\right)$. The three results above are observations made on [CaFl95, page 546] (in somewhat different notation). Two convenient advantages of the classical setup are that we don’t have to worry about denominators becoming zero, so our maps are actual maps rather than partial maps, and that we don’t have to pass to the poset $\widehat{P}$. We can now define rowmotion in analogy to Definition 2.13: ###### Definition 10.7. Let $P$ be a finite poset. Classical rowmotion (simply called “rowmotion” in existing literature) is defined as the map $\mathbf{t}_{v_{1}}\circ\mathbf{t}_{v_{2}}\circ...\circ\mathbf{t}_{v_{m}}:J\left(P\right)\rightarrow J\left(P\right)$, where $\left(v_{1},v_{2},...,v_{m}\right)$ is a linear extension of $P$. This map is well-defined (in particular, it does not depend on the linear extension $\left(v_{1},v_{2},...,v_{m}\right)$ chosen) because of Corollary 10.6 (and also because of the fact that a linear extension of $P$ exists; this is Theorem 1.4). This map will be denoted by $\mathbf{r}$. To highlight the similarities between the classical and birational cases, let us state the analogue of Proposition 2.16: ###### Proposition 10.8. Let $P$ be a finite poset. Let $v\in P$. Let $S\in J\left(P\right)$. Then, $v\in\mathbf{r}\left(S\right)$ holds if and only if the following two conditions hold: Condition 1: Every $u\in P$ satisfying $u\lessdot v$ belongs to $S$. Condition 2: Either $v\notin S$, or there exists an $u\in\mathbf{r}\left(S\right)$ satisfying $u\gtrdot v$. (Recall that the expression “either/or” is meant non-exclusively.) This proposition is easily seen to be equivalent to the following well-known equivalent description of rowmotion ([CaFl95, Lemma 1], translated into our notation): ###### Proposition 10.9. Let $P$ be a finite poset. Let $S\in J\left(P\right)$. Then, the maximal elements of $\mathbf{r}\left(S\right)$ are precisely the minimal elements of $P\setminus S$. We record the analogue of Proposition 2.19: ###### Proposition 10.10. Let $P$ be a finite poset. Let $S$ and $T$ be two order ideals of $P$. Assume that for every $v\in P$, the relation $v\in T$ holds if and only if Conditions 1 and 2 of Proposition 10.8 hold with $\mathbf{r}\left(S\right)$ replaced by $T$. Then, $T=\mathbf{r}\left(S\right)$. In analogy to Proposition 2.20, we have: ###### Proposition 10.11. Let $P$ be a finite poset. Then, classical rowmotion $\mathbf{r}$ is invertible. Its inverse $\mathbf{r}^{-1}$ is $\mathbf{t}_{v_{m}}\circ\mathbf{t}_{v_{m-1}}\circ...\circ\mathbf{t}_{v_{1}}:J\left(P\right)\rightarrow J\left(P\right)$, where $\left(v_{1},v_{2},...,v_{m}\right)$ is a linear extension of $P$. We can study graded posets again. In analogy to Corollary 3.6, Definition 3.7, Proposition 3.8 and Proposition 3.9, we have: ###### Corollary 10.12. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $i\in\left\\{1,2,...,n\right\\}$. Let $\left(u_{1},u_{2},...,u_{k}\right)$ be any list of the elements of $\widehat{P}_{i}$ with every element of $\widehat{P}_{i}$ appearing exactly once in the list. (Note that $\widehat{P}_{i}$ is simply $\left\\{v\in P\ \mid\ \deg v=i\right\\}$, because $i$ equals neither $0$ nor $n+1$. We are using the notation $\widehat{P}_{i}$ despite not working with $\widehat{P}$ merely to stress some analogies.) Then, the map $\mathbf{t}_{u_{1}}\circ\mathbf{t}_{u_{2}}\circ...\circ\mathbf{t}_{u_{k}}:J\left(P\right)\rightarrow J\left(P\right)$ is well-defined and independent of the choice of the list $\left(u_{1},u_{2},...,u_{k}\right)$. ###### Definition 10.13. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $i\in\left\\{1,2,...,n\right\\}$. Then, let $\mathbf{r}_{i}$ denote the map $\mathbf{t}_{u_{1}}\circ\mathbf{t}_{u_{2}}\circ...\circ\mathbf{t}_{u_{k}}:J\left(P\right)\rightarrow J\left(P\right)$, where $\left(u_{1},u_{2},...,u_{k}\right)$ is any list of the elements of $\widehat{P}_{i}$ with every element of $\widehat{P}_{i}$ appearing exactly once in the list. This map $\mathbf{t}_{u_{1}}\circ\mathbf{t}_{u_{2}}\circ...\circ\mathbf{t}_{u_{k}}$ is well-defined (in particular, it does not depend on the list $\left(u_{1},u_{2},...,u_{k}\right)$) because of Corollary 10.12. ###### Proposition 10.14. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Then, $\mathbf{r}=\mathbf{r}_{1}\circ\mathbf{r}_{2}\circ...\circ\mathbf{r}_{n}.$ ###### Proposition 10.15. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $i\in\left\\{1,2,...,n\right\\}$. Then, $\mathbf{r}_{i}$ is an involution on $J\left(P\right)$ (that is, $\mathbf{r}_{i}^{2}=\operatorname*{id}$). A parody of w-tuples can also be defined. The following is analogous to Definition 4.1: ###### Definition 10.16. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $S\in J\left(P\right)$. Let $i\in\left\\{0,1,...,n\right\\}$. Then, $\mathbf{w}_{i}\left(S\right)$ will denote the integer $\left\\{\begin{array}[c]{l}1,\text{ if }P_{i}\subseteq S\text{ and }P_{i+1}\cap S=\varnothing\\\ 0,\text{ otherwise}\end{array}\right..$ Here, we are using the notation $P_{j}$ for the subset $\deg^{-1}\left(\left\\{j\right\\}\right)$ of $P$; this subset is empty if $j=0$ and also empty if $j=n+1$. Analogues of Proposition 4.3 and Proposition 4.4 are easily found: ###### Proposition 10.17. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $i\in\left\\{1,2,...,n\right\\}$. Then, every $S\in J\left(P\right)$ satisfies $\displaystyle\left(\mathbf{w}_{0}\left(\mathbf{r}_{i}\left(S\right)\right),\mathbf{w}_{1}\left(\mathbf{r}_{i}\left(S\right)\right),...,\mathbf{w}_{n}\left(\mathbf{r}_{i}\left(S\right)\right)\right)$ $\displaystyle=\left(\mathbf{w}_{0}\left(S\right),\mathbf{w}_{1}\left(S\right),...,\mathbf{w}_{i-2}\left(S\right),\mathbf{w}_{i}\left(S\right),\mathbf{w}_{i-1}\left(S\right),\mathbf{w}_{i+1}\left(S\right),\mathbf{w}_{i+2}\left(S\right),...,\mathbf{w}_{n}\left(S\right)\right).$ ###### Proposition 10.18. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Then, every $S\in J\left(P\right)$ satisfies $\left(\mathbf{w}_{0}\left(\mathbf{r}\left(S\right)\right),\mathbf{w}_{1}\left(\mathbf{r}\left(S\right)\right),...,\mathbf{w}_{n}\left(\mathbf{r}\left(S\right)\right)\right)=\left(\mathbf{w}_{n}\left(S\right),\mathbf{w}_{0}\left(S\right),\mathbf{w}_{1}\left(S\right),...,\mathbf{w}_{n-1}\left(S\right)\right).$ However, the $\left(n+1\right)$-tuple $\left(\mathbf{w}_{0}\left(S\right),\mathbf{w}_{1}\left(S\right),...,\mathbf{w}_{n}\left(S\right)\right)$ obtained from an order ideal $S$ is not particularly informative. In fact, it is $\left(0,0,...,0\right)$ for “most” order ideals; here is what this means precisely: ###### Definition 10.19. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. An order ideal of $P$ is said to be level if and only if it has the form $P_{1}\cup P_{2}\cup...\cup P_{i}$ for some $i\in\left\\{0,1,...,n\right\\}$. Easy properties of level order ideals are: ###### Proposition 10.20. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. (a) There exist precisely $n+1$ level order ideals of $P$, and those form an orbit under classical rowmotion $\mathbf{r}$. Namely, one has $\mathbf{r}\left(P_{1}\cup P_{2}\cup...\cup P_{i}\right)=\left\\{\begin{array}[c]{l}P_{1}\cup P_{2}\cup...\cup P_{i+1},\ \ \ \ \ \ \ \ \ \ \text{if }i<n;\\\ \varnothing,\ \ \ \ \ \ \ \ \ \ \text{if }i=n\end{array}\right..$ (b) If $S\in J\left(P\right)$, then $\left(\mathbf{w}_{0}\left(S\right),\mathbf{w}_{1}\left(S\right),...,\mathbf{w}_{n}\left(S\right)\right)=\left(0,0,...,0\right)$ unless $S$ is level. Now, we can define an (arguably toylike, but, as we will see, rather useful) analogue of homogeneous equivalence. In somewhat questionable analogy with Definition 6.2, we set: ###### Definition 10.21. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Two order ideals $S$ and $T$ of $P$ are said to be homogeneously equivalent if and only if either both $S$ and $T$ are level or we have $S=T$. Clearly, being homogeneously equivalent is an equivalence relation. Let $\overline{J\left(P\right)}$ denote the set of equivalence classes of elements of $J\left(P\right)$ modulo this relation. Let $\pi$ denote the canonical projection $J\left(P\right)\rightarrow\overline{J\left(P\right)}$. (We distinguish this map $\pi$ from the map $\pi$ defined in Definition 6.2 by the fact that they act on different objects.) The following analogue of Corollary 6.7 is almost trivial: ###### Corollary 10.22. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. If $S$ and $T$ are two homogeneously equivalent order ideals of $P$, then $\mathbf{r}\left(S\right)$ is homogeneously equivalent to $\mathbf{r}\left(T\right)$. (An analogue of Corollary 6.6 exists as well.) We also have the following analogue of Proposition 6.11: ###### Proposition 10.23. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $S$ and $T$ be two order ideals of $P$ such that $\left(\mathbf{w}_{0}\left(S\right),\mathbf{w}_{1}\left(S\right),...,\mathbf{w}_{n}\left(S\right)\right)=\left(\mathbf{w}_{0}\left(T\right),\mathbf{w}_{1}\left(T\right),...,\mathbf{w}_{n}\left(T\right)\right)$. Also assume that $\pi\left(S\right)=\pi\left(T\right)$. Then, $S=T$. We can furthermore state analogues of Definitions 6.9 and 6.10: ###### Definition 10.24. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Let $i\in\left\\{1,2,...,n\right\\}$. The map $\mathbf{r}_{i}:J\left(P\right)\rightarrow J\left(P\right)$ descends (through the projection $\pi:J\left(P\right)\rightarrow\overline{J\left(P\right)}$) to a map $\overline{J\left(P\right)}\rightarrow\overline{J\left(P\right)}$. We denote this map $\overline{J\left(P\right)}\rightarrow\overline{J\left(P\right)}$ by $\overline{\mathbf{r}_{i}}$. Thus, the diagram $\textstyle{J\left(P\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\mathbf{r}_{i}}$$\scriptstyle{\pi}$$\textstyle{J\left(P\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\pi}$$\textstyle{\overline{J\left(P\right)}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\overline{\mathbf{r}_{i}}}$$\textstyle{\overline{J\left(P\right)}}$ is commutative. ###### Definition 10.25. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. We define the map $\overline{\mathbf{r}}:\overline{J\left(P\right)}\rightarrow\overline{J\left(P\right)}$ by $\overline{\mathbf{r}}=\overline{\mathbf{r}_{1}}\circ\overline{\mathbf{r}_{2}}\circ...\circ\overline{\mathbf{r}_{n}}.$ Then, the diagram $\textstyle{J\left(P\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\mathbf{r}}$$\scriptstyle{\pi}$$\textstyle{J\left(P\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\pi}$$\textstyle{\overline{J\left(P\right)}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\overline{\mathbf{r}}}$$\textstyle{\overline{J\left(P\right)}}$ (30) is commutative. In other words, $\overline{\mathbf{r}}$ is the map $\overline{J\left(P\right)}\rightarrow\overline{J\left(P\right)}$ to which the map $\mathbf{r}:J\left(P\right)\rightarrow J\left(P\right)$ descends (through the projection $\pi:J\left(P\right)\rightarrow\overline{J\left(P\right)}$). It might seem that the map $\overline{\mathbf{r}}$ is not worth considering, since its cycle structure differs from the cycle structure of $\mathbf{r}$ only in the collapsing of an $\left(n+1\right)$-cycle (the one formed by all level order ideals) to a point. However, triviality in combinatorics does not preclude usefulness, and we will employ the “projective” version $\overline{\mathbf{r}}$ of classical rowmotion as a stirrup in determining the order of classical rowmotion $\mathbf{r}$ on skeletal posets. We have the following simple relation between the orders of $\mathbf{r}$ and $\overline{\mathbf{r}}$: ###### Proposition 10.26. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Then, $\operatorname*{ord}\mathbf{r}=\operatorname{lcm}\left(n+1,\operatorname*{ord}\overline{\mathbf{r}}\right)$. Notice that our convention to define $\operatorname{lcm}\left(n+1,\infty\right)$ as $\infty$ is irrelevant for Proposition 10.26: In fact, in the situation of Proposition 10.26, both $\operatorname*{ord}\mathbf{r}$ and $\operatorname*{ord}\overline{\mathbf{r}}$ are clearly (finite) positive integers282828Indeed, the maps $\mathbf{r}$ and $\overline{\mathbf{r}}$ are permutations of finite sets (namely, of the sets $J\left(P\right)$ and $\overline{J\left(P\right)}$) and thus have finite orders.. ###### Proof of Proposition 10.26 (sketched).. We know that $\mathbf{r}$ is an invertible map $J\left(P\right)\rightarrow J\left(P\right)$, thus a permutation of the finite set $J\left(P\right)$. Hence, $\operatorname*{ord}\mathbf{r}$ is the $\operatorname{lcm}$ of the lengths of the cycles of this permutation $\mathbf{r}$. Similarly, $\operatorname*{ord}\overline{\mathbf{r}}$ is the $\operatorname{lcm}$ of the lengths of the cycles of the permutation $\overline{\mathbf{r}}$ of the finite set $\overline{J\left(P\right)}$. Let $Z_{1}$, $Z_{2}$, $...$, $Z_{k}$ be the cycles of the permutation $\mathbf{r}$ of $J\left(P\right)$. We assume WLOG that $Z_{1}$ is the cycle consisting of the $n+1$ level order ideals (because we know that they form a cycle). Thus, $\left|Z_{1}\right|=n+1$. Since $\operatorname*{ord}\mathbf{r}$ is the $\operatorname{lcm}$ of the lengths of the cycles of the permutation $\mathbf{r}$, we have $\operatorname*{ord}\mathbf{r}=\operatorname{lcm}\left(\left|Z_{1}\right|,\left|Z_{2}\right|,...,\left|Z_{k}\right|\right)$. Now, let us recall that $\overline{J\left(P\right)}$ is the quotient of $J\left(P\right)$ modulo homogeneous equivalence. But homogeneous equivalence merely identifies the $n+1$ level order ideals, while all other elements of $J\left(P\right)$ are still pairwise non-equivalent. Hence, the cycles of the permutation $\overline{\mathbf{r}}$ of $\overline{J\left(P\right)}$ are $\pi\left(Z_{1}\right)$, $\pi\left(Z_{2}\right)$, $...$, $\pi\left(Z_{k}\right)$, and while $\pi\left(Z_{2}\right)$, $\pi\left(Z_{3}\right)$, $...$, $\pi\left(Z_{k}\right)$ are isomorphic to $Z_{2}$, $Z_{3}$, $...$, $Z_{k}$, respectively, the first cycle $\pi\left(Z_{1}\right)$ (being the projection of the cycle of the level order ideals) now has length $1$. Now, $\operatorname*{ord}\overline{\mathbf{r}}$ is the $\operatorname{lcm}$ of the lengths of the cycles of the permutation $\overline{\mathbf{r}}$ of the finite set $\overline{J\left(P\right)}$. Since these cycles are $\pi\left(Z_{1}\right)$, $\pi\left(Z_{2}\right)$, $...$, $\pi\left(Z_{k}\right)$, this yields $\displaystyle\operatorname*{ord}\overline{\mathbf{r}}$ $\displaystyle=\operatorname{lcm}\left(\left|\pi\left(Z_{1}\right)\right|,\left|\pi\left(Z_{2}\right)\right|,...,\left|\pi\left(Z_{k}\right)\right|\right)=\operatorname{lcm}\left(\underbrace{\left|\pi\left(Z_{1}\right)\right|}_{=1},\left|\pi\left(Z_{2}\right)\right|,\left|\pi\left(Z_{3}\right)\right|,...,\left|\pi\left(Z_{k}\right)\right|\right)$ $\displaystyle=\operatorname{lcm}\left(1,\left|\pi\left(Z_{2}\right)\right|,\left|\pi\left(Z_{3}\right)\right|,...,\left|\pi\left(Z_{k}\right)\right|\right)=\operatorname{lcm}\left(\left|\pi\left(Z_{2}\right)\right|,\left|\pi\left(Z_{3}\right)\right|,...,\left|\pi\left(Z_{k}\right)\right|\right)$ $\displaystyle=\operatorname{lcm}\left(\left|Z_{2}\right|,\left|Z_{3}\right|,...,\left|Z_{k}\right|\right)\ \ \ \ \ \ \ \ \ \ \left(\begin{array}[c]{c}\text{since }\pi\left(Z_{2}\right)\text{, }\pi\left(Z_{3}\right)\text{, }...\text{, }\pi\left(Z_{k}\right)\text{ are}\\\ \text{isomorphic to }Z_{2}\text{, }Z_{3}\text{, }...\text{, }Z_{k}\text{, respectively}\end{array}\right).$ Now, $\displaystyle\operatorname*{ord}\mathbf{r}$ $\displaystyle=\operatorname{lcm}\left(\left|Z_{1}\right|,\left|Z_{2}\right|,...,\left|Z_{k}\right|\right)=\operatorname{lcm}\left(\underbrace{\left|Z_{1}\right|}_{=n+1},\underbrace{\operatorname{lcm}\left(\left|Z_{2}\right|,\left|Z_{3}\right|,...,\left|Z_{k}\right|\right)}_{=\operatorname*{ord}\overline{\mathbf{r}}}\right)$ $\displaystyle=\operatorname{lcm}\left(n+1,\operatorname*{ord}\overline{\mathbf{r}}\right).$ This proves Proposition 10.26. ∎ Our goal is to make a statement about the order of classical rowmotion on skeletal posets. Of course, the finiteness of these orders is obvious in this case, because $J\left(P\right)$ is a finite set. However, we can make stronger claims: ###### Proposition 10.27. Let $P$ be a skeletal poset. Let $\mathbb{K}$ be a field. Then, $\operatorname*{ord}\left(R_{P}\right)=\operatorname*{ord}\left(\mathbf{r}_{P}\right)$ and $\operatorname*{ord}\left(\overline{R}_{P}\right)=\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)$. Here, we are using the following convention: ###### Definition 10.28. Let $P$ be a finite poset. We denote the maps $\mathbf{r}$ and $\overline{\mathbf{r}}$ by $\mathbf{r}_{P}$ and $\overline{\mathbf{r}}_{P}$, respectively, so as to make their dependence on $P$ explicit. Proposition 10.27 yields (in particular) that the order of classical rowmotion coincides with the order of birational rowmotion (whatever the base field) for skeletal posets. This was conjectured by James Propp (private communication) for the case of $P$ a tree. We are going to prove Proposition 10.27 by exhibiting further analogies between classical and birational rowmotion. First of all, the following proposition is just as trivial as its birational counterpart (Proposition 9.8): ###### Proposition 10.29. Let $n\in\mathbb{N}$. Let $P$ and $Q$ be two $n$-graded posets. Then, $\operatorname*{ord}\left(\mathbf{r}_{PQ}\right)=\operatorname{lcm}\left(\operatorname*{ord}\left(\mathbf{r}_{P}\right),\operatorname*{ord}\left(\mathbf{r}_{Q}\right)\right)$. We can show a simple counterpart of this proposition for $\operatorname*{ord}\left(\overline{\mathbf{r}}_{PQ}\right)$ (but still with $\operatorname*{ord}\left(\mathbf{r}_{P}\right)$ and $\operatorname*{ord}\left(\mathbf{r}_{Q}\right)$ on the right hand side!): ###### Proposition 10.30. Let $n\in\mathbb{N}$. Let $P$ and $Q$ be two $n$-graded posets. Then, $\operatorname*{ord}\left(\overline{\mathbf{r}}_{PQ}\right)=\operatorname{lcm}\left(\operatorname*{ord}\left(\mathbf{r}_{P}\right),\operatorname*{ord}\left(\mathbf{r}_{Q}\right)\right)$. ###### Proof of Proposition 10.30 (sketched).. WLOG, assume that $n\neq 0$ (else, the statement is trivial). Hence, $P$ and $Q$ are nonempty. Consider the order ideal $P$ of $PQ$. Then, one can easily see (by induction) that every $i\in\left\\{0,1,...,n+1\right\\}$ satisfies $\displaystyle\mathbf{r}_{PQ}^{i}\left(P\right)$ $\displaystyle=\left(\left\\{\begin{array}[c]{l}P_{1}\cup P_{2}\cup...\cup P_{i-1},\ \ \ \ \ \ \ \ \ \ \text{if }i>0;\\\ P,\ \ \ \ \ \ \ \ \ \ \text{if }i=0\end{array}\right.\right)\cup\left(\left\\{\begin{array}[c]{l}Q_{1}\cup Q_{2}\cup...\cup Q_{i},\ \ \ \ \ \ \ \ \ \ \text{if }i\leqslant n;\\\ \varnothing,\ \ \ \ \ \ \ \ \ \ \text{if }i=n+1\end{array}\right.\right).$ From this, it follows that the smallest positive integer $k$ satisfying $\mathbf{r}_{PQ}^{k}\left(P\right)=P$ is $n+1$. Since $P$ is not level, this does not change under applying $\pi$; that is, the smallest positive integer $k$ satisfying $\overline{\mathbf{r}}_{PQ}^{k}\left(P\right)=P$ is still $n+1$. Hence, $n+1\mid\operatorname*{ord}\left(\overline{\mathbf{r}}_{PQ}\right)$. But Proposition 10.26 (applied to $PQ$ instead of $P$) yields $\operatorname*{ord}\left(\mathbf{r}_{PQ}\right)=\operatorname{lcm}\left(n+1,\operatorname*{ord}\left(\overline{\mathbf{r}}_{PQ}\right)\right)=\operatorname*{ord}\left(\overline{\mathbf{r}}_{PQ}\right)$ (since $n+1\mid\operatorname*{ord}\left(\overline{\mathbf{r}}_{PQ}\right)$), so that $\operatorname*{ord}\left(\overline{\mathbf{r}}_{PQ}\right)=\operatorname*{ord}\left(\mathbf{r}_{PQ}\right)=\operatorname{lcm}\left(\operatorname*{ord}\left(\mathbf{r}_{P}\right),\operatorname*{ord}\left(\mathbf{r}_{Q}\right)\right)$ (by Proposition 10.29). This proves Proposition 10.30. ∎ More interesting is the analogue of Proposition 9.10: ###### Proposition 10.31. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. (a) We have $\operatorname*{ord}\left(\overline{\mathbf{r}}_{B_{1}P}\right)=\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)$. (b) For every integer $k>1$, we have $\operatorname*{ord}\left(\overline{\mathbf{r}}_{B_{k}P}\right)=\operatorname{lcm}\left(2,\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)\right)$. ###### Proof of Proposition 10.31 (sketched).. We will be proving parts (a) and (b) together. Let $k$ be a positive integer (this has to be $1$ for proving part (a)). We need to prove that $\operatorname*{ord}\left(\overline{\mathbf{r}}_{B_{k}P}\right)=\left\\{\begin{array}[c]{l}\operatorname{lcm}\left(2,\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)\right),\ \ \ \ \ \ \ \ \ \ \text{if }k>1;\\\ \operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right),\ \ \ \ \ \ \ \ \ \ \text{if }k=1\end{array}\right..$ (31) Proving this clearly will prove both parts (a) and (b) of Proposition 10.31. Notice that $B_{k}P$ is an $\left(n+1\right)$-graded poset. For every $\ell\in\left\\{1,2,...,n+1\right\\}$, let $\left(B_{k}P\right)_{\ell}$ be the subset $\deg^{-1}\left(\left\\{\ell\right\\}\right)$ of $B_{k}P$. Thus, $\left(B_{k}P\right)_{\ell}=\left\\{v\in B_{k}P\ \mid\ \deg v=\ell\right\\}$. In particular, $\left(B_{k}P\right)_{1}$ is the set of all minimal elements of $B_{k}P$, so that $\left(B_{k}P\right)_{1}$ is an antichain of size $k$ (by the construction of $B_{k}P$). We also have $w<v$ for every $w\in\left(B_{k}P\right)_{1}$ and $v\in P$. For every finite poset $Q$, the map $\overline{\mathbf{r}}_{Q}$ is an invertible map $\overline{J\left(Q\right)}\rightarrow\overline{J\left(Q\right)}$, that is, a permutation of the finite set $\overline{J\left(Q\right)}$. Hence, the order $\operatorname*{ord}\left(\overline{\mathbf{r}}_{Q}\right)$ is the $\operatorname{lcm}$ of the lengths of the orbits of this map $\overline{\mathbf{r}}_{Q}$. We are going to compare the orbits of the maps $\overline{\mathbf{r}}_{B_{k}P}$ and $\overline{\mathbf{r}}_{P}$. Define a map $\phi:J\left(P\right)\rightarrow J\left(B_{k}P\right)$ by $\phi\left(S\right)=\left(B_{k}P\right)_{1}\cup S\ \ \ \ \ \ \ \ \ \ \text{for every }S\in J\left(P\right).$ It is easy to see that this map $\phi$ is well-defined (that is, $\left(B_{k}P\right)_{1}\cup S$ is an order ideal of $B_{k}P$ for every $S\in J\left(P\right)$), and that it sends level order ideals of $P$ to level order ideals of $B_{k}P$. Hence, it preserves homogeneous equivalence, so that it induces a map $\overline{J\left(P\right)}\rightarrow\overline{J\left(B_{k}P\right)}$. Denote this map $\overline{J\left(P\right)}\rightarrow\overline{J\left(B_{k}P\right)}$ by $\overline{\phi}$. Thus, $\overline{\phi}\circ\pi=\pi\circ\phi$. It is moreover easy to see that $\overline{\mathbf{r}}_{B_{k}P}\circ\overline{\phi}=\overline{\phi}\circ\overline{\mathbf{r}}_{P}$ 292929Proof. In order to prove this, it is enough to show that for every $S\in J\left(P\right)$, the order ideals $\left(\mathbf{r}_{B_{k}P}\circ\phi\right)\left(S\right)$ and $\left(\phi\circ\mathbf{r}_{P}\right)\left(S\right)$ are homogeneously equivalent. This is clear in the case when $S$ is level (because both $\left(\mathbf{r}_{B_{k}P}\circ\phi\right)\left(S\right)$ and $\left(\phi\circ\mathbf{r}_{P}\right)\left(S\right)$ are level in this case), so let us WLOG assume that $S$ is not level. Then, we can actually show that $\left(\mathbf{r}_{B_{k}P}\circ\phi\right)\left(S\right)$ and $\left(\phi\circ\mathbf{r}_{P}\right)\left(S\right)$ are identical. Indeed, it is easy to see that: • for every $T\in J\left(P\right)$ and every $v\in P$, we have $\left(\mathbf{t}_{v}\circ\phi\right)\left(T\right)=\left(\phi\circ\mathbf{t}_{v}\right)\left(T\right)$; • for every nonempty $T\in J\left(P\right)$ and every $w\in\left(B_{k}P\right)_{1}$, we have $\left(\mathbf{t}_{w}\circ\phi\right)\left(T\right)=\phi\left(T\right)$. Using these facts, and the definition of classical rowmotion as a composition of classical toggle maps $\mathbf{t}_{v}$, we can then easily see that $\left(\mathbf{r}_{B_{k}P}\circ\phi\right)\left(S\right)=\left(\phi\circ\mathbf{r}_{P}\right)\left(S\right)$. This completes the proof of $\overline{\mathbf{r}}_{B_{k}P}\circ\overline{\phi}=\overline{\phi}\circ\overline{\mathbf{r}}_{P}$.. Hence, the subset $\overline{\phi}\left(\overline{J\left(P\right)}\right)$ is closed under application of the map $\overline{\mathbf{r}}_{B_{k}P}$. The map $\overline{\phi}$ also is injective (this is very easy to see again, since the only order ideals of $P$ which are mapped to level order ideals by $\phi$ are themselves level). Thus, $\operatorname*{ord}\left(\overline{\mathbf{r}}_{B_{k}P}\mid_{\overline{\phi}\left(\overline{J\left(P\right)}\right)}\right)=\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)$ (because the injectivity of $\overline{\phi}$ allows us to identify $\overline{J\left(P\right)}$ with $\overline{\phi}\left(\overline{J\left(P\right)}\right)$ along the map $\overline{\phi}$, and then the equality $\overline{\mathbf{r}}_{B_{k}P}\circ\overline{\phi}=\overline{\phi}\circ\overline{\mathbf{r}}_{P}$ rewrites as $\overline{\mathbf{r}}_{B_{k}P}\mid_{\overline{\phi}\left(\overline{J\left(P\right)}\right)}=\overline{\mathbf{r}}_{P}$, so that $\operatorname*{ord}\left(\overline{\mathbf{r}}_{B_{k}P}\mid_{\overline{\phi}\left(\overline{J\left(P\right)}\right)}\right)=\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)$). Let $H$ be the set of all nonempty proper subsets of $\left(B_{k}P\right)_{1}$. It is clear that $H\subseteq J\left(B_{k}P\right)$. Notice that $H=\varnothing$ if $k=1$. Every $T\in H$ satisfies $\mathbf{r}_{B_{k}P}\left(T\right)=\left(B_{k}P\right)_{1}\setminus T$ (this is easy to see from any definition of classical rowmotion, or from Proposition 10.8). Hence, the set $H$ is closed under application of the map $\mathbf{r}_{B_{k}P}$, and this map $\mathbf{r}_{B_{k}P}$ maps every element of $H$ to its complement in $\left(B_{k}P\right)_{1}$. In particular, this shows that $\operatorname*{ord}\left(\mathbf{r}_{B_{k}P}\mid_{H}\right)=\left\\{\begin{array}[c]{l}2,\ \ \ \ \ \ \ \ \ \ \text{if }k>1;\\\ 1,\ \ \ \ \ \ \ \ \ \ \text{if }k=1\end{array}\right.$. We now use the map $\pi$ to identify the set $H$ with its projection $\pi\left(H\right)$ under $\pi$ (this is allowed because $\pi$ is injective on $H$). This identification entails $\left.\overline{\mathbf{r}}_{B_{k}P}\mid_{H}\right.=\mathbf{r}_{B_{k}P}\mid_{H}$. In particular, the set $H$ is closed under application of the map $\overline{\mathbf{r}}_{B_{k}P}$. But it is easy to see that $J\left(B_{k}P\right)$ is the union of the two subsets $H$ and $\phi\left(J\left(P\right)\right)$ (because every order ideal of $B_{k}P$ either contains the whole $\left(B_{k}P\right)_{1}$, or it does not, in which case it cannot contain any element of degree $>1$). Hence, $\overline{J\left(B_{k}P\right)}$ is the union of the two subsets $\pi\left(H\right)=H$ and $\pi\left(\phi\left(J\left(P\right)\right)\right)=\overline{\phi}\left(\overline{J\left(P\right)}\right)$. Moreover, these two subsets are disjoint and each of them is closed under application of the map $\overline{\mathbf{r}}_{B_{k}P}$. Hence, $\displaystyle\operatorname*{ord}\left(\overline{\mathbf{r}}_{B_{k}P}\right)$ $\displaystyle=\operatorname{lcm}\left(\operatorname*{ord}\left(\underbrace{\overline{\mathbf{r}}_{B_{k}P}\mid_{H}}_{=\mathbf{r}_{B_{k}P}\mid_{H}}\right),\operatorname*{ord}\left(\overline{\mathbf{r}}_{B_{k}P}\mid_{\overline{\phi}\left(\overline{J\left(P\right)}\right)}\right)\right)$ $\displaystyle=\operatorname{lcm}\left(\underbrace{\operatorname*{ord}\left(\mathbf{r}_{B_{k}P}\mid_{H}\right)}_{=\left\\{\begin{array}[c]{l}2,\ \ \ \ \ \ \ \ \ \ \text{if }k>1;\\\ 1,\ \ \ \ \ \ \ \ \ \ \text{if }k=1\end{array}\right.},\underbrace{\operatorname*{ord}\left(\overline{\mathbf{r}}_{B_{k}P}\mid_{\overline{\phi}\left(\overline{J\left(P\right)}\right)}\right)}_{=\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)}\right)$ $\displaystyle=\operatorname{lcm}\left(\left\\{\begin{array}[c]{l}2,\ \ \ \ \ \ \ \ \ \ \text{if }k>1;\\\ 1,\ \ \ \ \ \ \ \ \ \ \text{if }k=1\end{array}\right.,\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)\right)$ $\displaystyle=\left\\{\begin{array}[c]{l}\operatorname{lcm}\left(2,\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)\right),\ \ \ \ \ \ \ \ \ \ \text{if }k>1;\\\ \operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right),\ \ \ \ \ \ \ \ \ \ \text{if }k=1\end{array}\right..$ This proves (31). Thus, the proof of Proposition 10.31 is complete. ∎ We can also formulate an analogue of Proposition 9.11: ###### Proposition 10.32. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. (a) We have $\operatorname*{ord}\left(\overline{\mathbf{r}}_{B_{1}^{\prime}P}\right)=\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)$. (b) For every integer $k>1$, we have $\operatorname*{ord}\left(\overline{\mathbf{r}}_{B_{k}^{\prime}P}\right)=\operatorname{lcm}\left(2,\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)\right)$. ###### . The proof of this is fairly similar to that of Proposition 10.31. ∎ We can now prove Proposition 10.27: ###### Proof of Proposition 10.27 (sketched).. For any skeletal poset $T$, we can compute $\operatorname*{ord}\left(R_{T}\right)$ and $\operatorname*{ord}\left(\overline{R}_{T}\right)$ inductively using Proposition 9.8, Proposition 9.9, Proposition 9.10 and Proposition 9.11 (and the fact that $\operatorname*{ord}\left(R_{\varnothing}\right)=1$ and $\operatorname*{ord}\left(\overline{R}_{\varnothing}\right)=1$). More precisely: * • If $T$ is the empty poset $\varnothing$, then $\operatorname*{ord}\left(R_{T}\right)=\operatorname*{ord}\left(R_{\varnothing}\right)=1$ and $\operatorname*{ord}\left(\overline{R}_{T}\right)=\operatorname*{ord}\left(\overline{R}_{\varnothing}\right)=1$. * • If $T$ has the form $B_{k}P$ for some $n$-graded skeletal poset $P$ and some positive integer $k$, then Proposition 9.10 yields $\operatorname*{ord}\left(\overline{R}_{T}\right)=\operatorname*{ord}\left(\overline{R}_{B_{k}P}\right)=\left\\{\begin{array}[c]{l}\operatorname{lcm}\left(2,\operatorname*{ord}\left(\overline{R}_{P}\right)\right),\ \ \ \ \ \ \ \ \ \ \text{if }k>1;\\\ \operatorname*{ord}\left(\overline{R}_{P}\right),\ \ \ \ \ \ \ \ \ \ \text{if }k=1\end{array}\right.,$ and Proposition 7.3 yields $\operatorname*{ord}\left(R_{T}\right)=\operatorname{lcm}\left(n+1,\operatorname*{ord}\left(\overline{R}_{T}\right)\right)$. * • Analogously one can compute $\operatorname*{ord}\left(R_{T}\right)$ and $\operatorname*{ord}\left(\overline{R}_{T}\right)$ if $T$ has the form $B_{k}^{\prime}P$. * • If $T$ has the form $PQ$ for two WLOG nonempty $n$-graded skeletal posets $P$ and $Q$, then Proposition 9.8 yields $\operatorname*{ord}\left(R_{PQ}\right)=\operatorname{lcm}\left(\operatorname*{ord}\left(R_{P}\right),\operatorname*{ord}\left(R_{Q}\right)\right)$, and Proposition 9.9 yields $\operatorname*{ord}\left(\overline{R}_{PQ}\right)=\operatorname{lcm}\left(\operatorname*{ord}\left(R_{P}\right),\operatorname*{ord}\left(R_{Q}\right)\right)$. This gives an algorithm for inductively computing $\operatorname*{ord}\left(R_{T}\right)$ and $\operatorname*{ord}\left(\overline{R}_{T}\right)$ for a skeletal poset $T$. Using Proposition 10.29, Proposition 10.30, Proposition 10.31 and Proposition 10.32 (and the fact that $\operatorname*{ord}\left(\mathbf{r}_{\varnothing}\right)=1$ and $\operatorname*{ord}\left(\overline{\mathbf{r}}_{\varnothing}\right)=1$) instead, we could similarly obtain an algorithm for inductively computing $\operatorname*{ord}\left(\mathbf{r}_{T}\right)$ and $\operatorname*{ord}\left(\overline{\mathbf{r}}_{T}\right)$ for a skeletal poset $T$. And these two algorithms are the same, because of the direct analogy between the propositions that are used in the first algorithm and those used in the second one. Therefore, $\operatorname*{ord}\left(R_{P}\right)=\operatorname*{ord}\left(\mathbf{r}_{P}\right)$ and $\operatorname*{ord}\left(\overline{R}_{P}\right)=\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)$. This proves Proposition 10.27. ∎ Proposition 10.27 does not generalize to arbitrary graded posets. Counterexamples to such a generalization can be found in Section 20. Finally, in analogy to Corollary 9.12, we can now show: ###### Corollary 10.33. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Assume that $P$ is a rooted forest (made into a poset by having every node smaller than its children). (a) Then, $\operatorname*{ord}\left(\mathbf{r}_{P}\right)\mid\operatorname{lcm}\left(1,2,...,n+1\right)$. (b) Moreover, if $P$ is a tree, then $\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)\mid\operatorname{lcm}\left(1,2,...,n\right)$. Corollary 10.33 is also valid if we replace “every node smaller than its children” by “every node larger than its children”, and the proof is exactly analogous. Let us notice that the algorithm described in the proof of Proposition 10.27 can be turned into an explicit formula (not just an upper bound as in Corollary 10.33), whose inductive proof we leave to the reader: ###### Proposition 10.34. Let $n\in\mathbb{N}$. Let $P$ be an $n$-graded poset. Assume that $P$ is a rooted forest (made into a poset by having every node smaller than its children). Notice that $\left|\widehat{P}_{i}\right|\leqslant\left|\widehat{P}_{i+1}\right|$ for every $i\in\left\\{0,1,...,n-1\right\\}$ (where $\widehat{P}_{i}$ and $\widehat{P}_{i+1}$ are defined as in Definition 3.4). Then, $\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)=\operatorname{lcm}\left\\{n-i\ \mid\ i\in\left\\{0,1,...,n-1\right\\};\ \left|\widehat{P}_{i}\right|<\left|\widehat{P}_{i+1}\right|\right\\}.$ (Of course, $\operatorname*{ord}\left(\mathbf{r}_{P}\right)$ can now be computed by $\operatorname*{ord}\left(\mathbf{r}_{P}\right)=\operatorname{lcm}\left(n+1,\operatorname*{ord}\left(\overline{\mathbf{r}}_{P}\right)\right)$.) The same property therefore holds for birational rowmotion $R_{P}$ and its homogeneous version $\overline{R}_{P}$. ## 11 The rectangle: statements of the results ###### Definition 11.1. Let $p$ and $q$ be two positive integers. The $p\times q$-rectangle will denote the poset $\left\\{1,2,...,p\right\\}\times\left\\{1,2,...,q\right\\}$ with order defined as follows: For two elements $\left(i,k\right)$ and $\left(i^{\prime},k^{\prime}\right)$ of $\left\\{1,2,...,p\right\\}\times\left\\{1,2,...,q\right\\}$, we set $\left(i,k\right)\leqslant\left(i^{\prime},k^{\prime}\right)$ if and only if $\left(i\leqslant i^{\prime}\text{ and }k\leqslant k^{\prime}\right)$. ###### Example 11.2. Here is the Hasse diagram of the $2\times 3$-rectangle: $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 14.11111pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&\\\&&&\\\&&&\\\&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 27.6222pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 47.13327pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,3\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 88.86658pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 16.51108pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 58.24438pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 77.75546pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,3\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-14.11111pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,1\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 27.6222pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 47.13327pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 88.86658pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-80.39978pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 16.51108pt\raise-80.39978pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,1\right)}$}}}}}}}{\hbox{\kern 58.24438pt\raise-80.39978pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 88.86658pt\raise-80.39978pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ ###### Remark 11.3. Let $p$ and $q$ be positive integers. The $p\times q$-rectangle is denoted by $\left[p\right]\times\left[q\right]$ in the papers [StWi11], [EiPr13], [PrRo13] and [PrRo14]. ###### Remark 11.4. Let $p$ and $q$ be two positive integers. Let $\operatorname*{Rect}\left(p,q\right)$ denote the $p\times q$-rectangle. (a) The $p\times q$-rectangle is a $\left(p+q-1\right)$-graded poset, with $\deg\left(\left(i,k\right)\right)=i+k-1$ for all $\left(i,k\right)\in\operatorname*{Rect}\left(p,q\right)$. (b) Let $\left(i,k\right)$ and $\left(i^{\prime},k^{\prime}\right)$ be two elements of $\operatorname*{Rect}\left(p,q\right)$. Then, $\left(i,k\right)\lessdot\left(i^{\prime},k^{\prime}\right)$ if and only if either $\left(i^{\prime}=i\text{ and }k^{\prime}=k+1\right)$ or $\left(k^{\prime}=k\text{ and }i^{\prime}=i+1\right)$. We are going to use Remark 11.4 without explicit mention. The following theorem was conjectured by James Propp and the second author: ###### Theorem 11.5. Let $\operatorname*{Rect}\left(p,q\right)$ denote the $p\times q$-rectangle. Let $\mathbb{K}$ be a field. Then, $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)=p+q$. This is a birational analogue (and, using the reasoning of [EiPr13], generalization) of the classical fact (appearing in [StWi11, Theorem 3.1] and [Flaa93, Theorem 2]) that $\operatorname*{ord}\left(\mathbf{r}_{\operatorname*{Rect}\left(p,q\right)}\right)=p+q$ (using the notations of Definition 10.7 and Definition 10.28). Notice that Proposition 7.3 yields that $p+q\mid\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)$, so all that needs to be proven in order to verify Theorem 11.5 is showing that $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}=\operatorname*{id}$. Notice also that in the case when $p\leqslant 2$ and $q\leqslant 2$, Theorem 11.5 follows rather easily from Propositions 9.10 (a), 9.11 (a) and 7.3 (because $\operatorname*{Rect}\left(p,q\right)$ is a skeletal poset in this case), but this approach does not generalize to any interesting cases. ###### Remark 11.6. Theorem 11.5 generalizes a well-known property of promotion on semistandard Young tableaux of rectangular shape, albeit not in an obvious way. Here are some details (which a reader unacquainted with Young tableaux can freely skip): Let $N$ be a nonnegative integer, and let $\lambda$ be a partition. Let $\operatorname*{SSYT}\nolimits_{N}\lambda$ denote the set of all semistandard Young tableaux of shape $\lambda$ whose entries are all $\leqslant N$. One can define a map $\operatorname*{Pro}:\operatorname*{SSYT}\nolimits_{N}\lambda\rightarrow\operatorname*{SSYT}\nolimits_{N}\lambda$ called jeu-de-taquin promotion (or Schützenberger promotion, or simply promotion when no ambiguities can arise); see [Russ13, §5.1] for a precise definition. (The definition in [Rhoa10, §2] is different – it defines the inverse of this map. Conventions differ.) This map has some interesting properties already for arbitrary $\lambda$, but the most interesting situation is that of $\lambda$ being a rectangular partition (i.e., a partition all of whose nonzero parts are equal). In this situation, a folklore theorem states that $\operatorname*{Pro}\nolimits^{N}=\operatorname*{id}$. (The particular case of this theorem when $\operatorname*{Pro}$ is applied only to standard Young tableaux is well-known – see, e.g., [Haiman92, Theorem 4.4] –, but the only proof of the general theorem that we were able to find in literature is Rhoades’s – [Rhoa10, Corollary 5.6] –, which makes use of Kazhdan-Lusztig theory.) Theorem 11.5 can be used to give an alternative proof of this $\operatorname*{Pro}\nolimits^{N}=\operatorname*{id}$ theorem. See a future version of [EiPr13] (or, for the time being, [EiPr14, §2, pp. 4–5]) for how this works. Note that [Russ13, §5.1], [Rhoa10, §2] and [EiPr13] give three different definitions of promotion. The definitions in [Russ13, §5.1] and in [EiPr13] are equivalent, while the definition in [Rhoa10, §2] defines the inverse of the map defined in the other two sources. Unfortunately, we were unable to find the proofs of these facts in existing literature; they are claimed in [KiBe95, Propositions 2.5 and 2.6], and can be proven using the concept of tableau switching [Leeu01, Definition 2.2.1]. Besides Theorem 11.5, we can also state some kind of symmetry property of birational rowmotion on the $p\times q$-rectangle (referred to as the “pairing property” in [EiPr13]), which was also conjectured by Propp and the second author: ###### Theorem 11.7. Let $\operatorname*{Rect}\left(p,q\right)$ denote the $p\times q$-rectangle. Let $\mathbb{K}$ be a field. Let $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$. Assume that $R_{\operatorname*{Rect}\left(p,q\right)}^{\ell}f$ is well-defined for every $\ell\in\left\\{0,1,...,i+k-1\right\\}$. Let $\left(i,k\right)\in\operatorname*{Rect}\left(p,q\right)$. Then, $f\left(\left(p+1-i,q+1-k\right)\right)=\dfrac{f\left(0\right)f\left(1\right)}{\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right)\left(\left(i,k\right)\right)}.$ This Theorem generalizes the “reciprocity phenomenon” observed on the $2\times 2$-rectangle in Example 2.15. ###### Remark 11.8. While Theorem 11.5 only makes a statement about $R_{\operatorname*{Rect}\left(p,q\right)}$, it can be used (in combination with Proposition 9.10 and others) to derive upper bounds on the orders of $R_{P}$ and $\overline{R}_{P}$ for some other posets $P$. Here is an example: Let $\mathbb{K}$ be a field. For the duration of this remark, let us denote the poset $\operatorname*{Rect}\left(2,3\right)\setminus\left\\{\left(1,1\right),\left(2,3\right)\right\\}$ by $N$. (The Hasse diagram of this poset has the rather simple form $\textstyle{\left(2,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\left(1,3\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\left(2,1\right)}$$\textstyle{\left(1,2\right)}$, which explains why we have chosen to call it $N$ here.) Then, $\operatorname*{ord}\left(R_{N}\right)\mid 15$ and $\operatorname*{ord}\left(\overline{R}_{N}\right)\mid 5$. This can be proven as follows: We have $\operatorname*{Rect}\left(2,3\right)\cong B_{1}\left(B_{1}^{\prime}N\right)$ and therefore $\displaystyle\operatorname*{ord}\left(\overline{R}_{\operatorname*{Rect}\left(2,3\right)}\right)$ $\displaystyle=\operatorname*{ord}\left(\overline{R}_{B_{1}\left(B_{1}^{\prime}N\right)}\right)=\operatorname*{ord}\left(\overline{R}_{B_{1}^{\prime}N}\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by Proposition \ref{prop.Bk.ord} {(a)}}\right)$ $\displaystyle=\operatorname*{ord}\left(\overline{R}_{N}\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by Proposition \ref{prop.B'k.ord} {(a)}}\right),$ so that $\displaystyle\operatorname*{ord}\left(\overline{R}_{N}\right)$ $\displaystyle=\operatorname*{ord}\left(\overline{R}_{\operatorname*{Rect}\left(2,3\right)}\right)$ $\displaystyle\mid\operatorname{lcm}\left(4+1,\operatorname*{ord}\left(\overline{R}_{\operatorname*{Rect}\left(2,3\right)}\right)\right)=\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(2,3\right)}\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{by Proposition \ref{prop.ord- projord}, since }\operatorname*{Rect}\left(2,3\right)\text{ is }4\text{-graded}\right)$ $\displaystyle=2+3\ \ \ \ \ \ \ \ \ \ \left(\text{by Theorem \ref{thm.rect.ord}}\right)$ $\displaystyle=5$ and thus $\displaystyle\operatorname*{ord}\left(R_{N}\right)$ $\displaystyle=\operatorname{lcm}\left(\underbrace{2+1}_{=3},\underbrace{\operatorname*{ord}\left(\overline{R}_{N}\right)}_{\mid 5}\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by Proposition \ref{prop.ord- projord}, since }N\text{ is }2\text{-graded}\right)$ $\displaystyle\mid\operatorname{lcm}\left(3,5\right)=15.$ It can actually be shown that $\operatorname*{ord}\left(R_{N}\right)=15$ and $\operatorname*{ord}\left(\overline{R}_{N}\right)=5$ by direct computation. In the same vein it can be shown that $\operatorname*{ord}\left(\overline{R}_{\operatorname*{Rect}\left(p,q\right)\setminus\left\\{\left(1,1\right),\left(p,q\right)\right\\}}\right)\mid p+q$ and $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)\setminus\left\\{\left(1,1\right),\left(p,q\right)\right\\}}\right)\mid\operatorname{lcm}\left(p+q-2,p+q\right)$ for any integers $p>1$ and $q>1$. This doesn’t, however, generalize to arbitrary posets obtained by removing some ranks from $\operatorname*{Rect}\left(p,q\right)$ (indeed, sometimes birational rowmotion doesn’t even have finite order on such posets, cf. Section 20). ## 12 Reduced labellings The proof that we give for Theorem 11.5 and Theorem 11.7 is largely inspired by the proof of Zamolodchikov’s conjecture in case $AA$ given by Volkov in [Volk06]303030“Case $AA$” refers to the Cartesian product of the Dynkin diagrams of two type-$A$ root systems. This, of course, is a rectangle, just as in our Theorem 11.5.. This is not very surprising because the orbit of a $\mathbb{K}$-labelling under birational rowmotion appears superficially similar to a solution of a $Y$-system of type $AA$. Yet we do not see a way to derive Theorem 11.5 from Zamolodchikov’s conjecture or vice versa. (It should be noticed that Zamolodchikov’s Y-system has an obvious “reducibility property”, namely consisting of two decoupled subsystems – a property at least not obviously satisfied in the case of birational rowmotion.) The first step towards our proof of Theorem 11.5 is to restrict attention to so-called reduced labellings. Let us define these first: ###### Definition 12.1. Let $\operatorname*{Rect}\left(p,q\right)$ denote the $p\times q$-rectangle. Let $\mathbb{K}$ be a field. A labelling $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ is said to be reduced if $f\left(0\right)=f\left(1\right)=1$. The set of all reduced labellings $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ will be identified with $\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$ in the obvious way. Note that fixing the values of $f\left(0\right)$ and $f\left(1\right)$ like this makes $f$ “less generic”, but still the operator $R_{\operatorname*{Rect}\left(p,q\right)}$ restricts to a rational map from the variety of all reduced labellings $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ to itself. (This is because the operator $R_{\operatorname*{Rect}\left(p,q\right)}$ does not change the values at $0$ and $1$, and does not degenerate from setting $f\left(0\right)=f\left(1\right)=1$.) Reduced labellings are not much less general than arbitrary labellings: In fact, every zero-free $\mathbb{K}$-labelling $f$ of a graded poset $P$ is homogeneously equivalent to a reduced labelling. Thus, many results can be proven for all labellings by means of proving them for reduced labellings first, and then extending them to general labellings by means of homogeneous equivalence.313131A slightly different way to reduce the case of a general labelling to that of a reduced one is taken in [EiPr13, §4]. We will use this tactic in our proof of Theorem 11.5. Here is how this works: ###### Proposition 12.2. Let $\operatorname*{Rect}\left(p,q\right)$ denote the $p\times q$-rectangle. Let $\mathbb{K}$ be a field. Assume that almost every (in the Zariski sense) reduced labelling $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ satisfies $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}f=f$. Then, $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)=p+q$. ###### Proof of Proposition 12.2 (sketched).. Let $g\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ be any $\mathbb{K}$-labelling of $\operatorname*{Rect}\left(p,q\right)$ which is sufficiently generic for $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}g$ to be well-defined. We use the notation of Definition 5.2. Recall that $\operatorname*{Rect}\left(p,q\right)$ is a $\left(p+q-1\right)$-graded poset. We can easily find a $\left(p+q+1\right)$-tuple $\left(a_{0},a_{1},...,a_{p+q}\right)\in\left(\mathbb{K}^{\times}\right)^{p+q+1}$ such that $\left(a_{0},a_{1},...,a_{p+q}\right)\flat g$ is a reduced $\mathbb{K}$-labelling (in fact, set $a_{0}=\dfrac{1}{g\left(0\right)}$ and $a_{p+q}=\dfrac{1}{g\left(1\right)}$, and choose all other $a_{i}$ arbitrarily). Corollary 5.7 (applied to $p+q-1$, $\operatorname*{Rect}\left(p,q\right)$ and $g$ instead of $n$, $P$ and $f$) then yields $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}\left(\left(a_{0},a_{1},...,a_{p+q}\right)\flat g\right)=\left(a_{0},a_{1},...,a_{p+q}\right)\flat\left(R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}g\right).$ (32) We have assumed that almost every (in the Zariski sense) reduced labelling $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ satisfies $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}f=f$. Thus, every reduced labelling $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ for which $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}f$ is well-defined satisfies $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}f=f$ (because $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}f=f$ can be written as an equality between rational functions in the labels of $f$, and thus it must hold everywhere if it holds on a Zariski-dense open subset). Applying this to $f=\left(a_{0},a_{1},...,a_{p+q}\right)\flat g$, we obtain that $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}\left(\left(a_{0},a_{1},...,a_{p+q}\right)\flat g\right)=\left(a_{0},a_{1},...,a_{p+q}\right)\flat g$. Thus, $\displaystyle\left(a_{0},a_{1},...,a_{p+q}\right)\flat g$ $\displaystyle=R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}\left(\left(a_{0},a_{1},...,a_{p+q}\right)\flat g\right)$ $\displaystyle=\left(a_{0},a_{1},...,a_{p+q}\right)\flat\left(R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}g\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by (\ref{pf.rect.reduce.short.2})}\right).$ (33) We can cancel the “$\left(a_{0},a_{1},...,a_{p+q}\right)\flat$” from both sides of this equality (because all the $a_{i}$ are nonzero), and thus obtain $g=R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}g$. Now, forget that we fixed $g$. We thus have proven that $g=R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}g$ holds for every $\mathbb{K}$-labelling $g\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ of $\operatorname*{Rect}\left(p,q\right)$ which is sufficiently generic for $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}g$ to be well-defined. In other words, $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}=\operatorname*{id}$ as partial maps. Hence, $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)\mid p+q$. On the other hand, Proposition 7.3 (applied to $P=\operatorname*{Rect}\left(p,q\right)$ and $n=p+q-1$) yields $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)=\operatorname{lcm}\left(\left(p+q-1\right)+1,\operatorname*{ord}\left(\overline{R}_{\operatorname*{Rect}\left(p,q\right)}\right)\right)$. Hence, $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)$ is divisible by $\left(p+q-1\right)+1=p+q$. Combined with $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)\mid p+q$, this yields $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)=p+q$. This proves Proposition 12.2. ∎ Let us also formulate the particular case of Theorem 11.7 for reduced labellings: ###### Theorem 12.3. Let $\operatorname*{Rect}\left(p,q\right)$ denote the $p\times q$-rectangle. Let $\mathbb{K}$ be a field. Let $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ be reduced. Assume that $R_{\operatorname*{Rect}\left(p,q\right)}^{\ell}f$ is well-defined for every $\ell\in\left\\{0,1,...,i+k-1\right\\}$. Let $\left(i,k\right)\in\operatorname*{Rect}\left(p,q\right)$. Then, $f\left(\left(p+1-i,q+1-k\right)\right)=\dfrac{1}{\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right)\left(\left(i,k\right)\right)}.$ We will prove this before we prove the general form (Theorem 11.7), and in fact we are going to derive Theorem 11.7 from its particular case, Theorem 12.3. We are not going to encumber this section with the derivation; its details can be found in Section 16. ## 13 The Grassmannian parametrization: statements In this section, we are going to introduce the main actor in our proof of Theorem 11.5: an assignment of a reduced $\mathbb{K}$-labelling of $\operatorname*{Rect}\left(p,q\right)$, denoted $\operatorname*{Grasp}\nolimits_{j}A$, to any integer $j$ and almost any matrix $A\in\mathbb{K}^{p\times\left(p+q\right)}$ (Definition 13.9). This assignment will give us a family of $\mathbb{K}$-labellings of $\operatorname*{Rect}\left(p,q\right)$ which is large enough to cover almost all reduced $\mathbb{K}$-labellings of $\operatorname*{Rect}\left(p,q\right)$ (this is formalized in Proposition 13.14), while at the same time the construction of this assignment makes it easy to track the behavior of the $\mathbb{K}$-labellings in this family through multiple iterations of birational rowmotion. Indeed, we will see that birational rowmotion has a very simple effect on the reduced $\mathbb{K}$-labelling $\operatorname*{Grasp}\nolimits_{j}A$ (Proposition 13.13). ###### Definition 13.1. Let $\mathbb{K}$ be a commutative ring. Let $A\in\mathbb{K}^{u\times v}$ be a $u\times v$-matrix for some nonnegative integers $u$ and $v$. (This means, at least in this paper, a matrix with $u$ rows and $v$ columns.) (a) For every $i\in\left\\{1,2,...,v\right\\}$, let $A_{i}$ denote the $i$-th column of $A$. (b) Moreover, we extend this definition to all $i\in\mathbb{Z}$ as follows: For every $i\in\mathbb{Z}$, let $A_{i}=\left(-1\right)^{\left(u-1\right)\left(i-i^{\prime}\right)\diagup v}\cdot A_{i^{\prime}},$ where $i^{\prime}$ is the element of $\left\\{1,2,...,v\right\\}$ which is congruent to $i$ modulo $v$. (Thus, $A_{v+i}=\left(-1\right)^{u-1}A_{i}$ for every $i\in\mathbb{Z}$. Consequently, the sequence $\left(A_{i}\right)_{i\in\mathbb{Z}}$ is periodic with period dividing $2v$, and if $u$ is odd, the period also divides $v$.) (c) For any four integers $a$, $b$, $c$ and $d$ satisfying $a\leqslant b$ and $c\leqslant d$, we let $A\left[a:b\mid c:d\right]$ be the matrix whose columns (from left to right) are $A_{a}$, $A_{a+1}$, $...$, $A_{b-1}$, $A_{c}$, $A_{c+1}$, $...$, $A_{d-1}$. (This matrix has $b-a+d-c$ columns.)323232Some remarks on this matrix $A\left[a:b\mid c:d\right]$ are appropriate at this point. 1. We notice that we allow the case $a=b$. In this case, obviously, the columns of the matrix $A\left[a:b\mid c:d\right]$ are $A_{c}$, $A_{c+1}$, $...$, $A_{d-1}$, so the precise value of $a=b$ does not matter. Similarly, the case $c=d$ is allowed. 2. The matrix $A\left[a:b\mid c:d\right]$ is not always a submatrix of $A$. Its columns are columns of $A$ multiplied with $1$ or $-1$; they can appear several times and need not appear in the same order as they appear in $A$. When $b-a+d-c=u$, this matrix $A\left[a:b\mid c:d\right]$ is a square matrix (with $u$ rows and $u$ columns), and thus has a determinant $\det\left(A\left[a:b\mid c:d\right]\right)$. (d) We extend the definition of $\det\left(A\left[a:b\mid c:d\right]\right)$ to encompass the case when $b=a-1$ or $d=c-1$, by setting $\det\left(A\left[a:b\mid c:d\right]\right)=0$ in this case (although the matrix $A\left[a:b\mid c:d\right]$ itself is not defined in this case). The reader should be warned that, for $\det\left(A\left[a:b\mid c:d\right]\right)$ to be defined, we need $b-a+d-c=u$ (not just $b-a+d-c\equiv u\operatorname{mod}v$, despite the apparent periodicity in the construction of the matrix $A$.) ###### Example 13.2. If $A$ is the $2\times 3$-matrix $\left(\begin{array}[c]{ccc}3&5&7\\\ 4&1&9\end{array}\right)$, then Definition 13.1 (b) yields (for instance) $A_{5}=\left(-1\right)^{\left(2-1\right)\left(5-2\right)\diagup 3}\cdot A_{2}=-A_{2}=-\left(\begin{array}[c]{c}5\\\ 1\end{array}\right)=\left(\begin{array}[c]{c}-5\\\ -1\end{array}\right)$ and $A_{-4}=\left(-1\right)^{\left(2-1\right)\left(\left(-4\right)-2\right)\diagup 3}\cdot A_{2}=A_{2}=\left(\begin{array}[c]{c}5\\\ 1\end{array}\right)$. If $A$ is the $3\times 2$-matrix $\left(\begin{array}[c]{cc}1&2\\\ 3&2\\\ -5&4\end{array}\right)$, then Definition 13.1 (b) yields (for instance) $A_{0}=\left(-1\right)^{\left(3-1\right)\left(0-2\right)\diagup 2}\cdot A_{2}=A_{2}=\left(\begin{array}[c]{c}2\\\ 2\\\ 4\end{array}\right)$. ###### Remark 13.3. Some parts of Definition 13.1 might look accidental and haphazard; here are some motivations and aide-memoires: The choice of sign in Definition 13.1 (b) is not only the “right” one for what we are going to do below, but also naturally appears in [Post06, Remark 3.3]. It guarantees, among other things, that if $A\in\mathbb{R}^{u\times v}$ is totally nonnegative, then the matrix having columns $A_{1+i}$, $A_{2+i}$, $...$, $A_{v+i}$ is totally nonnegative for every $i\in\mathbb{Z}$. The notation $A\left[a:b\mid c:d\right]$ in Definition 13.1 (c) borrows from Python’s notation $\left[x:y\right]$ for taking indices from the interval $\left\\{x,x+1,...,y-1\right\\}$. The convention to define $\det\left(A\left[a:b\mid c:d\right]\right)$ as $0$ in Definition 13.1 (d) can be motivated using exterior algebra as follows: If we identify $\wedge^{u}\left(\mathbb{K}^{u}\right)$ with $\mathbb{K}$ by equating with $1\in\mathbb{K}$ the wedge product $e_{1}\wedge e_{2}\wedge...\wedge e_{u}$ of the standard basis vectors, then $\det\left(A\left[a:b\mid c:d\right]\right)=A_{a}\wedge A_{a+1}\wedge...\wedge A_{b-1}\wedge A_{c}\wedge A_{c+1}\wedge...\wedge A_{d-1}$; this belongs to the product of $\wedge^{b-a}\left(\mathbb{K}^{u}\right)$ with $\wedge^{d-c}\left(\mathbb{K}^{u}\right)$ in $\wedge^{u}\left(\mathbb{K}^{u}\right)$. If $b=a-1$, then this product is $0$ (since $\wedge^{b-a}\left(\mathbb{K}^{u}\right)=\wedge^{-1}\left(\mathbb{K}^{u}\right)=0$), so $\det\left(A\left[a:b\mid c:d\right]\right)$ has to be $0$ in this case. Before we go any further, we make several straightforward observations about the notations we have just introduced. ###### Proposition 13.4. Let $\mathbb{K}$ be a field. Let $A\in\mathbb{K}^{u\times v}$ be a $u\times v$-matrix for some nonnegative integers $u$ and $v$. Let $a$, $b$, $c$ and $d$ be four integers satisfying $a\leqslant b$ and $c\leqslant d$ and $b-a+d-c=u$. Assume that some element of the interval $\left\\{a,a+1,...,b-1\right\\}$ is congruent to some element of the interval $\left\\{c,c+1,...,d-1\right\\}$ modulo $v$. Then, $\det\left(A\left[a:b\mid c:d\right]\right)=0$. ###### Proof of Proposition 13.4.. The assumption yields that the matrix $A\left[a:b\mid c:d\right]$ has two columns which are proportional to each other by a factor of $\pm 1$. Hence, this matrix has determinant $0$. ∎ ###### Proposition 13.5. Let $\mathbb{K}$ be a field. Let $A\in\mathbb{K}^{u\times v}$ be a $u\times v$-matrix for some nonnegative integers $u$ and $v$. Let $a$, $b$, $c$ and $d$ be four integers satisfying $a\leqslant b$ and $c\leqslant d$ and $b-a+d-c=u$. Then, $\det\left(A\left[a:b\mid c:d\right]\right)=\left(-1\right)^{\left(b-a\right)\left(d-c\right)}\det\left(A\left[c:d\mid a:b\right]\right).$ ###### Proof of Proposition 13.5.. This follows from the fact that permuting the columns of a matrix multiplies its determinant by the sign of the corresponding permutation. ∎ ###### Proposition 13.6. Let $\mathbb{K}$ be a field. Let $A\in\mathbb{K}^{u\times v}$ be a $u\times v$-matrix for some nonnegative integers $u$ and $v$. Let $a$, $b_{1}$, $b_{2}$ and $c$ be four integers satisfying $a\leqslant b_{1}\leqslant c$ and $a\leqslant b_{2}\leqslant c$. Then, $A\left[a:b_{1}\mid b_{1}:c\right]=A\left[a:b_{2}\mid b_{2}:c\right].$ ###### Proof of Proposition 13.6.. Both matrices $A\left[a:b_{1}\mid b_{1}:c\right]$ and $A\left[a:b_{2}\mid b_{2}:c\right]$ are simply the matrix with columns $A_{a}$, $A_{a+1}$, $...$, $A_{c-1}$. ∎ ###### Proposition 13.7. Let $\mathbb{K}$ be a field. Let $A\in\mathbb{K}^{u\times v}$ be a $u\times v$-matrix for some nonnegative integers $u$ and $v$. Let $c$ and $d$ be two integers satisfying $c\leqslant d$. Then: (a) Any integers $a_{1}$ and $a_{2}$ satisfy $A\left[a_{1}:a_{1}\mid c:d\right]=A\left[a_{2}:a_{2}\mid c:d\right].$ (b) Any integers $a_{1}$ and $a_{2}$ satisfy $A\left[c:d\mid a_{1}:a_{1}\right]=A\left[c:d\mid a_{2}:a_{2}\right].$ (c) If $a$ and $b$ are integers satisfying $c\leqslant b\leqslant d$, then $A\left[c:b\mid b:d\right]=A\left[c:d\mid a:a\right].$ ###### Proof of Proposition 13.7.. All six matrices in the above equalities are simply the matrix with columns $A_{c}$, $A_{c+1}$, $...$, $A_{d-1}$. ∎ ###### Proposition 13.8. Let $\mathbb{K}$ be a field. Let $A\in\mathbb{K}^{u\times v}$ be a $u\times v$-matrix for some nonnegative integers $u$ and $v$. Let $a$, $b$, $c$ and $d$ be four integers satisfying $a\leqslant b$ and $c\leqslant d$ and $b-a+d-c=u$. (a) We have $\det\left(A\left[v+a:v+b\mid v+c:v+d\right]\right)=\det\left(A\left[a:b\mid c:d\right]\right).$ (b) We have $\det\left(A\left[a:b\mid v+c:v+d\right]\right)=\left(-1\right)^{\left(u-1\right)\left(d-c\right)}\det\left(A\left[a:b\mid c:d\right]\right).$ (c) We have $\det\left(A\left[a:b\mid v+c:v+d\right]\right)=\det\left(A\left[c:d\mid a:b\right]\right).$ ###### Proof of Proposition 13.8 (sketched).. Nothing about this is anything more than trivial. Part (a) and (b) follow from the fact that $A_{v+i}=\left(-1\right)^{u-1}A_{i}$ for every $i\in\mathbb{Z}$ (which is owed to Definition 13.1 (b)) and the multilinearity of the determinant. The proof of part (c) additionally uses Proposition 13.5 and a careful sign computation (notice that $\left(-1\right)^{\left(d-c-1\right)\left(d-c\right)}=1$ because $\left(d-c-1\right)\left(d-c\right)$ is even, no matter what the parities of $c$ and $d$ are). All details can be easily filled in by the reader. ∎ ###### Definition 13.9. Let $\mathbb{K}$ be a field. Let $p$ and $q$ be two positive integers. Let $A\in\mathbb{K}^{p\times\left(p+q\right)}$. Let $j\in\mathbb{Z}$. (a) We define a map $\operatorname*{Grasp}\nolimits_{j}A\in\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$ by $\displaystyle\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(i,k\right)\right)$ $\displaystyle=\dfrac{\det\left(A\left[j+1:j+i\mid j+i+k-1:j+p+k\right]\right)}{\det\left(A\left[j:j+i\mid j+i+k:j+p+k\right]\right)}$ (34) $\displaystyle\ \ \ \ \ \ \ \ \ \ \left.\text{for every }\left(i,k\right)\in\operatorname*{Rect}\left(p,q\right)=\left\\{1,2,...,p\right\\}\times\left\\{1,2,...,q\right\\}\right.$ (this is well-defined when the matrix $A$ is sufficiently generic (in the sense of Zariski topology), since the matrix $A\left[j:j+i\mid j+i+k:j+p+k\right]$ is obtained by picking $p$ distinct columns out of $A$, some possibly multiplied with $\left(-1\right)^{u-1}$). This map $\operatorname*{Grasp}\nolimits_{j}A$ will be considered as a reduced $\mathbb{K}$-labelling of $\operatorname*{Rect}\left(p,q\right)$ (since we are identifying the set of all reduced labellings $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ with $\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$). (b) It will be handy to extend the map $\operatorname*{Grasp}\nolimits_{j}A$ to a slightly larger domain by blindly following (34) (and using Definition 13.1 (d)), accepting the fact that outside $\left\\{1,2,...,p\right\\}\times\left\\{1,2,...,q\right\\}$ its values can be “infinity”: $\displaystyle\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(0,k\right)\right)$ $\displaystyle=0\ \ \ \ \ \ \ \ \ \ \text{for all }k\in\left\\{1,2,...,q\right\\};$ $\displaystyle\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(p+1,k\right)\right)$ $\displaystyle=\infty\ \ \ \ \ \ \ \ \ \ \text{for all }k\in\left\\{1,2,...,q\right\\};$ $\displaystyle\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(i,0\right)\right)$ $\displaystyle=0\ \ \ \ \ \ \ \ \ \ \text{for all }i\in\left\\{1,2,...,p\right\\};$ $\displaystyle\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(i,q+1\right)\right)$ $\displaystyle=\infty\ \ \ \ \ \ \ \ \ \ \text{for all }i\in\left\\{1,2,...,p\right\\}.$ (We treat $\infty$ as a symbol with the properties $\dfrac{1}{0}=\infty$ and $\dfrac{1}{\infty}=0$.) The notation “$\operatorname*{Grasp}$” harkens back to “Grassmannian parametrization”, as we will later parametrize (generic) reduced labellings on $\operatorname*{Rect}\left(p,q\right)$ by matrices via this map $\operatorname*{Grasp}\nolimits_{0}$. The reason for the word “Grassmannian” is that, while we have defined $\operatorname*{Grasp}\nolimits_{j}$ as a rational map from the matrix space $\mathbb{K}^{p\times\left(p+q\right)}$, it actually is not defined outside of the Zariski-dense open subset $\mathbb{K}_{\operatorname*{rk}=p}^{p\times\left(p+q\right)}$ of $\mathbb{K}^{p\times\left(p+q\right)}$ formed by all matrices whose rank is $p$, and on that subset $\mathbb{K}_{\operatorname*{rk}=p}^{p\times\left(p+q\right)}$ it factors through the quotient of $\mathbb{K}_{\operatorname*{rk}=p}^{p\times\left(p+q\right)}$ by the left multiplication action of $\operatorname*{GL}\nolimits_{p}\mathbb{K}$ (because it is easy to see that $\operatorname*{Grasp}\nolimits_{j}A$ is invariant under row transformations of $A$); this quotient is a well-known avatar of the Grassmannian. The formula (34) is inspired by the $Y_{ijk}$ of Volkov’s [Volk06]; similar expressions (in a different context) also appear in [Kiri00, Theorem 4.21]. ###### Example 13.10. If $p=2$, $q=2$ and $A=\left(\begin{array}[c]{cccc}a_{11}&a_{12}&a_{13}&a_{14}\\\ a_{21}&a_{22}&a_{23}&a_{24}\end{array}\right)$, then $\left(\operatorname*{Grasp}\nolimits_{0}A\right)\left(\left(1,1\right)\right)=\dfrac{\det\left(A\left[1:1\mid 1:3\right]\right)}{\det\left(A\left[0:1\mid 2:3\right]\right)}=\dfrac{\det\left(\begin{array}[c]{cc}a_{11}&a_{12}\\\ a_{21}&a_{22}\end{array}\right)}{\det\left(\begin{array}[c]{cc}-a_{14}&a_{12}\\\ -a_{24}&a_{22}\end{array}\right)}=\dfrac{a_{11}a_{22}-a_{12}a_{21}}{a_{12}a_{24}-a_{14}a_{22}}$ and $\left(\operatorname*{Grasp}\nolimits_{1}A\right)\left(\left(1,2\right)\right)=\dfrac{\det\left(A\left[2:2\mid 3:5\right]\right)}{\det\left(A\left[1:2\mid 4:5\right]\right)}=\dfrac{\det\left(\begin{array}[c]{cc}a_{13}&a_{14}\\\ a_{23}&a_{24}\end{array}\right)}{\det\left(\begin{array}[c]{cc}a_{11}&a_{14}\\\ a_{21}&a_{24}\end{array}\right)}=\dfrac{a_{13}a_{24}-a_{14}a_{23}}{a_{11}a_{24}-a_{14}a_{21}}.$ We will see more examples of values of $\operatorname*{Grasp}\nolimits_{0}A$ in Example 15.1. ###### Proposition 13.11. Let $\mathbb{K}$ be a field. Let $p$ and $q$ be two positive integers. Let $A\in\mathbb{K}^{p\times\left(p+q\right)}$ be a matrix. Then, $\operatorname*{Grasp}\nolimits_{j}A=\operatorname*{Grasp}\nolimits_{p+q+j}A$ for every $j\in\mathbb{Z}$ (provided that $A$ is sufficiently generic in the sense of Zariski topology for $\operatorname*{Grasp}\nolimits_{j}A$ to be well-defined). ###### Proof of Proposition 13.11 (sketched).. We need to show that $\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(i,k\right)\right)=\left(\operatorname*{Grasp}\nolimits_{p+q+j}A\right)\left(\left(i,k\right)\right)$ for every $\left(i,k\right)\in\left\\{1,2,...,p\right\\}\times\left\\{1,2,...,q\right\\}$. But we have $\displaystyle A\left[p+q+j:p+q+j+i\mid p+q+j+i+k:p+q+j+p+k\right]$ $\displaystyle=A\left[j:j+i\mid j+i+k:j+p+k\right]$ (by Proposition 13.8 (a), applied to $u=p$, $v=p+q$, $a=j$, $b=j+i$, $c=j+i+k$ and $d=j+p+k$) and $\displaystyle A\left[p+q+j+1:p+q+j+i\mid p+q+j+i+k-1:p+q+j+p+k\right]$ $\displaystyle=A\left[j+1:j+i\mid j+i+k-1:j+p+k\right]$ (by Proposition 13.8 (a), applied to $u=p$, $v=p+q$, $a=j+1$, $b=j+i$, $c=j+i+k-1$ and $d=j+p+k$). Using these equalities, we immediately obtain $\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(i,k\right)\right)=\left(\operatorname*{Grasp}\nolimits_{p+q+j}A\right)\left(\left(i,k\right)\right)$ from the definition of $\operatorname*{Grasp}\nolimits_{j}A$. Proposition 13.11 is proven. ∎ ###### Proposition 13.12. Let $\mathbb{K}$ be a field. Let $p$ and $q$ be two positive integers. Let $A\in\mathbb{K}^{p\times\left(p+q\right)}$ be a matrix. Let $\left(i,k\right)\in\operatorname*{Rect}\left(p,q\right)$ and $j\in\mathbb{Z}$. Then, $\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(i,k\right)\right)=\dfrac{1}{\left(\operatorname*{Grasp}\nolimits_{j+i+k-1}A\right)\left(\left(p+1-i,q+1-k\right)\right)}$ (provided that $A$ is sufficiently generic in the sense of Zariski topology for $\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(i,k\right)\right)$ and $\left(\operatorname*{Grasp}\nolimits_{j+i+k-1}A\right)\left(\left(p+1-i,q+1-k\right)\right)$ to be well-defined). ###### Proof. The proof of Proposition 13.12 is completely straightforward: one merely needs to expand the definitions of $\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(i,k\right)\right)$ and $\left(\operatorname*{Grasp}\nolimits_{j+i+k-1}A\right)\left(\left(p+1-i,q+1-k\right)\right)$ and to apply Proposition 13.8 (c) twice. ∎ Now, let us state the two facts which will combine to a proof of Theorem 11.5: ###### Proposition 13.13. Let $\mathbb{K}$ be a field. Let $p$ and $q$ be two positive integers. Let $A\in\mathbb{K}^{p\times\left(p+q\right)}$ be a matrix. Let $j\in\mathbb{Z}$. Then, $\operatorname*{Grasp}\nolimits_{j}A=R_{\operatorname*{Rect}\left(p,q\right)}\left(\operatorname*{Grasp}\nolimits_{j+1}A\right)$ (provided that $A$ is sufficiently generic in the sense of Zariski topology for the two sides of this equality to be well-defined). ###### Proposition 13.14. Let $\mathbb{K}$ be a field. Let $p$ and $q$ be two positive integers. For almost every (in the Zariski sense) $f\in\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$, there exists a matrix $A\in\mathbb{K}^{p\times\left(p+q\right)}$ satisfying $f=\operatorname*{Grasp}\nolimits_{0}A$. Once these propositions are proven, Theorems 11.5, 12.3 and 11.7 will be rather easy to obtain. We delay the details of this until Section 16. ## 14 The Plücker-Ptolemy relation This section is devoted to proving Proposition 13.13. Before we proceed to the proof, we will need some fundamental identities concerning determinants of matrices. Our main tool is the following fact, which we call the Plücker- Ptolemy relation: ###### Theorem 14.1. Let $\mathbb{K}$ be a field. Let $A\in\mathbb{K}^{u\times v}$ be a $u\times v$-matrix for some nonnegative integers $u$ and $v$. Let $a$, $b$, $c$ and $d$ be four integers satisfying $a\leqslant b+1$ and $c\leqslant d+1$ and $b-a+d-c=u-2$. Then, $\displaystyle\det\left(A\left[a-1:b\mid c:d+1\right]\right)\cdot\det\left(A\left[a:b+1\mid c-1:d\right]\right)$ $\displaystyle+\det\left(A\left[a:b\mid c-1:d+1\right]\right)\cdot\det\left(A\left[a-1:b+1\mid c:d\right]\right)$ $\displaystyle=\det\left(A\left[a-1:b\mid c-1:d\right]\right)\cdot\det\left(A\left[a:b+1\mid c:d+1\right]\right).$ Notice that the special case of this theorem for $v=u+2$, $a=2$, $b=p$, $c=p+2$ and $d=p+q$ is the following lemma: ###### Lemma 14.2. Let $\mathbb{K}$ be a field. Let $u\in\mathbb{N}$. Let $B\in\mathbb{K}^{u\times\left(u+2\right)}$ be a $u\times\left(u+2\right)$-matrix. Let $p$ and $q$ be two integers $\geqslant 2$ satisfying $p+q=u+2$. Then, $\displaystyle\det\left(B\left[1:p\mid p+2:p+q+1\right]\right)\cdot\det\left(B\left[2:p+1\mid p+1:p+q\right]\right)$ $\displaystyle+\det\left(B\left[2:p\mid p+1:p+q+1\right]\right)\cdot\det\left(B\left[1:p+1\mid p+2:p+q\right]\right)$ $\displaystyle=\det\left(B\left[1:p\mid p+1:p+q\right]\right)\cdot\det\left(B\left[2:p+1\mid p+2:p+q+1\right]\right).$ (35) ###### Proof of Theorem 14.1 (sketched).. If $a=b-1$ or $c=d-1$, then Theorem 14.1 degenerates to a triviality (namely, $0+0=0$). Hence, for the rest of this proof, we assume WLOG that neither $a=b-1$ nor $c=d-1$. Hence, $a\leqslant b$ and $c\leqslant d$. Now, Theorem 14.1 follows from the Plücker relations (see, e.g., [KlLa72, (QR)]) applied to the $u\times\left(u+2\right)$-matrix $A\left[a-1:b+1\mid c-1:d+1\right]$. But let us show an alternative proof of Theorem 14.1 which avoids the use of the Plücker relations: Let $p=b-a+2$ and $q=d-c+2$. Then, $p\geqslant 2$, $q\geqslant 2$ and $p+q=u+2$. Let $B$ be the matrix whose columns (from left to right) are $A_{a-1}$, $A_{a}$, $...$, $A_{b}$, $A_{c-1}$, $A_{c}$, $...$, $A_{d}$. Then, $B$ is a $u\times\left(u+2\right)$-matrix and satisfies $\displaystyle A\left[a-1:b\mid c:d+1\right]$ $\displaystyle=B\left[1:p-1\mid p+2:p+q+1\right];$ $\displaystyle A\left[a:b+1\mid c-1:d\right]$ $\displaystyle=B\left[2:p\mid p+1:p+q\right];$ $\displaystyle A\left[a:b\mid c-1:d+1\right]$ $\displaystyle=B\left[2:p-1\mid p+1:p+q+1\right];$ $\displaystyle A\left[a-1:b+1\mid c:d\right]$ $\displaystyle=B\left[1:p\mid p+2:p+q\right];$ $\displaystyle A\left[a-1:b\mid c-1:d\right]$ $\displaystyle=B\left[1:p-1\mid p+1:p+q\right];$ $\displaystyle A\left[a:b+1\mid c:d+1\right]$ $\displaystyle=B\left[2:p\mid p+2:p+q+1\right].$ Hence, the equality that we have to prove, namely $\displaystyle\det\left(A\left[a-1:b\mid c:d+1\right]\right)\cdot\det\left(A\left[a:b+1\mid c-1:d\right]\right)$ $\displaystyle+\det\left(A\left[a:b\mid c-1:d+1\right]\right)\cdot\det\left(A\left[a-1:b+1\mid c:d\right]\right)$ $\displaystyle=\det\left(A\left[a-1:b\mid c-1:d\right]\right)\cdot\det\left(A\left[a:b+1\mid c:d+1\right]\right),$ rewrites as $\displaystyle\det\left(B\left[1:p\mid p+2:p+q+1\right]\right)\cdot\det\left(B\left[2:p+1\mid p+1:p+q\right]\right)$ $\displaystyle+\det\left(B\left[2:p\mid p+1:p+q+1\right]\right)\cdot\det\left(B\left[1:p+1\mid p+2:p+q\right]\right)$ $\displaystyle=\det\left(B\left[1:p\mid p+1:p+q\right]\right)\cdot\det\left(B\left[2:p+1\mid p+2:p+q+1\right]\right).$ But this equality follows from Lemma 14.2. Hence, in order to complete the proof of Theorem 14.1, we only need to verify Lemma 14.2. ∎ ###### Proof of Lemma 14.2 (sketched).. Let $\left(e_{1},e_{2},...,e_{u}\right)$ be the standard basis of the $\mathbb{K}$-vector space $\mathbb{K}^{u}$. Let $\alpha$ and $\beta$ be the $\left(p-1\right)$-st entries of the columns $B_{1}$ and $B_{p+q}$ of $B$. Let $\gamma$ and $\delta$ be the $p$-th entries of the columns $B_{1}$ and $B_{p+q}$ of $B$. We need to prove (35). Since (35) is a polynomial identity in the entries of $B$, let us WLOG assume that the columns $B_{2}$, $B_{3}$, $...$, $B_{p+q-1}$ of $B$ (these are the middle $u$ among the altogether $u+2=p+q$ columns of $B$) are linearly independent (since $u$ vectors in $\mathbb{K}^{u}$ in general position are linearly independent). Then, by applying row transformations to the matrix $B$, we can transform these columns into the basis vectors $e_{1}$, $e_{2}$, $...$, $e_{u}$ of $\mathbb{K}^{u}$. Since the equality (35) is preserved under row transformations of $B$ (indeed, row transformations of $B$ amount to row transformations of all six matrices appearing in (35), and thus their only effect on the equality (35) is to multiply the six determinants appearing in (35) by certain scalar factors, but these scalar factors are all equal and thus don’t affect the validity of the equality), we can therefore WLOG assume that the columns $B_{2}$, $B_{3}$, $...$, $B_{p+q-1}$ of $B$ are the basis vectors $e_{1}$, $e_{2}$, $...$, $e_{u}$ of $\mathbb{K}^{u}$. The matrix $B$ then looks as follows: $\left(\begin{array}[c]{cccccccccccc}\ast&1&0&\cdots&0&0&0&0&0&\cdots&0&\ast\\\ \ast&0&1&\cdots&0&0&0&0&0&\cdots&0&\ast\\\ \vdots&\vdots&\vdots&\ddots&\vdots&\vdots&\vdots&\vdots&\vdots&\ddots&\vdots&\ast\\\ \ast&0&0&\cdots&1&0&0&0&0&\cdots&0&\ast\\\ \ast&0&0&\cdots&0&1&0&0&0&\cdots&0&\ast\\\ \alpha&0&0&\cdots&0&0&1&0&0&\cdots&0&\beta\\\ \gamma&0&0&\cdots&0&0&0&1&0&\cdots&0&\delta\\\ \ast&0&0&\cdots&0&0&0&0&1&\cdots&0&\ast\\\ \vdots&\vdots&\vdots&\ddots&\vdots&\vdots&\vdots&\vdots&\vdots&\ddots&\vdots&\vdots\\\ \ast&0&0&\cdots&0&0&0&0&0&\cdots&1&\ast\end{array}\right),$ where asterisks ($\ast$) signify entries which we are not concerned with. Now, there is a method to simplify the determinant of a matrix if some columns of this matrix are known to belong to the standard basis $\left(e_{1},e_{2},...,e_{u}\right)$. Indeed, such a matrix can first be brought to a block-triangular form by permuting columns (which affects the determinant by $\left(-1\right)^{\sigma}$, with $\sigma$ being the sign of the permutation used), and then its determinant can be evaluated using the fact that the determinant of a block-triangular matrix is the product of the determinants of its diagonal blocks. Applying this method to each of the six matrices appearing in (35), we obtain $\displaystyle\det\left(B\left[1:p\mid p+2:p+q+1\right]\right)$ $\displaystyle=\left(-1\right)^{p+q}\left(\alpha\delta-\beta\gamma\right);$ $\displaystyle\det\left(B\left[2:p+1\mid p+1:p+q\right]\right)$ $\displaystyle=1;$ $\displaystyle\det\left(B\left[2:p\mid p+1:p+q+1\right]\right)$ $\displaystyle=\left(-1\right)^{q-1}\beta;$ $\displaystyle\det\left(B\left[1:p+1\mid p+2:p+q\right]\right)$ $\displaystyle=\left(-1\right)^{p-1}\gamma;$ $\displaystyle\det\left(B\left[1:p\mid p+1:p+q\right]\right)$ $\displaystyle=\left(-1\right)^{p-2}\alpha;$ $\displaystyle\det\left(B\left[2:p+1\mid p+2:p+q+1\right]\right)$ $\displaystyle=\left(-1\right)^{q-2}\delta.$ Hence, (35) rewrites as $\left(-1\right)^{p+q}\left(\alpha\delta-\beta\gamma\right)\cdot 1+\left(-1\right)^{q-1}\beta\cdot\left(-1\right)^{p-1}\gamma=\left(-1\right)^{p-2}\alpha\cdot\left(-1\right)^{q-2}\delta.$ Upon cancelling the signs, this simplifies to $\left(\alpha\delta-\beta\gamma\right)+\beta\gamma=\alpha\delta$, which is trivially true. Thus we have proven (35). Hence, Lemma 14.2 is proven. ∎ ###### Remark 14.3. Instead of transforming the middle $p+q$ columns of the matrix $B$ to the standard basis vectors $e_{1}$, $e_{2}$, $...$, $e_{u}$ of $\mathbb{K}^{u}$ as we did in the proof of Lemma 14.2, we could have transformed the first and last columns of $B$ into the two last standard basis vectors $e_{u-1}$ and $e_{u}$. The resulting identity would have been Dodgson’s condensation identity (which appears, e.g., in [Zeil98, (Alice)]), applied to the matrix formed by the remaining $u$ columns of $B$ and after some interchange of rows and columns. ###### Proof of Proposition 13.13.. Let $f=\operatorname*{Grasp}\nolimits_{j+1}A$ and $g=\operatorname*{Grasp}\nolimits_{j}A$. Clearly, $f\left(0\right)=1=g\left(0\right)$ and $f\left(1\right)=1=g\left(1\right)$. We want to show that $\operatorname*{Grasp}\nolimits_{j}A=R_{\operatorname*{Rect}\left(p,q\right)}\left(\operatorname*{Grasp}\nolimits_{j+1}A\right)$. In other words, we want to show that $g=R_{\operatorname*{Rect}\left(p,q\right)}\left(f\right)$ (because $g=\operatorname*{Grasp}\nolimits_{j}A$ and $f=\operatorname*{Grasp}\nolimits_{j+1}A$). According to Proposition 2.19 (applied to $P=\operatorname*{Rect}\left(p,q\right)$), this will follow once we can show that $g\left(v\right)=\dfrac{1}{f\left(v\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}}\ \ \ \ \ \ \ \ \ \ \text{for every }v\in\operatorname*{Rect}\left(p,q\right).$ (36) So let $v\in\operatorname*{Rect}\left(p,q\right)$. Thus, $v=\left(i,k\right)$ for some $i\in\left\\{1,2,...,p\right\\}$ and $k\in\left\\{1,2,...,q\right\\}$. Consider these $i$ and $k$. We must prove (36). We are clearly in one of the following four cases: Case 1: We have $v\neq\left(1,1\right)$ and $v\neq\left(p,q\right)$. Case 2: We have $v=\left(1,1\right)$ and $v\neq\left(p,q\right)$. Case 3: We have $v\neq\left(1,1\right)$ and $v=\left(p,q\right)$. Case 4: We have $v=\left(1,1\right)$ and $v=\left(p,q\right)$. Let us consider Case 1 first. In this case, we have $v\neq\left(1,1\right)$ and $v\neq\left(p,q\right)$. As a consequence, all elements $u\in\widehat{\operatorname*{Rect}\left(p,q\right)}$ satisfying $u\lessdot v$ belong to $\operatorname*{Rect}\left(p,q\right)$, and the same holds for all $u\in\widehat{\operatorname*{Rect}\left(p,q\right)}$ satisfying $u\gtrdot v$. Due to the specific form of the poset $\operatorname*{Rect}\left(p,q\right)$, there are at most two elements $u$ of $\widehat{\operatorname*{Rect}\left(p,q\right)}$ satisfying $u\lessdot v$, namely $\left(i,k-1\right)$ (which exists only if $k\neq 1$) and $\left(i-1,k\right)$ (which exists only if $i\neq 1$). Hence, the sum $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)$ takes one of the three forms $f\left(\left(i,k-1\right)\right)+f\left(\left(i-1,k\right)\right)$, $f\left(\left(i,k-1\right)\right)$ and $f\left(\left(i-1,k\right)\right)$. Due to Definition 13.9 (b), all of these three forms can be rewritten uniformly as $f\left(\left(i,k-1\right)\right)+f\left(\left(i-1,k\right)\right)$ (because if $\left(i,k-1\right)\notin\operatorname*{Rect}\left(p,q\right)$ then Definition 13.9 (b) guarantees that $f\left(\left(i,k-1\right)\right)=0$, and similarly $f\left(\left(i-1,k\right)\right)=0$ if $\left(i-1,k\right)\notin\operatorname*{Rect}\left(p,q\right)$). So we have $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)=f\left(\left(i,k-1\right)\right)+f\left(\left(i-1,k\right)\right).$ (37) Similarly, $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}=\dfrac{1}{g\left(\left(i,k+1\right)\right)}+\dfrac{1}{g\left(\left(i+1,k\right)\right)},$ (38) where we set $\dfrac{1}{\infty}=0$ as usual. But $f=\operatorname*{Grasp}\nolimits_{j+1}A$. Hence, $\displaystyle f\left(\left(i,k-1\right)\right)$ $\displaystyle=\left(\operatorname*{Grasp}\nolimits_{j+1}A\right)\left(\left(i,k-1\right)\right)$ $\displaystyle=\dfrac{\det\left(A\left[\left(j+1\right)+1:\left(j+1\right)+i\mid\left(j+1\right)+i+\left(k-1\right)-1:\left(j+1\right)+p+\left(k-1\right)\right]\right)}{\det\left(A\left[j+1:\left(j+1\right)+i\mid\left(j+1\right)+i+\left(k-1\right):\left(j+1\right)+p+\left(k-1\right)\right]\right)}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{by the definition of }\operatorname*{Grasp}\nolimits_{j+1}A\right)$ $\displaystyle=\dfrac{\det\left(A\left[j+2:j+i+1\mid j+i+k-1:j+p+k\right]\right)}{\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)}$ and $\displaystyle f\left(\left(i-1,k\right)\right)$ $\displaystyle=\left(\operatorname*{Grasp}\nolimits_{j+1}A\right)\left(\left(i-1,k\right)\right)$ $\displaystyle=\dfrac{\det\left(A\left[\left(j+1\right)+1:\left(j+1\right)+\left(i-1\right)\mid\left(j+1\right)+\left(i-1\right)+k-1:\left(j+1\right)+p+k\right]\right)}{\det\left(A\left[j+1:\left(j+1\right)+\left(i-1\right)\mid\left(j+1\right)+\left(i-1\right)+k:\left(j+1\right)+p+k\right]\right)}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{by the definition of }\operatorname*{Grasp}\nolimits_{j+1}A\right)$ $\displaystyle=\dfrac{\det\left(A\left[j+2:j+i\mid j+i+k-1:j+p+k+1\right]\right)}{\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)}.$ Due to these two equalities, (37) becomes $\displaystyle\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)$ $\displaystyle=\dfrac{\det\left(A\left[j+2:j+i+1\mid j+i+k-1:j+p+k\right]\right)}{\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ +\dfrac{\det\left(A\left[j+2:j+i\mid j+i+k-1:j+p+k+1\right]\right)}{\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)}$ $\displaystyle=\left(\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)\right)^{-1}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\left(\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)\right)^{-1}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\left(\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)\right.$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left.\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+2:j+i+1\mid j+i+k-1:j+p+k\right]\right)\right.$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left.+\det\left(A\left[j+2:j+i\mid j+i+k-1:j+p+k+1\right]\right)\right.$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left.\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)\right)$ $\displaystyle=\left(\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)\right)^{-1}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\left(\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)\right)^{-1}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+1:j+i\mid j+i+k-1:j+p+k\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+2:j+i+1\mid j+i+k:j+p+k+1\right]\right)$ (39) (because applying Theorem 14.1 to $a=j+2$, $b=j+i$, $c=j+i+k$ and $d=j+p+k$ yields $\displaystyle\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+2:j+i+1\mid j+i+k-1:j+p+k\right]\right)$ $\displaystyle+\det\left(A\left[j+2:j+i\mid j+i+k-1:j+p+k+1\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)$ $\displaystyle=\det\left(A\left[j+1:j+i\mid j+i+k-1:j+p+k\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+2:j+i+1\mid j+i+k:j+p+k+1\right]\right)$ ). On the other hand, $g=\operatorname*{Grasp}\nolimits_{j}A$, so that $\displaystyle g\left(\left(i,k+1\right)\right)$ $\displaystyle=\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(i,k+1\right)\right)=\dfrac{\det\left(A\left[j+1:j+i\mid j+i+\left(k+1\right)-1:j+p+\left(k+1\right)\right]\right)}{\det\left(A\left[j:j+i\mid j+i+\left(k+1\right):j+p+\left(k+1\right)\right]\right)}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{by the definition of }\operatorname*{Grasp}\nolimits_{j}A\right)$ $\displaystyle=\dfrac{\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)}{\det\left(A\left[j:j+i\mid j+i+k+1:j+p+k+1\right]\right)}$ and therefore $\dfrac{1}{g\left(\left(i,k+1\right)\right)}=\dfrac{\det\left(A\left[j:j+i\mid j+i+k+1:j+p+k+1\right]\right)}{\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)}.$ (40) Also, from $g=\operatorname*{Grasp}\nolimits_{j}A$, we obtain $\displaystyle g\left(\left(i+1,k\right)\right)$ $\displaystyle=\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(i-1,k\right)\right)=\dfrac{\det\left(A\left[j+1:j+\left(i+1\right)\mid j+\left(i+1\right)+k-1:j+p+k\right]\right)}{\det\left(A\left[j:j+\left(i+1\right)\mid j+\left(i+1\right)+k:j+p+k\right]\right)}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{by the definition of }\operatorname*{Grasp}\nolimits_{j}A\right)$ $\displaystyle=\dfrac{\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)}{\det\left(A\left[j:j+i+1\mid j+i+k+1:j+p+k\right]\right)},$ so that $\dfrac{1}{g\left(\left(i+1,k\right)\right)}=\dfrac{\det\left(A\left[j:j+i+1\mid j+i+k+1:j+p+k\right]\right)}{\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)}.$ (41) Due to (40) and (41), the equality (38) becomes $\displaystyle\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}$ $\displaystyle=\dfrac{\det\left(A\left[j:j+i\mid j+i+k+1:j+p+k+1\right]\right)}{\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ +\dfrac{\det\left(A\left[j:j+i+1\mid j+i+k+1:j+p+k\right]\right)}{\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)}$ $\displaystyle=\left(\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)\right)^{-1}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\left(\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)\right)^{-1}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\left(\det\left(A\left[j:j+i\mid j+i+k+1:j+p+k+1\right]\right)\right.$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left.\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)\right.$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left.+\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)\right.$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left.\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j:j+i+1\mid j+i+k+1:j+p+k\right]\right)\right)$ $\displaystyle=\left(\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)\right)^{-1}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\left(\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)\right)^{-1}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j:j+i\mid j+i+k:j+p+k\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+1:j+i+1\mid j+i+k+1:j+p+k+1\right]\right)$ (42) (because applying Theorem 14.1 to $a=j+1$, $b=j+i$, $c=j+i+k+1$ and $d=j+p+k$ yields $\displaystyle\det\left(A\left[j:j+i\mid j+i+k+1:j+p+k+1\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)$ $\displaystyle+\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j:j+i+1\mid j+i+k+1:j+p+k\right]\right)$ $\displaystyle=\det\left(A\left[j:j+i\mid j+i+k:j+p+k\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+1:j+i+1\mid j+i+k+1:j+p+k+1\right]\right)$ ). Since $v=\left(i,k\right)$ and $g=\operatorname*{Grasp}\nolimits_{j}A$, we have $\displaystyle g\left(v\right)$ $\displaystyle=\left(\operatorname*{Grasp}\nolimits_{j}A\right)\left(\left(i,k\right)\right)=\dfrac{\det\left(A\left[j+1:j+i\mid j+i+k-1:j+p+k\right]\right)}{\det\left(A\left[j:j+i\mid j+i+k:j+p+k\right]\right)}$ (43) $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{by the definition of }\operatorname*{Grasp}\nolimits_{j}A\right).$ Since $v=\left(i,k\right)$ and $f=\operatorname*{Grasp}\nolimits_{j+1}A$, we have $\displaystyle f\left(v\right)$ $\displaystyle=\left(\operatorname*{Grasp}\nolimits_{j+1}A\right)\left(\left(i,k\right)\right)$ $\displaystyle=\dfrac{\det\left(A\left[\left(j+1\right)+1:\left(j+1\right)+i\mid\left(j+1\right)+i+k-1:\left(j+1\right)+p+k\right]\right)}{\det\left(A\left[j+1:\left(j+1\right)+i\mid\left(j+1\right)+i+k:\left(j+1\right)+p+k\right]\right)}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{by the definition of }\operatorname*{Grasp}\nolimits_{j+1}A\right)$ $\displaystyle=\dfrac{\det\left(A\left[j+2:j+i+1\mid j+i+k:j+p+k+1\right]\right)}{\det\left(A\left[j+1:j+i+1\mid j+i+k+1:j+p+k+1\right]\right)}.$ (44) Now, we can rewrite the terms $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)$, $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}$, $g\left(v\right)$ and $f\left(v\right)$ in (36) using the equalities (39), (42), (43) and (44), respectively. The resulting equation is a tautology because all determinants cancel out (this can be checked by the reader). Hence, (36) is proven in Case 1. Let us now consider Case 3. In this case, we have $v\neq\left(1,1\right)$ and $v=\left(p,q\right)$. Hence, (39), (43) and (44) are still valid, whereas (42) gets superseded by the simpler equality $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}=\dfrac{1}{g\left(1\right)}=\dfrac{1}{1}=1.$ (45) Now, we can rewrite the terms $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)$, $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}$, $g\left(v\right)$ and $f\left(v\right)$ in (36) using the equalities (39), (45), (43) and (44), respectively. The resulting equation (after multiplying through with all denominators and cancelling terms appearing on both sides) simplifies to $\displaystyle\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right)$ $\displaystyle=\det\left(A\left[j+1:j+i+1\mid j+i+k+1:j+p+k+1\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j:j+i\mid j+i+k:j+p+k\right]\right).$ Since $i=p$ and $k=q$ (because $\left(i,k\right)=v=\left(p,q\right)$), this rewrites as $\displaystyle\det\left(A\left[j+1:j+p+1\mid j+p+q:j+p+q\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+1:j+p\mid j+p+q:j+p+q+1\right]\right)$ $\displaystyle=\det\left(A\left[j+1:j+p+1\mid j+p+q+1:j+p+q+1\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j:j+p\mid j+p+q:j+p+q\right]\right).$ But this follows from $\displaystyle\det\left(A\left[j+1:j+p+1\mid j+p+q:j+p+q\right]\right)$ $\displaystyle=\det\left(A\left[j+1:j+p+1\mid j+p+q+1:j+p+q+1\right]\right)$ (which is clear from Proposition 13.7 (b)) and $\displaystyle\det\left(A\left[j+1:j+p\mid j+p+q:j+p+q+1\right]\right)$ $\displaystyle=\det\left(A\left[j:j+p\mid j+p+q:j+p+q\right]\right)$ (which can be easily proven333333Proof. We have $\displaystyle\det\left(A\left[j+1:j+p\mid j+p+q:j+p+q+1\right]\right)$ $\displaystyle=\det\left(A\left[j+1:j+p\mid p+q+j:p+q+j+1\right]\right)=\det\left(\underbrace{A\left[j:j+1\mid j+1:j+p\right]}_{\begin{subarray}{c}=A\left[j:j+p\mid j+p+q:j+p+q\right]\\\ \text{(by Proposition \ref{prop.minors.trivial} {(c)})}\end{subarray}}\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{by Proposition \ref{prop.minors.period} {(c)}, applied to }u=p\text{, }v=p+q\text{, }a=j+1\text{, }b=j+p\text{, }c=j\text{ and }d=j+1\right)$ $\displaystyle=\det\left(A\left[j:j+p\mid j+p+q:j+p+q\right]\right),$ qed.). Thus, (36) is proven in Case 3. Let us next consider Case 2. In this case, we have $v=\left(1,1\right)$ and $v\neq\left(p,q\right)$. Hence, (42), (43) and (44) are still valid, whereas (39) gets superseded by the simpler equality $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)=f\left(0\right)=1.$ (46) Now, we can rewrite the terms $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)$, $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,q\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}$, $g\left(v\right)$ and $f\left(v\right)$ in (36) using the equalities (46), (42), (43) and (44), respectively. The resulting equation (after multiplying through with all denominators and cancelling terms appearing on both sides) simplifies to $\displaystyle\det\left(A\left[j+1:j+i\mid j+i+k-1:j+p+k\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+2:j+i+1\mid j+i+k:j+p+k+1\right]\right)$ $\displaystyle=\det\left(A\left[j+1:j+i+1\mid j+i+k:j+p+k\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+1:j+i\mid j+i+k:j+p+k+1\right]\right).$ Since $i=1$ and $k=1$ (because $\left(i,k\right)=v=\left(1,1\right)$), this rewrites as $\displaystyle\det\left(A\left[j+1:j+1\mid j+1+1-1:j+p+1\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+2:j+1+1\mid j+1+1:j+p+1+1\right]\right)$ $\displaystyle=\det\left(A\left[j+1:j+1+1\mid j+1+1:j+p+1\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+1:j+1\mid j+1+1:j+p+1+1\right]\right).$ In other words, this rewrites as $\displaystyle\det\left(A\left[j+1:j+1\mid j+1:j+p+1\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+2:j+2\mid j+2:j+p+2\right]\right)$ $\displaystyle=\det\left(A\left[j+1:j+2\mid j+2:j+p+1\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \cdot\det\left(A\left[j+1:j+1\mid j+2:j+p+2\right]\right).$ But this trivially follows from $\det\left(A\left[j+1:j+1\mid j+1:j+p+1\right]\right)=\det\left(A\left[j+1:j+2\mid j+2:j+p+1\right]\right)$ (this is because of Proposition 13.6) and $\det\left(A\left[j+2:j+2\mid j+2:j+p+2\right]\right)=\det\left(A\left[j+1:j+1\mid j+2:j+p+2\right]\right)$ (this is because of Proposition 13.7 (a)). This proves (36) in Case 2. We have now proven (36) in each of the Cases 1, 2 and 3\. We leave the proof in Case 4 to the reader (this case is completely straightforward, since it has $\left(p,q\right)=v=\left(1,1\right)$). Thus, we now know that (36) holds in each of the four Cases 1, 2, 3 and 4. Since these four Cases cover all possibilities, this yields that (36) always holds. As we have seen, this completes the proof of Proposition 13.13. ∎ A remark seems in order, about why we paid so much attention to the “degenerate” Cases 2, 3 and 4. Indeed, only in Cases 3 and 4 have we used the fact that the sequence $\left(A_{n}\right)_{n\in\mathbb{Z}}$ is “$\left(p+q\right)$-periodic up to sign” rather than just an arbitrary sequence of length-$p$ column vectors. Had we left out these seemingly straightforward cases, it would have seemed that the proof showed a result too good to be true (because it is rather clear that the periodicity in the definition of $A_{n}$ for general $n\in\mathbb{Z}$ is needed). ## 15 Dominance of the Grassmannian parametrization Let us show an example before we start proving Proposition 13.14. ###### Example 15.1. For this example, let $p=2$ and $q=2$. Let $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(2,2\right)}}$ be a generic reduced labelling. We want to construct a matrix $A\in\mathbb{K}^{2\times\left(2+2\right)}$ satisfying $f=\operatorname*{Grasp}\nolimits_{0}A$. Clearly, the condition $f=\operatorname*{Grasp}\nolimits_{0}A$ imposes $4$ equations on the entries of $A$ (one for every element of $\operatorname*{Rect}\left(2,2\right)$). Since the matrix $A$ we want to find has a total of $8$ entries, we are therefore trying to solve an underdetermined system. However, we can get rid of the superfluous freedom if we additionally try to ensure that our matrix $A$ has the form $\left(I_{p}\mid B\right)$ for some $B\in\mathbb{K}^{2\times 2}$ (where $\left(I_{p}\mid B\right)$ means the matrix obtained from the $p\times p$ identity matrix $I_{p}$ by attaching the matrix $B$ to it on the right). Let us do this now. So we are looking for a matrix $B\in\mathbb{K}^{2\times 2}$ satisfying $f=\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid B\right)$. This puts $4$ conditions on $4$ unknowns. Write $B=\left(\begin{array}[c]{cc}x&y\\\ z&w\end{array}\right)$. Then, $\left(I_{p}\mid B\right)=\left(\begin{array}[c]{cccc}1&0&x&y\\\ 0&1&z&w\end{array}\right)$. Now, $\displaystyle\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid B\right)\right)\left(\left(1,1\right)\right)$ $\displaystyle=\dfrac{\det\left(\left(I_{p}\mid B\right)\left[1:1\mid 1:3\right]\right)}{\det\left(\left(I_{p}\mid B\right)\left[0:1\mid 2:3\right]\right)}=\dfrac{\det\left(\begin{array}[c]{cc}1&0\\\ 0&1\end{array}\right)}{\det\left(\begin{array}[c]{cc}-y&0\\\ -w&1\end{array}\right)}=\dfrac{-1}{y};$ $\displaystyle\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid B\right)\right)\left(\left(1,2\right)\right)$ $\displaystyle=\dfrac{\det\left(\left(I_{p}\mid B\right)\left[1:1\mid 2:4\right]\right)}{\det\left(\left(I_{p}\mid B\right)\left[0:1\mid 3:4\right]\right)}=\dfrac{\det\left(\begin{array}[c]{cc}0&x\\\ 1&z\end{array}\right)}{\det\left(\begin{array}[c]{cc}-y&x\\\ -w&z\end{array}\right)}=\dfrac{-x}{wx-yz};$ $\displaystyle\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid B\right)\right)\left(\left(2,1\right)\right)$ $\displaystyle=\dfrac{\det\left(\left(I_{p}\mid B\right)\left[1:2\mid 2:3\right]\right)}{\det\left(\left(I_{p}\mid B\right)\left[0:2\mid 3:3\right]\right)}=\dfrac{\det\left(\begin{array}[c]{cc}1&0\\\ 0&1\end{array}\right)}{\det\left(\begin{array}[c]{cc}-y&1\\\ -w&0\end{array}\right)}=\dfrac{1}{w};$ $\displaystyle\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid B\right)\right)\left(\left(2,2\right)\right)$ $\displaystyle=\dfrac{\det\left(\left(I_{p}\mid B\right)\left[1:2\mid 3:4\right]\right)}{\det\left(\left(I_{p}\mid B\right)\left[0:2\mid 4:4\right]\right)}=\dfrac{\det\left(\begin{array}[c]{cc}1&x\\\ 0&z\end{array}\right)}{\det\left(\begin{array}[c]{cc}-y&1\\\ -w&0\end{array}\right)}=\dfrac{z}{w}.$ The requirement $f=\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid B\right)$ therefore translates into the system $\left\\{\begin{array}[c]{lcl}f\left(\left(1,1\right)\right)&=&\dfrac{-1}{y};\\\ f\left(\left(1,2\right)\right)&=&\dfrac{-x}{wx-yz};\\\ f\left(\left(2,1\right)\right)&=&\dfrac{1}{w};\\\\[9.0pt] f\left(\left(2,2\right)\right)&=&\dfrac{z}{w}\end{array}\right..$ This system can be solved by elimination: First, compute $w$ using $f\left(\left(2,1\right)\right)=\dfrac{1}{w}$, obtaining $w=\dfrac{1}{f\left(\left(2,1\right)\right)}$; then, compute $y$ using $f\left(\left(1,1\right)\right)=\dfrac{-1}{y}$, obtaining $y=\dfrac{-1}{f\left(\left(1,1\right)\right)}$; then, compute $z$ using $f\left(\left(2,2\right)\right)=\dfrac{z}{w}$ and the already eliminated $w$, obtaining $z=\dfrac{f\left(\left(2,2\right)\right)}{f\left(\left(2,1\right)\right)}$; finally, compute $x$ using $f\left(\left(1,2\right)\right)=\dfrac{-x}{wx-yz}$ and the already eliminated $w,y,z$, obtaining $x=\dfrac{-f\left(\left(1,2\right)\right)f\left(\left(2,2\right)\right)}{\left(f\left(\left(1,2\right)\right)+f\left(\left(2,1\right)\right)\right)f\left(\left(1,1\right)\right)}$. While the denominators in these fractions can vanish, leading to underdetermination or unsolvability, this will not happen for generic $f$. This approach to solving $f=\operatorname*{Grasp}\nolimits_{0}A$ generalizes to arbitrary $p$ and $q$, and motivates the following proof. We are now going to outline the proof of Proposition 13.14. As shouldn’t be surprising after Example 15.1, the underlying idea of the proof is the following: For any fixed $f\in\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$, the equation $f=\operatorname*{Grasp}\nolimits_{0}A$ (with $A$ an unknown matrix in $\mathbb{K}^{p\times\left(p+q\right)}$) can be considered as a system of $pq$ equations on $p\left(p+q\right)$ unknowns (the entries of $A$). While this system is usually underdetermined, we can restrict the entries of $A$ by requiring that the leftmost $p$ columns of $A$ form the $p\times p$ identity matrix. Upon this restriction, we are left with $pq$ unknowns only, and for $f$ sufficiently generic, the resulting system will be uniquely solvable by “triangular elimination” (i.e., there is an equation containing only one unknown; then, when this unknown is eliminated, the resulting system again contains an equation with only one unknown, and once this one is eliminated, one gets a further system containing an equation with only one unknown, and so forth) – like a triangular system of linear equations with nonzero entries on the diagonal, but without the linearity. Of course, this is not a complete proof because the applicability of “triangular elimination” has to be proven, not merely claimed. We are only going to sketch the ideas of this proof, leaving all straightforward details to the reader to fill in. For the sake of clarity, we are going to word the argument using algebraic properties of families of rational functions instead of using the algorithmic nature of “triangular elimination” (similarly to how most applications of linear algebra use the language of bases of vector spaces rather than talk about the process of solving systems by Gaussian elimination). While this clarity comes at the cost of a slight disconnect from the motivation of the proof, we hope that the reader will still see how the wind blows. We first introduce some notation to capture the essence of “triangular elimination” without having to talk about actually moving around variables in equations: ###### Definition 15.2. Let $\mathbb{F}$ be a field. Let $\mathbf{P}$ be a finite set. (a) Let $x_{\mathbf{p}}$ be a new symbol for every $\mathbf{p}\in\mathbf{P}$. We will denote by $\mathbb{F}\left(x_{\mathbf{P}}\right)$ the field of rational functions over $\mathbb{F}$ in the indeterminates $x_{\mathbf{p}}$ with $\mathbf{p}$ ranging over all elements of $\mathbf{P}$ (hence altogether $\left|\mathbf{P}\right|$ indeterminates). We also will denote by $\mathbb{F}\left[x_{\mathbf{P}}\right]$ the ring of polynomials over $\mathbb{F}$ in the indeterminates $x_{\mathbf{p}}$ with $\mathbf{p}$ ranging over all elements of $\mathbf{P}$. (Thus, $\mathbb{F}\left(x_{\mathbf{P}}\right)=\mathbb{F}\left(x_{\mathbf{p}_{1}},x_{\mathbf{p}_{2}},...,x_{\mathbf{p}_{n}}\right)$ and $\mathbb{F}\left[x_{\mathbf{P}}\right]=\mathbb{F}\left[x_{\mathbf{p}_{1}},x_{\mathbf{p}_{2}},...,x_{\mathbf{p}_{n}}\right]$ if $\mathbf{P}$ is written in the form $\mathbf{P}=\left\\{\mathbf{p}_{1},\mathbf{p}_{2},...,\mathbf{p}_{n}\right\\}$.) The symbols $x_{\mathbf{p}}$ are understood to be distinct, and are used as commuting indeterminates. We regard $\mathbb{F}\left[x_{\mathbf{P}}\right]$ as a subring of $\mathbb{F}\left(x_{\mathbf{P}}\right)$, and $\mathbb{F}\left(x_{\mathbf{P}}\right)$ as the field of quotients of $\mathbb{F}\left[x_{\mathbf{P}}\right]$. (b) If $\mathbf{Q}$ is a subset of $\mathbf{P}$, then $\mathbb{F}\left(x_{\mathbf{Q}}\right)$ can be canonically embedded into $\mathbb{F}\left(x_{\mathbf{P}}\right)$, and $\mathbb{F}\left[x_{\mathbf{Q}}\right]$ can be canonically embedded into $\mathbb{F}\left[x_{\mathbf{P}}\right]$. We regard these embeddings as inclusions. (c) Let $\mathbb{K}$ be a field extension of $\mathbb{F}$. Let $f$ be an element of $\mathbb{F}\left(x_{\mathbf{P}}\right)$. If $\left(a_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\in\mathbb{K}^{\mathbf{P}}$ is a family of elements of $\mathbb{K}$ indexed by elements of $\mathbf{P}$, then we let $f\left(\left(a_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)$ denote the element of $\mathbb{K}$ obtained by substituting $a_{\mathbf{p}}$ for $x_{\mathbf{p}}$ for each $\mathbf{p}\in\mathbf{P}$ in the rational function $f$. This $f\left(\left(a_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)$ is defined only if the substitution does not render the denominator equal to $0$. If $\mathbb{K}$ is infinite, this shows that $f\left(\left(a_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)$ is defined for almost all $\left(a_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\in\mathbb{K}^{\mathbf{P}}$ (with respect to the Zariski topology). (d) Let $\mathbf{P}$ now be a finite totally ordered set, and let $\vartriangleleft$ be the smaller relation of $\mathbf{P}$. For every $\mathbf{p}\in\mathbf{P}$, let $\mathbf{p}\Downarrow$ denote the subset $\left\\{\mathbf{v}\in\mathbf{P}\ \mid\ \mathbf{v}\vartriangleleft\mathbf{p}\right\\}$ of $\mathbf{P}$. For every $\mathbf{p}\in\mathbf{P}$, let $Q_{\mathbf{p}}$ be an element of $\mathbb{F}\left(x_{\mathbf{P}}\right)$. We say that the family $\left(Q_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$ is $\mathbf{P}$-triangular if and only if the following condition holds: Algebraic triangularity condition: For every $\mathbf{p}\in\mathbf{P}$, there exist elements $\alpha_{\mathbf{p}}$, $\beta_{\mathbf{p}}$, $\gamma_{\mathbf{p}}$, $\delta_{\mathbf{p}}$ of $\mathbb{F}\left(x_{\mathbf{p}\Downarrow}\right)$ such that $\alpha_{\mathbf{p}}\delta_{\mathbf{p}}-\beta_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$ and $Q_{\mathbf{p}}=\dfrac{\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}}{\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}}$. 343434Notice that the fraction $\dfrac{\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}}{\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}}$ is well-defined for any four elements $\alpha_{\mathbf{p}}$, $\beta_{\mathbf{p}}$, $\gamma_{\mathbf{p}}$, $\delta_{\mathbf{p}}$ of $\mathbb{F}\left(x_{\mathbf{p}\Downarrow}\right)$ such that $\alpha_{\mathbf{p}}\delta_{\mathbf{p}}-\beta_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$. (Indeed, $\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}\neq 0$ in this case, as can easily be checked.) We will use $\mathbf{P}$-triangularity via the following fact: ###### Lemma 15.3. Let $\mathbb{F}$ be a field. Let $\mathbf{P}$ be a finite totally ordered set. For every $\mathbf{p}\in\mathbf{P}$, let $Q_{\mathbf{p}}$ be an element of $\mathbb{F}\left(x_{\mathbf{P}}\right)$. Assume that $\left(Q_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$ is a $\mathbf{P}$-triangular family. Then: (a) The family $\left(Q_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{\mathbf{P}}$ is algebraically independent (over $\mathbb{F}$). (b) There exists a $\mathbf{P}$-triangular family $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{\mathbf{P}}$ such that every $\mathbf{q}\in\mathbf{P}$ satisfies $Q_{\mathbf{q}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=x_{\mathbf{q}}$. ###### Proof of Lemma 15.3 (sketched).. As in the definition of $\mathbf{P}$-triangularity, we let $\mathbf{p}\Downarrow$ denote the subset $\left\\{\mathbf{v}\in\mathbf{P}\ \mid\ \mathbf{v}\vartriangleleft\mathbf{p}\right\\}$ of $\mathbf{P}$ for every $\mathbf{p}\in\mathbf{P}$. (a) Assume that the family $\left(Q_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{\mathbf{P}}$ is not algebraically independent (over $\mathbb{F}$). Then, some nonzero polynomial $P\in\mathbb{F}\left[x_{\mathbf{P}}\right]$ satisfies $P\left(\left(Q_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=0$. Fix such a $P$, and let $\mathbf{u}$ be the maximal (with respect to the order on $\mathbf{P}$) element of $\mathbf{P}$ such that $x_{\mathbf{u}}$ appears in $P$ (meaning that the degree of $P$ with respect to the variable $x_{\mathbf{u}}$ is $>0$). Then, $P$ can be construed as a non-constant polynomial in the variable $x_{\mathbf{u}}$ over the ring $\mathbb{F}\left[x_{\mathbf{u}\Downarrow}\right]$. Hence, $P\left(\left(Q_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=0$ shows that $Q_{\mathbf{u}}$ is algebraic over the subfield of $\mathbb{F}\left(x_{\mathbf{P}}\right)$ generated by the elements $Q_{\mathbf{v}}$ for $\mathbf{v}\in\left.\mathbf{u}\Downarrow\right.$. Now, notice that every $\mathbf{v}\in\left.\mathbf{u}\Downarrow\right.$ satisfies $Q_{\mathbf{v}}\in\mathbb{F}\left(x_{\mathbf{u}\Downarrow}\right)$ 353535Proof. Let $\mathbf{v}\in\left.\mathbf{u}\Downarrow\right.$. Then, $\mathbf{v}\vartriangleleft\mathbf{u}$, so that $\left.\mathbf{v}\Downarrow\right.\subseteq\left.\mathbf{u}\Downarrow\right.$, hence $\mathbb{F}\left(x_{\mathbf{v}\Downarrow}\right)\subseteq\mathbb{F}\left(x_{\mathbf{u}\Downarrow}\right)$. By the algebraic triangularity condition, we know that there exist elements $\alpha_{\mathbf{v}}$, $\beta_{\mathbf{v}}$, $\gamma_{\mathbf{v}}$, $\delta_{\mathbf{v}}$ of $\mathbb{F}\left(x_{\mathbf{v}\Downarrow}\right)$ such that $\alpha_{\mathbf{v}}\delta_{\mathbf{v}}-\beta_{\mathbf{v}}\gamma_{\mathbf{v}}\neq 0$ and $Q_{\mathbf{v}}=\dfrac{\alpha_{\mathbf{v}}x_{\mathbf{v}}+\beta_{\mathbf{v}}}{\gamma_{\mathbf{v}}x_{\mathbf{v}}+\delta_{\mathbf{v}}}$. These elements $\alpha_{\mathbf{v}}$, $\beta_{\mathbf{v}}$, $\gamma_{\mathbf{v}}$, $\delta_{\mathbf{v}}$ belong to $\mathbb{F}\left(x_{\mathbf{u}\Downarrow}\right)$ (by virtue of lying in $\mathbb{F}\left(x_{\mathbf{v}\Downarrow}\right)\subseteq\mathbb{F}\left(x_{\mathbf{u}\Downarrow}\right)$), and so does $x_{\mathbf{v}}$ (since $\mathbf{v}\in\left.\mathbf{u}\Downarrow\right.$). Hence, the fraction $\dfrac{\alpha_{\mathbf{v}}x_{\mathbf{v}}+\beta_{\mathbf{v}}}{\gamma_{\mathbf{v}}x_{\mathbf{v}}+\delta_{\mathbf{v}}}$ also lies in $\mathbb{F}\left(x_{\mathbf{u}\Downarrow}\right)$. Since this fraction is $Q_{\mathbf{v}}$, we thus have shown $Q_{\mathbf{v}}\in\mathbb{F}\left(x_{\mathbf{u}\Downarrow}\right)$, qed.. Hence, the subfield of $\mathbb{F}\left(x_{\mathbf{P}}\right)$ generated by the elements $Q_{\mathbf{v}}$ for $\mathbf{v}\in\left.\mathbf{u}\Downarrow\right.$ is a subfield of $\mathbb{F}\left(x_{\mathbf{u}\Downarrow}\right)$. Since $Q_{\mathbf{u}}$ is algebraic over the former field, we thus conclude that $Q_{\mathbf{u}}$ is “all the more” algebraic over the latter field. But by the algebraic triangularity condition, there exist elements $\alpha_{\mathbf{u}}$, $\beta_{\mathbf{u}}$, $\gamma_{\mathbf{u}}$, $\delta_{\mathbf{u}}$ of $\mathbb{F}\left(x_{\mathbf{u}\Downarrow}\right)$ such that $\alpha_{\mathbf{u}}\delta_{\mathbf{u}}-\beta_{\mathbf{u}}\gamma_{\mathbf{u}}\neq 0$ and $Q_{\mathbf{u}}=\dfrac{\alpha_{\mathbf{u}}x_{\mathbf{u}}+\beta_{\mathbf{u}}}{\gamma_{\mathbf{u}}x_{\mathbf{u}}+\delta_{\mathbf{u}}}$. We can easily solve the equation $Q_{\mathbf{u}}=\dfrac{\alpha_{\mathbf{u}}x_{\mathbf{u}}+\beta_{\mathbf{u}}}{\gamma_{\mathbf{u}}x_{\mathbf{u}}+\delta_{\mathbf{u}}}$ for $x_{\mathbf{u}}$ and obtain $x_{\mathbf{u}}=\dfrac{Q_{\mathbf{u}}\delta_{\mathbf{u}}-\beta_{\mathbf{u}}}{\alpha_{\mathbf{u}}-Q_{\mathbf{u}}\gamma_{\mathbf{u}}}$ (and the denominator here does not vanish because of $\alpha_{\mathbf{u}}\delta_{\mathbf{u}}-\beta_{\mathbf{u}}\gamma_{\mathbf{u}}\neq 0$). Therefore, $x_{\mathbf{u}}$ is algebraic over the field $\mathbb{F}\left(x_{\mathbf{u}\Downarrow}\right)$ (because we know $Q_{\mathbf{u}}$ to be algebraic over this field, whereas $\alpha_{\mathbf{u}}$, $\beta_{\mathbf{u}}$, $\gamma_{\mathbf{u}}$, $\delta_{\mathbf{u}}$ lie in that field). But this is absurd since $\mathbf{u}\notin\left.\mathbf{u}\Downarrow\right.$. This contradiction shows that our assumption was wrong, and Lemma 15.3 (a) is proven. (b) We will construct the required family $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{\mathbf{P}}$ by induction. Of course, this is trivial if $\mathbf{P}=\varnothing$, so let us assume that $\mathbf{P}$ is nonempty. Let $\mathbf{m}$ be the maximum element of $\mathbf{P}$, and let us assume that we have already constructed a $\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}$-triangular family $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\in\left(\mathbb{F}\left(x_{\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right)\right)^{\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}$ such that every $\mathbf{q}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}$ satisfies $Q_{\mathbf{q}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right)=x_{\mathbf{q}}$. We now only need to find an element $R_{\mathbf{m}}\in\mathbb{F}\left(x_{\mathbf{P}}\right)$ such that the resulting family $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{\mathbf{P}}$ will be $\mathbf{P}$-triangular and satisfy $Q_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=x_{\mathbf{m}}$. Since $\mathbf{m}$ is maximum, we have $\left.\mathbf{m}\Downarrow\right.=\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}$. We know that the family $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}$ is $\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}$-triangular. Hence, Lemma 15.3 (a) (applied to this family) yields that the family $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}$ is algebraically independent. This yields that it can be substituted into any rational function in $\mathbb{F}\left(x_{\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right)$ (without running the risk of denominators becoming $0$). The family $\left(Q_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$ is $\mathbf{P}$-triangular, so that (by the algebraic triangularity condition) there exist elements $\alpha_{\mathbf{m}}$, $\beta_{\mathbf{m}}$, $\gamma_{\mathbf{m}}$, $\delta_{\mathbf{m}}$ of $\mathbb{F}\left(x_{\mathbf{m}\Downarrow}\right)$ such that $\alpha_{\mathbf{m}}\delta_{\mathbf{m}}-\beta_{\mathbf{m}}\gamma_{\mathbf{m}}\neq 0$ and $Q_{\mathbf{m}}=\dfrac{\alpha_{\mathbf{m}}x_{\mathbf{m}}+\beta_{\mathbf{m}}}{\gamma_{\mathbf{m}}x_{\mathbf{m}}+\delta_{\mathbf{m}}}$. Consider these $\alpha_{\mathbf{m}}$, $\beta_{\mathbf{m}}$, $\gamma_{\mathbf{m}}$, $\delta_{\mathbf{m}}$. Now, define four elements $\alpha_{\mathbf{m}}^{\prime}$, $\beta_{\mathbf{m}}^{\prime}$, $\gamma_{\mathbf{m}}^{\prime}$, $\delta_{\mathbf{m}}^{\prime}$ of $\mathbb{F}\left(x_{\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right)$ by $\displaystyle\alpha_{\mathbf{m}}^{\prime}$ $\displaystyle=\delta_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right),\ \ \ \ \ \ \ \ \ \ \beta_{\mathbf{m}}^{\prime}=-\beta_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right),$ $\displaystyle\gamma_{\mathbf{m}}^{\prime}$ $\displaystyle=-\gamma_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right),\ \ \ \ \ \ \ \ \ \ \delta_{\mathbf{m}}^{\prime}=\alpha_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right).$ Note that these are well-defined (because $\alpha_{\mathbf{m}}$, $\beta_{\mathbf{m}}$, $\gamma_{\mathbf{m}}$, $\delta_{\mathbf{m}}$ belong to $\mathbb{F}\left(x_{\mathbf{m}\Downarrow}\right)=\mathbb{F}\left(x_{\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right)$ and because the family $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}$ is algebraically independent) and belong to $\mathbb{F}\left(x_{\mathbf{m}\Downarrow}\right)$ (since $\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}=\left.\mathbf{m}\Downarrow\right.$). They furthermore satisfy $\displaystyle\alpha_{\mathbf{m}}^{\prime}\delta_{\mathbf{m}}^{\prime}-\beta_{\mathbf{m}}^{\prime}\gamma_{\mathbf{m}}^{\prime}$ $\displaystyle=\delta_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right)\cdot\alpha_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right)-\left(-\beta_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right)\right)\left(-\gamma_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right)\right)$ $\displaystyle=\underbrace{\left(\delta_{\mathbf{m}}\alpha_{\mathbf{m}}-\left(-\beta_{\mathbf{m}}\right)\left(-\gamma_{\mathbf{m}}\right)\right)}_{=\alpha_{\mathbf{m}}\delta_{\mathbf{m}}-\beta_{\mathbf{m}}\gamma_{\mathbf{m}}\neq 0}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right)\neq 0$ (since $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}$ is algebraically independent). Let us now define $R_{\mathbf{m}}=\dfrac{\alpha_{\mathbf{m}}^{\prime}x_{\mathbf{m}}+\beta_{\mathbf{m}}^{\prime}}{\gamma_{\mathbf{m}}^{\prime}x_{\mathbf{m}}+\delta_{\mathbf{m}}^{\prime}}$. (This is easily seen to be well-defined because $\alpha_{\mathbf{m}}^{\prime}\delta_{\mathbf{m}}^{\prime}-\beta_{\mathbf{m}}^{\prime}\gamma_{\mathbf{m}}^{\prime}\neq 0$ entails $\left(\gamma_{\mathbf{m}}^{\prime},\delta_{\mathbf{m}}^{\prime}\right)\neq\left(0,0\right)$.) Since the family $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}$ is already $\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}$-triangular, and because of the fact that $\alpha_{\mathbf{m}}^{\prime}$, $\beta_{\mathbf{m}}^{\prime}$, $\gamma_{\mathbf{m}}^{\prime}$, $\delta_{\mathbf{m}}^{\prime}$ are elements of $\mathbb{F}\left(x_{\mathbf{m}\Downarrow}\right)$ satisfying $\alpha_{\mathbf{m}}^{\prime}\delta_{\mathbf{m}}^{\prime}-\beta_{\mathbf{m}}^{\prime}\gamma_{\mathbf{m}}^{\prime}\neq 0$ and $R_{\mathbf{m}}=\dfrac{\alpha_{\mathbf{m}}^{\prime}x_{\mathbf{m}}+\beta_{\mathbf{m}}^{\prime}}{\gamma_{\mathbf{m}}^{\prime}x_{\mathbf{m}}+\delta_{\mathbf{m}}^{\prime}}$, we see that the family $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{\mathbf{P}}$ is $\mathbf{P}$-triangular. We are now going to prove that $Q_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=x_{\mathbf{m}}$, and then we will be done. Since $Q_{\mathbf{m}}=\dfrac{\alpha_{\mathbf{m}}x_{\mathbf{m}}+\beta_{\mathbf{m}}}{\gamma_{\mathbf{m}}x_{\mathbf{m}}+\delta_{\mathbf{m}}}$, we have $Q_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=\dfrac{\alpha_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)R_{\mathbf{m}}+\beta_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)}{\gamma_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)R_{\mathbf{m}}+\delta_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)}.$ (47) But $\alpha_{\mathbf{m}}\in\mathbb{F}\left(x_{\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right)$, so that the variable $x_{\mathbf{m}}$ does not appear in $\alpha_{\mathbf{m}}$ at all. Hence, $\alpha_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=\alpha_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}\setminus\left\\{\mathbf{m}\right\\}}\right)=\delta_{\mathbf{m}}^{\prime}$. Using this and the similarly proven equalities $\beta_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=-\beta_{\mathbf{m}}^{\prime}$, $\gamma_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=-\gamma_{\mathbf{m}}^{\prime}$ and $\delta_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=\alpha_{\mathbf{m}}^{\prime}$, we can rewrite the equality (47) as $Q_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=\dfrac{\delta_{\mathbf{m}}^{\prime}R_{\mathbf{m}}-\beta_{\mathbf{m}}^{\prime}}{-\gamma_{\mathbf{m}}^{\prime}R_{\mathbf{m}}+\alpha_{\mathbf{m}}^{\prime}}.$ But the right hand side of this equality simplifies to $x_{\mathbf{m}}$ if we recall that $R_{\mathbf{m}}=\dfrac{\alpha_{\mathbf{m}}^{\prime}x_{\mathbf{m}}+\beta_{\mathbf{m}}^{\prime}}{\gamma_{\mathbf{m}}^{\prime}x_{\mathbf{m}}+\delta_{\mathbf{m}}^{\prime}}$ (the proof of this is mechanical, using no properties of $\alpha_{\mathbf{m}}^{\prime}$, $\beta_{\mathbf{m}}^{\prime}$, $\gamma_{\mathbf{m}}^{\prime}$, $\delta_{\mathbf{m}}^{\prime}$ and $x_{\mathbf{m}}$ other than lying in a field). Hence, we have shown that $Q_{\mathbf{m}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=x_{\mathbf{m}}$. As explained above, this completes the (inductive) proof of Lemma 15.3 (b). ∎ We now can proceed to the proof of Proposition 13.14: ###### Proof of Proposition 13.14 (sketched).. Let $\mathbb{F}$ be the prime field of $\mathbb{K}$. (This means either $\mathbb{Q}$ or $\mathbb{F}_{p}$ depending on the characteristic of $\mathbb{K}$.) In the following, the word “algebraically independent” will always mean “algebraically independent over $\mathbb{F}$” (rather than over $\mathbb{K}$ or over $\mathbb{Z}$). Let $\mathbf{P}$ be a totally ordered set such that $\mathbf{P}=\left\\{1,2,...,p\right\\}\times\left\\{1,2,...,q\right\\}\text{ as sets,}$ and such that $\left(i,k\right)\trianglelefteq\left(i^{\prime},k^{\prime}\right)\text{ for all }\left(i,k\right)\in\mathbf{P}\text{ and }\left(i^{\prime},k^{\prime}\right)\in\mathbf{P}\text{ satisfying }\left(i\geqslant i^{\prime}\text{ and }k\leqslant k^{\prime}\right),$ where $\trianglelefteq$ denotes the smaller-or-equal relation of $\mathbf{P}$. Such a $\mathbf{P}$ clearly exists (in fact, there usually exist several such $\mathbf{P}$, and it doesn’t matter which of them we choose). We denote the smaller relation of $\mathbf{P}$ by $\vartriangleleft$. We will later see what this total order is good for (intuitively, it is an order in which the variables can be eliminated; in other words, it makes our system behave like a triangular matrix rather than like a triangular matrix with permuted columns), but for now let us notice that it is generally not compatible with $\operatorname*{Rect}\left(p,q\right)$. Let $Z:\left\\{1,2,...,q\right\\}\rightarrow\left\\{1,2,...,q\right\\}$ denote the map which sends every $k\in\left\\{1,2,...,q-1\right\\}$ to $k+1$ and sends $q$ to $1$. Thus, $Z$ is a permutation in the symmetric group $S_{q}$, and can be written in cycle notation as $\left(1,2,...,q\right)$. Consider the field $\mathbb{F}\left(x_{\mathbf{P}}\right)$ and the ring $\mathbb{F}\left[x_{\mathbf{P}}\right]$ defined as in Definition 15.2. Recall that we need to prove Proposition 13.14. In other words, we need to show that for almost every $f\in\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$, there exists a matrix $A\in\mathbb{K}^{p\times\left(p+q\right)}$ satisfying $f=\operatorname*{Grasp}\nolimits_{0}A$. In order to prove this, it is enough to show that there exists a matrix $\widetilde{D}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{p\times\left(p+q\right)}$ satisfying $x_{\mathbf{p}}=\left(\operatorname*{Grasp}\nolimits_{0}\widetilde{D}\right)\left(\mathbf{p}\right)\ \ \ \ \ \ \ \ \ \ \text{for every }\mathbf{p}\in\mathbf{P}\text{.}$ (48) Indeed, once the existence of such a matrix $\widetilde{D}$ is proven, we will be able to obtain a matrix $A\in\mathbb{K}^{p\times\left(p+q\right)}$ satisfying $f=\operatorname*{Grasp}\nolimits_{0}A$ for almost every $f\in\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$ simply by substituting $f\left(\mathbf{p}\right)$ for every $x_{\mathbf{p}}$ in all entries of the matrix $\widetilde{D}$ 363636Indeed, this matrix $A$ (obtained by substitution of $f\left(\mathbf{p}\right)$ for $x_{\mathbf{p}}$) will be well-defined for almost every $f\in\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$ (the “almost” is due to the possibility of some denominators becoming $0$), and will satisfy $f\left(\mathbf{p}\right)=\left(\operatorname*{Grasp}\nolimits_{0}A\right)\left(\mathbf{p}\right)$ for every $\mathbf{p}\in\mathbf{P}$ (because $\widetilde{D}$ satisfies (48)), that is, $f=\operatorname*{Grasp}\nolimits_{0}A$.. Hence, all we need to show is the existence of a matrix $\widetilde{D}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{p\times\left(p+q\right)}$ satisfying (48). Define a matrix $C\in\left(\mathbb{F}\left[x_{\mathbf{P}}\right]\right)^{p\times q}$ by $C=\left(x_{\left(i,Z\left(k\right)\right)}\right)_{1\leqslant i\leqslant p,\ 1\leqslant k\leqslant q}.$ This is simply a matrix whose entries are all the indeterminates $x_{\mathbf{p}}$ of the polynomial ring $\mathbb{F}\left[x_{\mathbf{P}}\right]$, albeit in a strange order. (The order, again, is tailored to make the “triangularity” argument work nicely. This matrix $C$ is not going to be directly related to the $\widetilde{D}$ we will construct, but will be used in its construction.) For every $\left(i,k\right)\in\mathbf{P}$, define an element $\mathfrak{N}_{\left(i,k\right)}\in\mathbb{F}\left[x_{\mathbf{P}}\right]$ by $\mathfrak{N}_{\left(i,k\right)}=\det\left(\left(I_{p}\mid C\right)\left[1:i\mid i+k-1:p+k\right]\right).$ (49) For every $\left(i,k\right)\in\mathbf{P}$, define an element $\mathfrak{D}_{\left(i,k\right)}\in\mathbb{F}\left[x_{\mathbf{P}}\right]$ by $\mathfrak{D}_{\left(i,k\right)}=\det\left(\left(I_{p}\mid C\right)\left[0:i\mid i+k:p+k\right]\right).$ (50) Our plan from here is the following: Step 1: We will find alternate expressions for the polynomials $\mathfrak{N}_{\left(i,k\right)}$ and $\mathfrak{D}_{\left(i,k\right)}$ which will give us a better idea of what variables occur in these polynomials. Step 2: We will show that $\mathfrak{N}_{\left(i,k\right)}$ and $\mathfrak{D}_{\left(i,k\right)}$ are nonzero for all $\left(i,k\right)\in\mathbf{P}$. Step 3: We will define a $Q_{\mathbf{p}}\in\mathbb{F}\left(x_{\mathbf{P}}\right)$ for every $\mathbf{p}\in\mathbf{P}$ by $Q_{\mathbf{p}}=\dfrac{\mathfrak{N}_{\mathbf{p}}}{\mathfrak{D}_{\mathbf{p}}}$, and we will show that $Q_{\mathbf{p}}=\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid C\right)\right)\left(\mathbf{p}\right)$. Step 4: We will prove that the family $\left(Q_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{\mathbf{P}}$ is $\mathbf{P}$-triangular. Step 5: We will use Lemma 15.3 (b) and the result of Step 4 to find a matrix $\widetilde{D}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{p\times\left(p+q\right)}$ satisfying (48). Let us now go into detail on each specific step (although we won’t take that detail very far). Details of Step 1: Let us introduce three more pieces of notation pertaining to matrices: * • If $\ell\in\mathbb{N}$, and if $A_{1}$, $A_{2}$, $...$, $A_{k}$ are several matrices with $\ell$ rows each, then $\left(A_{1}\mid A_{2}\mid...\mid A_{k}\right)$ will denote the matrix obtained by starting with an (empty) $\ell\times 0$-matrix, then attaching the matrix $A_{1}$ to it on the right, then attaching the matrix $A_{2}$ to the result on the right, etc., and finally attaching the matrix $A_{k}$ to the result on the right. For example, if $p$ is a nonnegative integer, and $B$ is a matrix with $p$ rows, then $\left(I_{p}\mid B\right)$ means the matrix obtained from the $p\times p$ identity matrix $I_{p}$ by attaching the matrix $B$ to it on the right. (As a concrete example, $\left(I_{2}\mid\left(\begin{array}[c]{cc}1&-2\\\ 3&0\end{array}\right)\right)=\left(\begin{array}[c]{cccc}1&0&1&-2\\\ 0&1&3&0\end{array}\right)$.) * • If $\ell\in\mathbb{N}$, if $B$ is a matrix with $\ell$ rows, and if $i_{1}$, $i_{2}$, $...$, $i_{k}$ are some elements of $\left\\{1,2,...,\ell\right\\}$, then $\operatorname*{rows}\nolimits_{i_{1},i_{2},...,i_{k}}B$ will denote the matrix whose rows (from top to bottom) are the rows labelled $i_{1}$, $i_{2}$, $...$, $i_{k}$ of the matrix $B$. * • If $u$ and $v$ are two nonnegative integers, and $A$ is a $u\times v$-matrix, then, for any two integers $a$ and $b$ satisfying $a\leqslant b$, we let $A\left[a:b\right]$ be the matrix whose columns (from left to right) are $A_{a}$, $A_{a+1}$, $...$, $A_{b-1}$. This is a natural extension of the notation introduced in Definition 13.1 (c) (or, rather, the latter notation is a natural extension of the definition we just made) and has the obvious property that if $a$, $b$ and $c$ are integers satisfying $a\leqslant b\leqslant c$, then $A\left[a:c\right]=A\left[a:b\mid b:c\right]$. We will use without proof a standard fact about determinants: * • Given a commutative ring $\mathbb{L}$, two nonnegative integers $a$ and $b$ satisfying $a\geqslant b$, and a matrix $U\in\mathbb{L}^{a\times b}$, we have $\det\left(\left(\begin{array}[c]{c}I_{a-b}\\\ 0_{b\times\left(a-b\right)}\end{array}\right)\mid U\right)=\det\left(\operatorname*{rows}\nolimits_{a-b+1,a-b+2,...,a}U\right)$ (51) and $\det\left(\left(\begin{array}[c]{c}0_{b\times\left(a-b\right)}\\\ I_{a-b}\end{array}\right)\mid U\right)=\left(-1\right)^{b\left(a-b\right)}\det\left(\operatorname*{rows}\nolimits_{1,2,...,b}U\right).$ (52) (Here, $0_{u\times v}$ denotes the $u\times v$ zero matrix for all $u\in\mathbb{N}$ and $v\in\mathbb{N}$, and $\left(\begin{array}[c]{c}I_{a-b}\\\ 0_{b\times\left(a-b\right)}\end{array}\right)$ and $\left(\begin{array}[c]{c}0_{b\times\left(a-b\right)}\\\ I_{a-b}\end{array}\right)$ are to be read as block matrices.) Now, $\left(I_{p}\mid C\right)\left[1:i\mid i+k-1:p+k\right]=\left(\left(\begin{array}[c]{c}I_{i-1}\\\ 0_{\left(p-\left(i-1\right)\right)\times\left(i-1\right)}\end{array}\right)\ \mid\ \left(I_{p}\mid C\right)\left[i+k-1:p+k\right]\right),$ so that $\displaystyle\det\left(\left(I_{p}\mid C\right)\left[1:i\mid i+k-1:p+k\right]\right)$ $\displaystyle=\det\left(\left(\begin{array}[c]{c}I_{i-1}\\\ 0_{\left(p-\left(i-1\right)\right)\times\left(i-1\right)}\end{array}\right)\ \mid\ \left(I_{p}\mid C\right)\left[i+k-1:p+k\right]\right)$ $\displaystyle=\det\left(\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(\left(I_{p}\mid C\right)\left[i+k-1:p+k\right]\right)\right)$ (by (51)). Thus, $\displaystyle\mathfrak{N}_{\left(i,k\right)}$ $\displaystyle=\det\left(\left(I_{p}\mid C\right)\left[1:i\mid i+k-1:p+k\right]\right)$ $\displaystyle=\det\left(\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(\left(I_{p}\mid C\right)\left[i+k-1:p+k\right]\right)\right).$ (53) Also, $\displaystyle\left(I_{p}\mid C\right)\left[0:i\mid i+k:p+k\right]$ $\displaystyle=\left(\underbrace{\left(I_{p}\mid C\right)_{0}}_{\begin{subarray}{c}=\left(-1\right)^{p-1}C_{q}\\\ \text{(by Definition \ref{def.minors} {(b)})}\end{subarray}}\ \mid\ \left(\begin{array}[c]{c}I_{i-1}\\\ 0_{\left(p-\left(i-1\right)\right)\times\left(i-1\right)}\end{array}\right)\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right)$ $\displaystyle=\left(\left(-1\right)^{p-1}C_{q}\ \mid\ \left(\begin{array}[c]{c}I_{i-1}\\\ 0_{\left(p-\left(i-1\right)\right)\times\left(i-1\right)}\end{array}\right)\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right),$ whence $\displaystyle\det\left(\left(I_{p}\mid C\right)\left[0:i\mid i+k:p+k\right]\right)$ $\displaystyle=\det\left(\left(-1\right)^{p-1}C_{q}\ \mid\ \left(\begin{array}[c]{c}I_{i-1}\\\ 0_{\left(p-\left(i-1\right)\right)\times\left(i-1\right)}\end{array}\right)\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right)$ $\displaystyle=\left(-1\right)^{p-1}\det\left(C_{q}\ \mid\ \left(\begin{array}[c]{c}I_{i-1}\\\ 0_{\left(p-\left(i-1\right)\right)\times\left(i-1\right)}\end{array}\right)\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right)$ $\displaystyle=\underbrace{\left(-1\right)^{p-1}\left(-1\right)^{i-1}}_{=\left(-1\right)^{p-i}}\det\left(\left(\begin{array}[c]{c}I_{i-1}\\\ 0_{\left(p-\left(i-1\right)\right)\times\left(i-1\right)}\end{array}\right)\ \mid\ C_{q}\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\begin{array}[c]{c}\text{since permuting the columns of a matrix multiplies the}\\\ \text{determinant by the sign of the permutation}\end{array}\right)$ $\displaystyle=\left(-1\right)^{p-i}\det\left(\left(\begin{array}[c]{c}I_{i-1}\\\ 0_{\left(p-\left(i-1\right)\right)\times\left(i-1\right)}\end{array}\right)\ \mid\ C_{q}\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right)$ $\displaystyle=\left(-1\right)^{p-i}\det\left(\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(C_{q}\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right)\right)$ (by (51)). Thus, $\displaystyle\mathfrak{D}_{\left(i,k\right)}$ $\displaystyle=\det\left(\left(I_{p}\mid C\right)\left[0:i\mid i+k:p+k\right]\right)$ $\displaystyle=\left(-1\right)^{p-i}\det\left(\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(C_{q}\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right)\right).$ (54) We have thus found alternative formulas (53) and (54) for $\mathfrak{N}_{\left(i,k\right)}$ and $\mathfrak{D}_{\left(i,k\right)}$. While not shorter than the definitions, these formulas involve smaller matrices (unless $i=1$) and are more useful in understanding the monomials appearing in $\mathfrak{N}_{\left(i,k\right)}$ and $\mathfrak{D}_{\left(i,k\right)}$. Details of Step 2: We claim that $\mathfrak{N}_{\left(i,k\right)}$ and $\mathfrak{D}_{\left(i,k\right)}$ are nonzero for all $\left(i,k\right)\in\mathbf{P}$. Proof. Let $\left(i,k\right)\in\mathbf{P}$. Let us first check that $\mathfrak{N}_{\left(i,k\right)}$ is nonzero. There are, in fact, many ways to do this. Here is probably the shortest one: Assume the contrary, i.e., assume that $\mathfrak{N}_{\left(i,k\right)}=0$. Then, every matrix $G\in\mathbb{F}^{p\times\left(p+q\right)}$ satisfies $\det\left(G\left[1:i\mid i+k-1:p+k\right]\right)=0$ 373737Proof. Let $\widetilde{\mathbb{F}}$ be a field extension of $\mathbb{F}$ such that $\left|\widetilde{\mathbb{F}}\right|=\infty$. (We need this to make sense of Zariski density arguments.) We are going to prove that every matrix $G\in\widetilde{\mathbb{F}}^{p\times\left(p+q\right)}$ satisfies $\det\left(G\left[1:i\mid i+k-1:p+k\right]\right)=0$; this will clearly imply the same claim for $G\in\mathbb{F}^{p\times\left(p+q\right)}$. Let $G\in\widetilde{\mathbb{F}}^{p\times\left(p+q\right)}$. We want to prove that $\det\left(G\left[1:i\mid i+k-1:p+k\right]\right)=0$. Since this is a polynomial identity in the entries of $G$, we can WLOG assume that $G$ is generic enough that the first $p$ columns of $G$ are linearly independent (since this just restricts $G$ to a Zariski-dense open subset of $\widetilde{\mathbb{F}}^{p\times\left(p+q\right)}$). Assume this. Then, we can write $G$ in the form $\left(U\mid V\right)$, with $U$ being the matrix formed by the first $p$ columns of $G$, and $V$ being the matrix formed by the remaining $q$ columns. Since the first $p$ columns of $G$ are linearly independent, the matrix $U$ is invertible. Left multiplication by $U^{-1}$ acts on matrices column by column. This yields $U^{-1}\cdot\left(G\left[1:i\mid i+k-1:p+k\right]\right)=\left(U^{-1}G\right)\left[1:i\mid i+k-1:p+k\right].$ Also, $U^{-1}\underbrace{G}_{=\left(U\mid V\right)}=U^{-1}\left(U\mid V\right)=\left(U^{-1}U\mid U^{-1}V\right)=\left(I_{p}\mid U^{-1}V\right)$. Now, we have $\mathfrak{N}_{\left(i,k\right)}=0$. Since $\mathfrak{N}_{\left(i,k\right)}=\det\left(\left(I_{p}\mid C\right)\left[1:i\mid i+k-1:p+k\right]\right)$, this yields that $\det\left(\left(I_{p}\mid C\right)\left[1:i\mid i+k-1:p+k\right]\right)=0$. But the matrix $C$ is, in some sense, the “most generic matrix”: namely, the entries of the matrix $C$ are pairwise distinct commuting indeterminates, and therefore we can obtain any other matrix (over a commutative $\mathbb{F}$-algebra) from $C$ by substituting the corresponding values for the indeterminates. In particular, we can make a substitution that turns $C$ into $U^{-1}V$. Thus, from $\det\left(\left(I_{p}\mid C\right)\left[1:i\mid i+k-1:p+k\right]\right)=0$, we obtain $\det\left(\left(I_{p}\mid U^{-1}V\right)\left[1:i\mid i+k-1:p+k\right]\right)=0$. Now, $\displaystyle\left(\det U\right)^{-1}\cdot\det\left(G\left[1:i\mid i+k-1:p+k\right]\right)$ $\displaystyle=\det\left(\underbrace{U^{-1}\cdot\left(G\left[1:i\mid i+k-1:p+k\right]\right)}_{=\left(U^{-1}G\right)\left[1:i\mid i+k-1:p+k\right]}\right)=\det\left(\left(\underbrace{U^{-1}G}_{=\left(I_{p}\mid U^{-1}V\right)}\right)\left[1:i\mid i+k-1:p+k\right]\right)$ $\displaystyle=\det\left(\left(I_{p}\mid U^{-1}V\right)\left[1:i\mid i+k-1:p+k\right]\right)=0.$ Multiplying this with $\det U$ (which is nonzero since $U$ is invertible), we obtain $\det\left(G\left[1:i\mid i+k-1:p+k\right]\right)=0$, qed.. But this is absurd, because we can pick $G$ to have the $p$ columns labelled $1$, $2$, $...$, $i-1$, $i+k-1$, $i+k$, $...$, $p+k-1$ linearly independent. This contradiction shows that our assumption was wrong. Hence, $\mathfrak{N}_{\left(i,k\right)}$ is nonzero. Similarly, $\mathfrak{D}_{\left(i,k\right)}$ is nonzero. Details of Step 3: Define a $Q_{\mathbf{p}}\in\mathbb{F}\left(x_{\mathbf{P}}\right)$ for every $\mathbf{p}\in\mathbf{P}$ by $Q_{\mathbf{p}}=\dfrac{\mathfrak{N}_{\mathbf{p}}}{\mathfrak{D}_{\mathbf{p}}}$. This is well-defined because Step 2 has shown that $\mathfrak{D}_{\mathbf{p}}$ is nonzero. Moreover, it is easy to see that every $\left(i,k\right)\in\mathbf{P}$ satisfies $Q_{\left(i,k\right)}=\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid C\right)\right)\left(\left(i,k\right)\right).$ 383838Indeed, the definition of $\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid C\right)$ yields $\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid C\right)\right)\left(\left(i,k\right)\right)=\dfrac{\det\left(\left(I_{p}\mid C\right)\left[1:i\mid i+k-1:p+k\right]\right)}{\det\left(\left(I_{p}\mid C\right)\left[0:i\mid i+k:p+k\right]\right)}=\dfrac{\mathfrak{N}_{\left(i,k\right)}}{\mathfrak{D}_{\left(i,k\right)}}$ (by (49) and (50)). In other words, every $\mathbf{p}\in\mathbf{P}$ satisfies $Q_{\mathbf{p}}=\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid C\right)\right)\left(\mathbf{p}\right).$ (55) Details of Step 4: We are now going to prove that the family $\left(Q_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{\mathbf{P}}$ is $\mathbf{P}$-triangular. By the definition of $\mathbf{P}$-triangularity, this requires showing that for every $\mathbf{p}\in\mathbf{P}$, there exist elements $\alpha_{\mathbf{p}}$, $\beta_{\mathbf{p}}$, $\gamma_{\mathbf{p}}$, $\delta_{\mathbf{p}}$ of $\mathbb{F}\left(x_{\mathbf{p}\Downarrow}\right)$ such that $\alpha_{\mathbf{p}}\delta_{\mathbf{p}}-\beta_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$ and $Q_{\mathbf{p}}=\dfrac{\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}}{\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}}$ (where $\mathbf{p}\Downarrow$ is defined as in Definition 15.2 (d)). So fix $\mathbf{p}\in\mathbf{P}$. Write $\mathbf{p}$ in the form $\mathbf{p}=\left(i,k\right)$. We will actually do something slightly better than we need. We will find elements $\alpha_{\mathbf{p}}$, $\beta_{\mathbf{p}}$, $\gamma_{\mathbf{p}}$, $\delta_{\mathbf{p}}$ of $\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]$ (not just of $\mathbb{F}\left(x_{\mathbf{p}\Downarrow}\right)$) such that $\alpha_{\mathbf{p}}\delta_{\mathbf{p}}-\beta_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$ and $\mathfrak{N}_{\mathbf{p}}=\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}$ and $\mathfrak{D}_{\mathbf{p}}=\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}$. (Of course, the conditions $\mathfrak{N}_{\mathbf{p}}=\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}$ and $\mathfrak{D}_{\mathbf{p}}=\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}$ combined imply $Q_{\mathbf{p}}=\dfrac{\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}}{\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}}$, hence the yearned-for $\mathbf{P}$-triangularity.) Let us first deal with two “boundary” cases: the case when $k=1$, and the case when $k\neq 1$ but $i=p$. The case when $k=1$ is very easy. In fact, in this case, it is easy to prove that $\mathfrak{N}_{\mathbf{p}}=1$ (using (53)) and that $\mathfrak{D}_{\mathbf{p}}=\left(-1\right)^{i+p}x_{\mathbf{p}}$ (using (54)). Consequently, we can take $\alpha_{\mathbf{p}}=0$, $\beta_{\mathbf{p}}=1$, $\gamma_{\mathbf{p}}=\left(-1\right)^{i+p}$ and $\delta_{\mathbf{p}}=0$, and it is clear that all three requirements $\alpha_{\mathbf{p}}\delta_{\mathbf{p}}-\beta_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$ and $\mathfrak{N}_{\mathbf{p}}=\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}$ and $\mathfrak{D}_{\mathbf{p}}=\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}$ are satisfied. The case when $k\neq 1$ but $i=p$ is not much harder. In this case, (53) simplifies to $\mathfrak{N}_{\mathbf{p}}=x_{\mathbf{p}}$, and (54) simplifies to $\mathfrak{D}_{\mathbf{p}}=x_{\left(p,1\right)}$. Hence, we can take $\alpha_{\mathbf{p}}=1$, $\beta_{\mathbf{p}}=0$, $\gamma_{\mathbf{p}}=0$ and $\delta_{\mathbf{p}}=x_{\left(p,1\right)}$ to achieve $\alpha_{\mathbf{p}}\delta_{\mathbf{p}}-\beta_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$ and $\mathfrak{N}_{\mathbf{p}}=\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}$ and $\mathfrak{D}_{\mathbf{p}}=\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}$. Note that this choice of $\delta_{\mathbf{p}}$ is legitimate because $x_{\left(p,1\right)}$ does lie in $\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]$ (since $\left(p,1\right)\in\left.\mathbf{p}\Downarrow\right.$). Now that these two cases are settled, let us deal with the remaining case. So we have neither $k=1$ nor $i=p$. Consider the matrix $\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(\left(I_{p}\mid C\right)\left[i+k-1:p+k\right]\right)$ (this matrix appears on the right hand side of (53)). Each entry of this matrix comes either from the matrix $I_{p}$ or from the matrix $C$. If it comes from $I_{p}$, it clearly lies in $\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]$. If it comes from $C$, it has the form $x_{\mathbf{q}}$ for some $\mathbf{q}\in\mathbf{P}$, and this $\mathbf{q}$ belongs to $\left.\mathbf{p}\Downarrow\right.$ unless the entry is the $\left(1,p-i+1\right)$-th entry. Therefore, each entry of the matrix $\left(I_{p}\mid C\right)\left[i+k-1:p+k\right]$ apart from the $\left(1,p-i+1\right)$-th entry lies in $\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]$, whereas the $\left(1,p-i+1\right)$-th entry is $x_{\mathbf{p}}$. Hence, if we use Laplace expansion with respect to the first row to compute the determinant of this matrix, we obtain a formula of the form $\displaystyle\det\left(\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(\left(I_{p}\mid C\right)\left[i+k-1:p+k\right]\right)\right)$ $\displaystyle=x_{\mathbf{p}}\cdot\left(\text{some polynomial in entries lying in }\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ +\left(\text{more polynomials in entries lying in }\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]\right)$ $\displaystyle\in\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]\cdot x_{\mathbf{p}}+\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right].$ In other words, there exist elements $\alpha_{\mathbf{p}}$ and $\beta_{\mathbf{p}}$ of $\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]$ such that $\det\left(\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(\left(I_{p}\mid C\right)\left[i+k-1:p+k\right]\right)\right)=\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}$. Consider these $\alpha_{\mathbf{p}}$ and $\beta_{\mathbf{p}}$. We have $\displaystyle\mathfrak{N}_{\mathbf{p}}$ $\displaystyle=\mathfrak{N}_{\left(i,k\right)}=\det\left(\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(\left(I_{p}\mid C\right)\left[i+k-1:p+k\right]\right)\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by (\ref{pf.Grasp.generic.short.step1.N})}\right)$ (56) $\displaystyle=\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}.$ (57) We can similarly deal with the matrix $\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(C_{q}\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right)$ which appears on the right hand side of (54). Again, each entry of this matrix apart from the $\left(1,p-i+1\right)$-th entry lies in $\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]$, whereas the $\left(1,p-i+1\right)$-th entry is $x_{\mathbf{p}}$. Using Laplace expansion again, we thus see that $\det\left(\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(C_{q}\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right)\right)\in\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]\cdot x_{\mathbf{p}}+\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right],$ so that $\left(-1\right)^{p-i}\det\left(\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(C_{q}\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right)\right)\in\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]\cdot x_{\mathbf{p}}+\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right].$ Hence, there exist elements $\gamma_{\mathbf{p}}$ and $\delta_{\mathbf{p}}$ of $\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]$ such that $\left(-1\right)^{p-i}\det\left(\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(C_{q}\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right)\right)=\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}$. Consider these $\gamma_{\mathbf{p}}$ and $\delta_{\mathbf{p}}$. We have $\displaystyle\mathfrak{D}_{\mathbf{p}}$ $\displaystyle=\mathfrak{D}_{\left(i,k\right)}=\left(-1\right)^{p-i}\det\left(\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(C_{q}\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k\right]\right)\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by (\ref{pf.Grasp.generic.short.step1.D})}\right)$ (58) $\displaystyle=\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}.$ We thus have found elements $\alpha_{\mathbf{p}}$, $\beta_{\mathbf{p}}$, $\gamma_{\mathbf{p}}$, $\delta_{\mathbf{p}}$ of $\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]$ satisfying $\mathfrak{N}_{\mathbf{p}}=\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}$ and $\mathfrak{D}_{\mathbf{p}}=\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}$. In order to finish the proof of $\mathbf{P}$-triangularity, we only need to show that $\alpha_{\mathbf{p}}\delta_{\mathbf{p}}-\beta_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$. In order to achieve this goal, we notice that $\alpha_{\mathbf{p}}\underbrace{\mathfrak{D}_{\mathbf{p}}}_{=\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}}-\underbrace{\mathfrak{N}_{\mathbf{p}}}_{=\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}}\gamma_{\mathbf{p}}=\alpha_{\mathbf{p}}\left(\gamma_{\mathbf{p}}x_{\mathbf{p}}+\delta_{\mathbf{p}}\right)-\left(\alpha_{\mathbf{p}}x_{\mathbf{p}}+\beta_{\mathbf{p}}\right)\gamma_{\mathbf{p}}=\alpha_{\mathbf{p}}\delta_{\mathbf{p}}-\beta_{\mathbf{p}}\gamma_{\mathbf{p}}.$ Hence, proving $\alpha_{\mathbf{p}}\delta_{\mathbf{p}}-\beta_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$ is equivalent to proving $\alpha_{\mathbf{p}}\mathfrak{D}_{\mathbf{p}}-\mathfrak{N}_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$. It is the latter that we are going to do, because $\alpha_{\mathbf{p}}$, $\mathfrak{D}_{\mathbf{p}}$, $\mathfrak{N}_{\mathbf{p}}$ and $\gamma_{\mathbf{p}}$ are easier to get our hands on than $\beta_{\mathbf{p}}$ and $\delta_{\mathbf{p}}$. So we need to prove that $\alpha_{\mathbf{p}}\mathfrak{D}_{\mathbf{p}}-\mathfrak{N}_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$. To do so, we look back at our proof of $\det\left(\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(\left(I_{p}\mid C\right)\left[i+k-1:p+k\right]\right)\right)\in\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]\cdot x_{\mathbf{p}}+\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right].$ This proof proceeded by applying Laplace expansion with respect to the first row to the matrix $\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(\left(I_{p}\mid C\right)\left[i+k-1:p+k\right]\right)$. The only term involving $x_{\mathbf{p}}$ was $x_{\mathbf{p}}\cdot\left(\text{some polynomial in entries lying in }\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]\right).$ Recalling the statement of Laplace expansion, we notice that “some polynomial in entries lying in $\mathbb{F}\left[x_{\mathbf{p}\Downarrow}\right]$” in this term is actually the $\left(1,p-i+1\right)$-th cofactor of the matrix $\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(\left(I_{p}\mid C\right)\left[i+k-1:p+k\right]\right)$. Hence, $\displaystyle\alpha_{\mathbf{p}}$ $\displaystyle=\left(\text{the }\left(1,p-i+1\right)\text{-th cofactor of }\operatorname*{rows}\nolimits_{i,i+1,...,p}\left(\left(I_{p}\mid C\right)\left[i+k-1:p+k\right]\right)\right)$ $\displaystyle=\left(-1\right)^{p-i}\cdot\det\left(\operatorname*{rows}\nolimits_{i+1,i+2,...,p}\left(\left(I_{p}\mid C\right)\left[i+k-1:p+k-1\right]\right)\right).$ (59) Similarly, $\gamma_{\mathbf{p}}=\det\left(\operatorname*{rows}\nolimits_{i+1,i+2,...,p}\left(C_{q}\ \mid\ \left(I_{p}\mid C\right)\left[i+k:p+k-1\right]\right)\right)$ (60) (note that we lost the sign $\left(-1\right)^{p-i}$ from (58) since it got cancelled against the $\left(-1\right)^{p-\left(i+1\right)}$ arising from the definition of a cofactor). Now, recall that we have neither $k=1$ nor $i=p$. Hence, $\left(i+1,k-1\right)$ also belongs to $\mathbf{P}$, so we can apply (53) to $\left(i+1,k-1\right)$ in lieu of $\left(i,k\right)$, and obtain $\mathfrak{N}_{\left(i+1,k-1\right)}=\det\left(\operatorname*{rows}\nolimits_{i+1,i+2,...,p}\left(\left(I_{p}\mid C\right)\left[i+k-1:p+k-1\right]\right)\right).$ In light of this, (59) becomes $\alpha_{\mathbf{p}}=\left(-1\right)^{p-i}\cdot\mathfrak{N}_{\left(i+1,k-1\right)}.$ Similarly, we can apply (54) to $\left(i+1,k-1\right)$ in lieu of $\left(i,k\right)$, and use this to rewrite (60) as $\gamma_{\mathbf{p}}=\left(-1\right)^{p-\left(i+1\right)}\cdot\mathfrak{D}_{\left(i+1,k-1\right)}.$ Hence, $\displaystyle\underbrace{\alpha_{\mathbf{p}}}_{=\left(-1\right)^{p-i}\cdot\mathfrak{N}_{\left(i+1,k-1\right)}}\mathfrak{D}_{\mathbf{p}}-\mathfrak{N}_{\mathbf{p}}\underbrace{\gamma_{\mathbf{p}}}_{=\left(-1\right)^{p-\left(i+1\right)}\cdot\mathfrak{D}_{\left(i+1,k-1\right)}}$ $\displaystyle=\left(-1\right)^{p-i}\cdot\mathfrak{N}_{\left(i+1,k-1\right)}\cdot\mathfrak{D}_{\mathbf{p}}-\mathfrak{N}_{\mathbf{p}}\cdot\underbrace{\left(-1\right)^{p-\left(i+1\right)}}_{=-\left(-1\right)^{p-i}}\cdot\mathfrak{D}_{\left(i+1,k-1\right)}$ $\displaystyle=\left(-1\right)^{p-i}\cdot\left(\mathfrak{N}_{\left(i+1,k-1\right)}\mathfrak{D}_{\mathbf{p}}+\mathfrak{N}_{\mathbf{p}}\mathfrak{D}_{\left(i+1,k-1\right)}\right).$ Thus, we can shift our goal from proving $\alpha_{\mathbf{p}}\mathfrak{D}_{\mathbf{p}}-\mathfrak{N}_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$ to proving $\mathfrak{N}_{\left(i+1,k-1\right)}\mathfrak{D}_{\mathbf{p}}+\mathfrak{N}_{\mathbf{p}}\mathfrak{D}_{\left(i+1,k-1\right)}\neq 0$. But this turns out to be surprisingly simple: Since $\mathbf{p}=\left(i,k\right)$, we have $\displaystyle\mathfrak{N}_{\left(i+1,k-1\right)}\mathfrak{D}_{\mathbf{p}}+\mathfrak{N}_{\mathbf{p}}\mathfrak{D}_{\left(i+1,k-1\right)}$ $\displaystyle=\mathfrak{N}_{\left(i+1,k-1\right)}\mathfrak{D}_{\left(i,k\right)}+\mathfrak{N}_{\left(i,k\right)}\mathfrak{D}_{\left(i+1,k-1\right)}=\mathfrak{D}_{\left(i,k\right)}\cdot\mathfrak{N}_{\left(i+1,k-1\right)}+\mathfrak{N}_{\left(i,k\right)}\cdot\mathfrak{D}_{\left(i+1,k-1\right)}$ $\displaystyle=\det\left(\left(I_{p}\mid C\right)\left[0:i\mid i+k:p+k\right]\right)\cdot\det\left(\left(I_{p}\mid C\right)\left[1:i+1\mid i+k-1:p+k-1\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ +\det\left(\left(I_{p}\mid C\right)\left[1:i\mid i+k-1:p+k\right]\right)\cdot\det\left(\left(I_{p}\mid C\right)\left[0:i+1\mid i+k:p+k-1\right]\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\begin{array}[c]{c}\text{here, we just substituted }\mathfrak{D}_{\left(i,k\right)}\text{, }\mathfrak{N}_{\left(i+1,k-1\right)}\text{, }\mathfrak{N}_{\left(i,k\right)}\text{ and }\mathfrak{D}_{\left(i+1,k-1\right)}\\\ \text{by their definitions}\end{array}\right)$ (63) $\displaystyle=\det\left(\left(I_{p}\mid C\right)\left[0:i\mid i+k-1:p+k-1\right]\right)\cdot\det\left(\left(I_{p}\mid C\right)\left[1:i+1\mid i+k:p+k\right]\right)$ (64) (by Theorem 14.1, applied to $p$, $p+q$, $\left(I_{p}\mid C\right)$, $1$, $i$, $i+k$ and $p+k-1$ instead of $u$, $v$, $A$, $a$, $b$, $c$ and $d$). On the other hand, $\left(i,k-1\right)$ and $\left(i+1,k\right)$ also belong to $\mathbf{P}$ and satisfy $\mathfrak{D}_{\left(i,k-1\right)}=\det\left(\left(I_{p}\mid C\right)\left[0:i\mid i+k-1:p+k-1\right]\right)$ and $\mathfrak{N}_{\left(i+1,k\right)}=\det\left(\left(I_{p}\mid C\right)\left[1:i+1\mid i+k:p+k\right]\right)$ (by the respective definitions of $\mathfrak{D}_{\left(i,k-1\right)}$ and $\mathfrak{N}_{\left(i+1,k\right)}$). Hence, (64) becomes $\displaystyle\mathfrak{N}_{\left(i+1,k-1\right)}\mathfrak{D}_{\mathbf{p}}+\mathfrak{N}_{\mathbf{p}}\mathfrak{D}_{\left(i+1,k-1\right)}$ $\displaystyle=\underbrace{\det\left(\left(I_{p}\mid C\right)\left[0:i\mid i+k-1:p+k-1\right]\right)}_{=\mathfrak{D}_{\left(i,k-1\right)}}\cdot\underbrace{\det\left(\left(I_{p}\mid C\right)\left[1:i+1\mid i+k:p+k\right]\right)}_{=\mathfrak{N}_{\left(i+1,k\right)}}$ $\displaystyle=\mathfrak{D}_{\left(i,k-1\right)}\cdot\mathfrak{N}_{\left(i+1,k\right)}\neq 0$ (since the result of Step 2 shows that $\mathfrak{D}_{\left(i,k-1\right)}$ and $\mathfrak{N}_{\left(i+1,k\right)}$ are nonzero). This finishes our proof of $\mathfrak{N}_{\left(i+1,k-1\right)}\mathfrak{D}_{\mathbf{p}}+\mathfrak{N}_{\mathbf{p}}\mathfrak{D}_{\left(i+1,k-1\right)}\neq 0$, thus also of $\alpha_{\mathbf{p}}\mathfrak{D}_{\mathbf{p}}-\mathfrak{N}_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$, hence also of $\alpha_{\mathbf{p}}\delta_{\mathbf{p}}-\beta_{\mathbf{p}}\gamma_{\mathbf{p}}\neq 0$, and ultimately of the $\mathbf{P}$-triangularity of the family $\left(Q_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$. Details of Step 5: Recall that our goal is to prove the existence of a matrix $\widetilde{D}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{p\times\left(p+q\right)}$ satisfying (48). Since Step 4, we know that the family $\left(Q_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{\mathbf{P}}$ is $\mathbf{P}$-triangular. Hence, Lemma 15.3 (b) shows that there exists a $\mathbf{P}$-triangular family $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{\mathbf{P}}$ such that every $\mathbf{q}\in\mathbf{P}$ satisfies $Q_{\mathbf{q}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=x_{\mathbf{q}}$. Consider this $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$. Applying Lemma 15.3 (a) to this family $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$, we conclude that $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$ is algebraically independent. In Step 3, we have shown that $Q_{\mathbf{p}}=\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid C\right)\right)\left(\mathbf{p}\right)$ for every $\mathbf{p}\in\mathbf{P}$. Renaming $\mathbf{p}$ as $\mathbf{q}$, we rewrite this as follows: $Q_{\mathbf{q}}=\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid C\right)\right)\left(\mathbf{q}\right)\ \ \ \ \ \ \ \ \ \ \text{for every }\mathbf{q}\in\mathbf{P}.$ (65) Now, let $\widetilde{C}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{p\times\left(p+q\right)}$ denote the matrix obtained from the matrix $C\in\left(\mathbb{F}\left[x_{\mathbf{P}}\right]\right)^{p\times\left(p+q\right)}$ by substituting $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$ for the variables $\left(x_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$. Since (65) is an identity between rational functions in the variables $\left(x_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$, we thus can substitute $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$ for the variables $\left(x_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$ in (65)393939The substitution does not suffer from vanishing denominators because $\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}$ is algebraically independent., and obtain $Q_{\mathbf{q}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid\widetilde{C}\right)\right)\left(\mathbf{q}\right)\ \ \ \ \ \ \ \ \ \ \text{for every }\mathbf{q}\in\mathbf{P}$ (since this substitution takes the matrix $C$ to $\widetilde{C}$). But since $Q_{\mathbf{q}}\left(\left(R_{\mathbf{p}}\right)_{\mathbf{p}\in\mathbf{P}}\right)=x_{\mathbf{q}}$ for every $\mathbf{q}\in\mathbf{P}$, this rewrites as $x_{\mathbf{q}}=\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid\widetilde{C}\right)\right)\left(\mathbf{q}\right)\ \ \ \ \ \ \ \ \ \ \text{for every }\mathbf{q}\in\mathbf{P}.$ Upon renaming $\mathbf{q}$ as $\mathbf{p}$ again, this becomes $x_{\mathbf{p}}=\left(\operatorname*{Grasp}\nolimits_{0}\left(I_{p}\mid\widetilde{C}\right)\right)\left(\mathbf{p}\right)\ \ \ \ \ \ \ \ \ \ \text{for every }\mathbf{p}\in\mathbf{P}.$ Hence, there exists a matrix $\widetilde{D}\in\left(\mathbb{F}\left(x_{\mathbf{P}}\right)\right)^{p\times\left(p+q\right)}$ satisfying (48) (namely, $\widetilde{D}=\left(I_{p}\mid\widetilde{C}\right)$). Thus, as we know, Proposition 13.14 is proven. ∎ ## 16 The rectangle: finishing the proofs As promised, we now use Propositions 13.13 and 13.14 to derive our initially stated results on rectangles. First, we formulate an easy consequence of Proposition 13.13: ###### Corollary 16.1. Let $\mathbb{K}$ be a field. Let $p$ and $q$ be two positive integers. Let $A\in\mathbb{K}^{p\times\left(p+q\right)}$ be a matrix. Then, every $i\in\mathbb{N}$ satisfies $\operatorname*{Grasp}\nolimits_{-i}A=R_{\operatorname*{Rect}\left(p,q\right)}^{i}\left(\operatorname*{Grasp}\nolimits_{0}A\right)$ (provided that $A$ is sufficiently generic in the sense of Zariski topology that both sides of this equality are well-defined). ###### Proof of Corollary 16.1 (sketched).. We will prove Corollary 16.1 by induction over $i$: Induction base: For $i=0$, the claim of Corollary 16.1 boils down to $\operatorname*{Grasp}\nolimits_{0}A=R_{\operatorname*{Rect}\left(p,q\right)}^{0}\left(\operatorname*{Grasp}\nolimits_{0}A\right)$. This is obvious, and so the induction base is complete. Induction step: Let $j\in\mathbb{N}$. Assume that Corollary 16.1 holds for $i=j$. We need to prove that Corollary 16.1 holds for $i=j+1$ as well. Proposition 13.13 (applied to $-\left(j+1\right)$ instead of $j$) yields $\displaystyle\operatorname*{Grasp}\nolimits_{-\left(j+1\right)}A$ $\displaystyle=R_{\operatorname*{Rect}\left(p,q\right)}\left(\operatorname*{Grasp}\nolimits_{-\left(j+1\right)+1}A\right)=R_{\operatorname*{Rect}\left(p,q\right)}\left(\underbrace{\operatorname*{Grasp}\nolimits_{-j}A}_{\begin{subarray}{c}=R_{\operatorname*{Rect}\left(p,q\right)}^{j}\left(\operatorname*{Grasp}\nolimits_{0}A\right)\\\ \text{(since Corollary \ref{cor.Grasp.GraspR}}\\\ \text{holds for }i=j\text{)}\end{subarray}}\right)$ $\displaystyle=R_{\operatorname*{Rect}\left(p,q\right)}\left(R_{\operatorname*{Rect}\left(p,q\right)}^{j}\left(\operatorname*{Grasp}\nolimits_{0}A\right)\right)=R_{\operatorname*{Rect}\left(p,q\right)}^{j+1}\left(\operatorname*{Grasp}\nolimits_{0}A\right).$ In other words, Corollary 16.1 holds for $i=j+1$. This completes the induction step. The induction proof of Corollary 16.1 is thus finished. ∎ ###### Proof of Theorem 11.5 (sketched).. We need to show that $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,q\right)}\right)=p+q$. According to Proposition 12.2, it is enough to prove that almost every (in the Zariski sense) reduced labelling $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ satisfies $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}f=f$. So let $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ be a sufficiently generic reduced labelling. In other words, $f$ is a sufficiently generic element of $\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$ (because the reduced labellings $\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ are being identified with the elements of $\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$). Due to Proposition 13.14, there exists a matrix $A\in\mathbb{K}^{p\times\left(p+q\right)}$ satisfying $f=\operatorname*{Grasp}\nolimits_{0}A$. Consider this $A$. Due to Corollary 16.1 (applied to $i=p+q$), we have $\operatorname*{Grasp}\nolimits_{-\left(p+q\right)}A=R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}\left(\underbrace{\operatorname*{Grasp}\nolimits_{0}A}_{=f}\right)=R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}f.$ But Proposition 13.11 (applied to $j=-\left(p+q\right)$) yields $\displaystyle\operatorname*{Grasp}\nolimits_{-\left(p+q\right)}A$ $\displaystyle=\operatorname*{Grasp}\nolimits_{p+q+\left(-\left(p+q\right)\right)}A=\operatorname*{Grasp}\nolimits_{0}A\ \ \ \ \ \ \ \ \ \ \left(\text{since }p+q+\left(-\left(p+q\right)\right)=0\right)$ $\displaystyle=f.$ Hence, $f=\operatorname*{Grasp}\nolimits_{-\left(p+q\right)}A=R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}f$. In other words, $R_{\operatorname*{Rect}\left(p,q\right)}^{p+q}f=f$. This (as we know) proves Theorem 11.5. ∎ ###### Proof of Theorem 12.3 (sketched).. Let us regard the reduced labelling $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ as an element of $\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$ (because we identify reduced labellings in $\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ with elements of $\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$). We assume WLOG that this element $f\in\mathbb{K}^{\operatorname*{Rect}\left(p,q\right)}$ is generic enough (among the reduced labellings) for Proposition 13.14 to apply. By Proposition 13.14, there exists a matrix $A\in\mathbb{K}^{p\times\left(p+q\right)}$ satisfying $f=\operatorname*{Grasp}\nolimits_{0}A$. Consider this $A$. Due to Corollary 16.1 (applied to $i+k-1$ instead of $i$), we have $\operatorname*{Grasp}\nolimits_{-\left(i+k-1\right)}A=R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}\left(\underbrace{\operatorname*{Grasp}\nolimits_{0}A}_{=f}\right)=R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f.$ But Proposition 13.12 (applied to $j=-\left(i+k-1\right)$) yields $\displaystyle\left(\operatorname*{Grasp}\nolimits_{-\left(i+k-1\right)}A\right)\left(\left(i,k\right)\right)$ $\displaystyle=\dfrac{1}{\left(\operatorname*{Grasp}\nolimits_{-\left(i+k-1\right)+i+k-1}A\right)\left(\left(p+1-i,q+1-k\right)\right)}$ $\displaystyle=\dfrac{1}{f\left(\left(p+1-i,q+1-k\right)\right)}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{since }\operatorname*{Grasp}\nolimits_{-\left(i+k-1\right)+i+k-1}A=\operatorname*{Grasp}\nolimits_{0}A=f\right),$ so that $f\left(\left(p+1-i,q+1-k\right)\right)=\dfrac{1}{\left(\operatorname*{Grasp}\nolimits_{-\left(i+k-1\right)}A\right)\left(\left(i,k\right)\right)}=\dfrac{1}{\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right)\left(\left(i,k\right)\right)}$ (since $\operatorname*{Grasp}\nolimits_{-\left(i+k-1\right)}A=R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f$). This proves Theorem 12.3. ∎ ###### Proof of Theorem 11.7 (sketched).. We will be using the notation $\left(a_{0},a_{1},...,a_{n+1}\right)\flat f$ defined in Definition 5.2. Let $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,q\right)}}$ be arbitrary. By genericity, we assume WLOG that $f\left(0\right)$ and $f\left(1\right)$ are nonzero. Let $n=p+q-1$. Then, $\operatorname*{Rect}\left(p,q\right)$ is an $n$-graded poset. Also, $i+k-1\in\left\\{0,1,...,n\right\\}$. Moreover, $1\leqslant n-i-k+2\leqslant n$. Define an $\left(n+2\right)$-tuple $\left(a_{0},a_{1},...,a_{n+1}\right)\in\mathbb{K}^{n+2}$ by $a_{r}=\left\\{\begin{array}[c]{c}\dfrac{1}{f\left(0\right)},\ \ \ \ \ \ \ \ \ \ \text{if }r=0;\\\ 1,\ \ \ \ \ \ \ \ \ \ \text{if }1\leqslant r\leqslant n;\\\ \dfrac{1}{f\left(1\right)},\ \ \ \ \ \ \ \ \ \ \text{if }r=n+1\end{array}\right.\ \ \ \ \ \ \ \ \ \ \text{for every }r\in\left\\{0,1,...,n+1\right\\}.$ Thus, $a_{n-i-k+2}=1$ (since $1\leqslant n-i-k+2\leqslant n$) and $a_{0}=\dfrac{1}{f\left(0\right)}$ and $a_{n+1}=\dfrac{1}{f\left(1\right)}$. Let $f^{\prime}=\left(a_{0},a_{1},...,a_{n+1}\right)\flat f$. Then, it is easy to see from the definition of $\left(a_{0},a_{1},...,a_{n+1}\right)\flat f$ that $f^{\prime}\left(0\right)=1$ and $f^{\prime}\left(1\right)=1$. In other words, $f^{\prime}$ is a reduced $\mathbb{K}$-labelling. Hence, Theorem 12.3 (applied to $f^{\prime}$ instead of $f$) yields $f^{\prime}\left(\left(p+1-i,q+1-k\right)\right)=\dfrac{1}{\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}\left(f^{\prime}\right)\right)\left(\left(i,k\right)\right)}.$ (66) On the other hand, again from the definition of $f^{\prime}=\left(a_{0},a_{1},...,a_{n+1}\right)\flat f$, it is easy to see that $f^{\prime}\left(v\right)=f\left(v\right)$ for every $v\in\operatorname*{Rect}\left(p,q\right)$. This yields, in particular, that $f^{\prime}\left(\left(p+1-i,q+1-k\right)\right)=f\left(\left(p+1-i,q+1-k\right)\right)$. But let us define an element $\widehat{a}_{\kappa}^{\left(\ell\right)}\in\mathbb{K}^{\times}$ for every $\ell\in\left\\{0,1,...,n+1\right\\}$ and $\kappa\in\left\\{0,1,...,n+1\right\\}$ as in Proposition 5.5. Then, Proposition 5.5 (applied to $\ell=i+k-1$) yields $R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}\left(\left(a_{0},a_{1},...,a_{n+1}\right)\flat f\right)=\left(\widehat{a}_{0}^{\left(i+k-1\right)},\widehat{a}_{1}^{\left(i+k-1\right)},...,\widehat{a}_{n+1}^{\left(i+k-1\right)}\right)\flat\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right).$ Since $\left(a_{0},a_{1},...,a_{n+1}\right)\flat f=f^{\prime}$, this rewrites as $R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}\left(f^{\prime}\right)=\left(\widehat{a}_{0}^{\left(i+k-1\right)},\widehat{a}_{1}^{\left(i+k-1\right)},...,\widehat{a}_{n+1}^{\left(i+k-1\right)}\right)\flat\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right).$ Hence, $\displaystyle\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}\left(f^{\prime}\right)\right)\left(\left(i,k\right)\right)$ $\displaystyle=\left(\left(\widehat{a}_{0}^{\left(i+k-1\right)},\widehat{a}_{1}^{\left(i+k-1\right)},...,\widehat{a}_{n+1}^{\left(i+k-1\right)}\right)\flat\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right)\right)\left(\left(i,k\right)\right)$ $\displaystyle=\widehat{a}_{\deg\left(\left(i,k\right)\right)}^{\left(i+k-1\right)}\cdot\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right)\left(\left(i,k\right)\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{by the definition of }\left(\widehat{a}_{0}^{\left(i+k-1\right)},\widehat{a}_{1}^{\left(i+k-1\right)},...,\widehat{a}_{n+1}^{\left(i+k-1\right)}\right)\flat\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right)\right)$ $\displaystyle=\widehat{a}_{i+k-1}^{\left(i+k-1\right)}\cdot\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right)\left(\left(i,k\right)\right)\ \ \ \ \ \ \ \ \ \ \left(\text{since }\deg\left(\left(i,k\right)\right)=i+k-1\right)$ $\displaystyle=\dfrac{1}{f\left(0\right)f\left(1\right)}\cdot\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right)\left(\left(i,k\right)\right)$ (since the definition of $\widehat{a}_{i+k-1}^{\left(i+k-1\right)}$ yields $\displaystyle\widehat{a}_{i+k-1}^{\left(i+k-1\right)}$ $\displaystyle=\left\\{\begin{array}[c]{c}\dfrac{a_{n+1}a_{\left(i+k-1\right)-\left(i+k-1\right)}}{a_{n+1-\left(i+k-1\right)}},\ \ \ \ \ \ \ \ \ \ \text{if }i+k-1\geqslant i+k-1;\\\ \dfrac{a_{n+1+\left(i+k-1\right)-\left(i+k-1\right)}a_{0}}{a_{n+1-\left(i+k-1\right)}},\ \ \ \ \ \ \ \ \ \ \text{if }i+k-1<i+k-1\end{array}\right.$ $\displaystyle=\dfrac{a_{n+1}a_{\left(i+k-1\right)-\left(i+k-1\right)}}{a_{n+1-\left(i+k-1\right)}}\ \ \ \ \ \ \ \ \ \ \left(\text{since }i+k-1\geqslant i+k-1\right)$ $\displaystyle=\dfrac{a_{n+1}a_{0}}{a_{n-i-k+2}}=\underbrace{a_{n+1}}_{=\dfrac{1}{f\left(1\right)}}\underbrace{a_{0}}_{=\dfrac{1}{f\left(0\right)}}\ \ \ \ \ \ \ \ \ \ \left(\text{since }a_{n-i-k+2}=1\right)$ $\displaystyle=\dfrac{1}{f\left(0\right)f\left(1\right)}$ ). Thus, (66) rewrites as $f^{\prime}\left(\left(p+1-i,q+1-k\right)\right)=\dfrac{1}{\dfrac{1}{f\left(0\right)f\left(1\right)}\cdot\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right)\left(\left(i,k\right)\right)}=\dfrac{f\left(0\right)f\left(1\right)}{\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right)\left(\left(i,k\right)\right)}.$ This rewrites as $f\left(\left(p+1-i,q+1-k\right)\right)=\dfrac{f\left(0\right)f\left(1\right)}{\left(R_{\operatorname*{Rect}\left(p,q\right)}^{i+k-1}f\right)\left(\left(i,k\right)\right)}$ (since we know that $f^{\prime}\left(\left(p+1-i,q+1-k\right)\right)=f\left(\left(p+1-i,q+1-k\right)\right)$). This proves Theorem 11.7. ∎ ## 17 The $\vartriangleright$ triangle Having proven the main properties of birational rowmotion $R$ on the rectangle $\operatorname*{Rect}\left(p,q\right)$ and on skeletal posets, we now turn to other posets. We will spend the next three sections discussing the order of birational rowmotion on certain triangle-shaped posets obtained as subsets of the square $\operatorname*{Rect}\left(p,p\right)$. We start with the easiest case: ###### Definition 17.1. Let $p$ be a positive integer. Define a subset $\operatorname*{Tria}\left(p\right)$ of $\operatorname*{Rect}\left(p,p\right)$ by $\operatorname*{Tria}\left(p\right)=\left\\{\left(i,k\right)\in\left\\{1,2,...,p\right\\}^{2}\ \mid\ i\leqslant k\right\\}.$ This subset $\operatorname*{Tria}\left(p\right)$ inherits a poset structure from $\operatorname*{Rect}\left(p,p\right)$. In the following, we will consider $\operatorname*{Tria}\left(p\right)$ as a poset using this structure. This poset $\operatorname*{Tria}\left(p\right)$ is a $\left(2p-1\right)$-graded poset. It has the form of a triangle (either of $\vartriangleleft$ shape or of $\vartriangleright$ shape, depending on how you draw the Hasse diagram). ###### Example 17.2. 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120.45535pt\raise-156.47733pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ And here is the Hasse diagram of the poset $\operatorname*{Tria}\left(4\right)$ itself: $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 3.0pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&&&&\\\&&&&&&\\\&&&&&&\\\&&&&&&\\\&&&&&&\\\&&&&&&\\\&&&&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 22.19989pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 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0.0pt\hbox{$\textstyle{\left(2,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 63.9332pt\raise-107.1997pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 83.44427pt\raise-107.1997pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,3\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 125.17758pt\raise-107.1997pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-133.99963pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise-133.99963pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise-133.99963pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 33.311pt\raise-133.99963pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 52.82208pt\raise-133.99963pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 94.55539pt\raise-133.99963pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 125.17758pt\raise-133.99963pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-160.79956pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise-160.79956pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise-160.79956pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 22.19989pt\raise-160.79956pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,1\right)}$}}}}}}}{\hbox{\kern 63.9332pt\raise-160.79956pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 94.55539pt\raise-160.79956pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 125.17758pt\raise-160.79956pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ ###### Remark 17.3. Let $p$ be a positive integer. The poset $\operatorname*{Tria}\left(p\right)$ appears in [StWi11, §6.2] under the guise of the poset of order ideals (under inclusion) of the rectangle $\operatorname*{Rect}\left(2,p-1\right)$. In fact, it is easily checked that the poset of order ideals just mentioned (denoted by $J\left(\left[2\right]\times\left[p-1\right]\right)$ in [StWi11]) is isomorphic to $\operatorname*{Tria}\left(p\right)$. We could also consider the subset $\left\\{\left(i,k\right)\in\left\\{1,2,...,p\right\\}^{2}\ \mid\ i\geqslant k\right\\}$, but that would yield a poset isomorphic to $\operatorname*{Tria}\left(p\right)$ and thus would not be of any further interest. ###### Theorem 17.4. Let $p$ be a positive integer. Let $\mathbb{K}$ be a field. Then, $\operatorname*{ord}\left(R_{\operatorname*{Tria}\left(p\right)}\right)=2p$. This theorem yields $\operatorname*{ord}\left(\overline{R}_{\operatorname*{Tria}\left(p\right)}\right)\mid 2p$. It can be shown that actually $\operatorname*{ord}\left(\overline{R}_{\operatorname*{Tria}\left(p\right)}\right)=2p$ for $p>3$, while $\operatorname*{ord}\left(\overline{R}_{\operatorname*{Tria}\left(1\right)}\right)=1$, $\operatorname*{ord}\left(\overline{R}_{\operatorname*{Tria}\left(2\right)}\right)=1$ and $\operatorname*{ord}\left(\overline{R}_{\operatorname*{Tria}\left(3\right)}\right)=2$. Again, Theorem 17.4 is the birational version of a known result on classical rowmotion: From [StWi11, Theorem 6.2] (and our Remark 17.3), it follows that $\operatorname*{ord}\left(\mathbf{r}_{\operatorname*{Tria}\left(p\right)}\right)=2p$ (using the notations of Definition 10.7 and Definition 10.28). Theorem 17.4 thus shows that birational rowmotion and classical rowmotion have the same order for $\operatorname*{Tria}\left(p\right)$. In order to prove Theorem 17.4, we need a way to turn labellings of $\operatorname*{Tria}\left(p\right)$ into labellings of $\operatorname*{Rect}\left(p,p\right)$ in a rowmotion-equivariant way. It turns out that the obvious “unfolding” construction (with some fudge coefficients) works: ###### Lemma 17.5. Let $p$ be a positive integer. Let $\mathbb{K}$ be a field of characteristic $\neq 2$. (a) Let $\operatorname*{vrefl}:\operatorname*{Rect}\left(p,p\right)\rightarrow\operatorname*{Rect}\left(p,p\right)$ be the map sending every $\left(i,k\right)\in\operatorname*{Rect}\left(p,p\right)$ to $\left(k,i\right)$. This map $\operatorname*{vrefl}$ is an involutive poset automorphism of $\operatorname*{Rect}\left(p,p\right)$. (In intuitive terms, $\operatorname*{vrefl}$ is simply reflection across the vertical axis.) We have $\operatorname*{vrefl}\left(v\right)\in\operatorname*{Tria}\left(p\right)$ for every $v\in\operatorname*{Rect}\left(p,p\right)\setminus\operatorname*{Tria}\left(p\right)$. We extend $\operatorname*{vrefl}$ to an involutive poset automorphism of $\widehat{\operatorname*{Rect}\left(p,p\right)}$ by setting $\operatorname*{vrefl}\left(0\right)=0$ and $\operatorname*{vrefl}\left(1\right)=1$. (b) Define a map $\operatorname*{dble}:\mathbb{K}^{\widehat{\operatorname*{Tria}\left(p\right)}}\rightarrow\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,p\right)}}$ by setting $\left(\operatorname*{dble}f\right)\left(v\right)=\left\\{\begin{array}[c]{l}\dfrac{1}{2}f\left(1\right),\ \ \ \ \ \ \ \ \ \ \text{if }v=1;\\\ 2f\left(0\right),\ \ \ \ \ \ \ \ \ \ \text{if }v=0;\\\ f\left(v\right),\ \ \ \ \ \ \ \ \ \ \text{if }v\in\operatorname*{Tria}\left(p\right);\\\ f\left(\operatorname*{vrefl}\left(v\right)\right),\ \ \ \ \ \ \ \ \ \ \text{otherwise}\end{array}\right.$ for all $v\in\widehat{\operatorname*{Rect}\left(p,p\right)}$ for all $f\in\mathbb{K}^{\widehat{\operatorname*{Tria}\left(p\right)}}$. This is well- defined. We have $\left(\operatorname*{dble}f\right)\left(v\right)=f\left(v\right)\ \ \ \ \ \ \ \ \ \ \text{for every }v\in\operatorname*{Tria}\left(p\right).$ (67) Also, $\left(\operatorname*{dble}f\right)\left(\operatorname*{vrefl}\left(v\right)\right)=f\left(v\right)\ \ \ \ \ \ \ \ \ \ \text{for every }v\in\operatorname*{Tria}\left(p\right).$ (68) (c) We have $R_{\operatorname*{Rect}\left(p,p\right)}\circ\operatorname*{dble}=\operatorname*{dble}\circ R_{\operatorname*{Tria}\left(p\right)}.$ The coefficients $\dfrac{1}{2}$ and $2$ in the definition of $\operatorname*{dble}$ ensure that the equality $R_{\operatorname*{Rect}\left(p,p\right)}\circ\operatorname*{dble}=\operatorname*{dble}\circ R_{\operatorname*{Tria}\left(p\right)}$ in part (c) of the Lemma holds on the level of labellings and not just up to homogeneous equivalence. ###### Proof of Lemma 17.5 (sketched).. (a) Obvious. (b) The well-definedness of $\operatorname*{dble}$ is pretty obvious. The relation (67) follows from the definition of $\operatorname*{dble}$. The relation (68) follows from the fact that every $v\in\operatorname*{Tria}\left(p\right)$ satisfies either $\operatorname*{vrefl}\left(v\right)\notin\operatorname*{Tria}\left(p\right)\cup\left\\{0,1\right\\}$ (in which case the definition of $\operatorname*{dble}f$ yields $\left(\operatorname*{dble}f\right)\left(\operatorname*{vrefl}\left(v\right)\right)=f\left(\underbrace{\operatorname*{vrefl}\left(\operatorname*{vrefl}\left(v\right)\right)}_{=v}\right)=f\left(v\right)$) or $\operatorname*{vrefl}\left(v\right)=v$ (in which case $\left(\operatorname*{dble}f\right)\left(\underbrace{\operatorname*{vrefl}\left(v\right)}_{=v}\right)=\left(\operatorname*{dble}f\right)\left(v\right)=f\left(v\right)$ again by the definition of $\operatorname*{dble}f$). This proves Lemma 17.5 (b). (c) We need to check that $\operatorname*{dble}\circ R_{\operatorname*{Tria}\left(p\right)}=R_{\operatorname*{Rect}\left(p,p\right)}\circ\operatorname*{dble}$. In other words, we have to prove that $\left(\operatorname*{dble}\circ R_{\operatorname*{Tria}\left(p\right)}\right)f=\left(R_{\operatorname*{Rect}\left(p,p\right)}\circ\operatorname*{dble}\right)f$ for every $f\in\mathbb{K}^{\widehat{\operatorname*{Tria}\left(p\right)}}$ for which $R_{\operatorname*{Tria}\left(p\right)}\left(f\right)$ is well-defined. So let $f\in\mathbb{K}^{\widehat{\operatorname*{Tria}\left(p\right)}}$ be such that $R_{\operatorname*{Tria}\left(p\right)}\left(f\right)$ is well-defined. Set $f^{\prime}=\operatorname*{dble}f$ and $g=R_{\operatorname*{Tria}\left(p\right)}f$. Set $g^{\prime}=\operatorname*{dble}g$. Then, $\left(\operatorname*{dble}\circ R_{\operatorname*{Tria}\left(p\right)}\right)f=\operatorname*{dble}\left(\underbrace{R_{\operatorname*{Tria}\left(p\right)}f}_{=g}\right)=\operatorname*{dble}g=g^{\prime}$ and $\left(R_{\operatorname*{Rect}\left(p,p\right)}\circ\operatorname*{dble}\right)f=R_{\operatorname*{Rect}\left(p,p\right)}\left(\underbrace{\operatorname*{dble}f}_{=f^{\prime}}\right)=R_{\operatorname*{Rect}\left(p,p\right)}f^{\prime}.$ Thus, our goal (namely, to prove that $\left(\operatorname*{dble}\circ R_{\operatorname*{Tria}\left(p\right)}\right)f=\left(R_{\operatorname*{Rect}\left(p,p\right)}\circ\operatorname*{dble}\right)f$) is equivalent to showing that $g^{\prime}=R_{\operatorname*{Rect}\left(p,p\right)}f^{\prime}$. So we need to prove that $g^{\prime}=R_{\operatorname*{Rect}\left(p,p\right)}f^{\prime}$. Since $f^{\prime}\left(0\right)=g^{\prime}\left(0\right)$ (because the operation $\operatorname*{dble}$ multiplies the label at $0$ with $2$, while the operation $R_{\operatorname*{Tria}\left(p\right)}$ leaves it unchanged) and $f^{\prime}\left(1\right)=g^{\prime}\left(1\right)$ (for a similar reason), we know from Proposition 2.19 (applied to $\operatorname*{Rect}\left(p,p\right)$, $f^{\prime}$ and $g^{\prime}$ instead of $P$, $f$ and $g$) that this will be done if we can show that $g^{\prime}\left(v\right)=\dfrac{1}{f^{\prime}\left(v\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,p\right)};\\\ u\lessdot v\end{subarray}}f^{\prime}\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,p\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g^{\prime}\left(u\right)}}\ \ \ \ \ \ \ \ \ \ \text{for every }v\in\operatorname*{Rect}\left(p,p\right).$ (69) Our goal is therefore to prove (69). But every $v\in\operatorname*{Tria}\left(p\right)$ satisfies $g\left(v\right)=\left(R_{\operatorname*{Tria}\left(p\right)}f\right)\left(v\right)=\dfrac{1}{f\left(v\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Tria}\left(p\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Tria}\left(p\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{\left(R_{\operatorname*{Tria}\left(p\right)}f\right)\left(u\right)}}$ (by Proposition 2.16, applied to $\operatorname*{Tria}\left(p\right)$ instead of $P$). Since $R_{\operatorname*{Tria}\left(p\right)}f=g$, this rewrites as $g\left(v\right)=\dfrac{1}{f\left(v\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Tria}\left(p\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Tria}\left(p\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}}.$ (70) Now, let us prove (69). So fix $v\in\operatorname*{Rect}\left(p,p\right)$. Write $v$ in the form $v=\left(i,k\right)\in\left\\{1,2,...,p\right\\}^{2}$. We distinguish between three cases: Case 1: We have $i<k$. Case 2: We have $i=k$. Case 3: We have $i>k$. Let us first consider Case 1. In this case, $i<k$. As a consequence, every $u\in\widehat{\operatorname*{Rect}\left(p,p\right)}$ satisfying $u\lessdot v$ lies in $\operatorname*{Tria}\left(p\right)$. Hence, every $u\in\widehat{\operatorname*{Rect}\left(p,p\right)}$ satisfying $u\lessdot v$ satisfies $\underbrace{f^{\prime}}_{=\operatorname*{dble}f}\left(u\right)=\left(\operatorname*{dble}f\right)\left(u\right)=f\left(u\right)$ (71) (by (67)). Thus, $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,p\right)};\\\ u\lessdot v\end{subarray}}\underbrace{f^{\prime}\left(u\right)}_{=f\left(u\right)}=\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,p\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)=\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Tria}\left(p\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)$ (72) (since the elements $u\in\widehat{\operatorname*{Tria}\left(p\right)}$ such that $u\lessdot v$ are precisely the elements $u\in\widehat{\operatorname*{Rect}\left(p,p\right)}$ such that $u\lessdot v$). Also, every $u\in\widehat{\operatorname*{Rect}\left(p,p\right)}$ satisfying $u\gtrdot v$ lies in $\operatorname*{Tria}\left(p\right)$. Hence, every $u\in\widehat{\operatorname*{Rect}\left(p,p\right)}$ satisfying $u\gtrdot v$ satisfies $\underbrace{g^{\prime}}_{=\operatorname*{dble}g}\left(u\right)=\left(\operatorname*{dble}g\right)\left(u\right)=g\left(u\right)$ (73) (by (67)). Hence, $\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,p\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g^{\prime}\left(u\right)}=\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,p\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}=\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Tria}\left(p\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}$ (74) (because the elements $u\in\widehat{\operatorname*{Tria}\left(p\right)}$ such that $u\gtrdot v$ are precisely the elements $u\in\widehat{\operatorname*{Rect}\left(p,p\right)}$ such that $u\gtrdot v$). Finally, from $i<k$, we have $v\in\operatorname*{Tria}\left(p\right)$, so that $\underbrace{f^{\prime}}_{=\operatorname*{dble}f}\left(v\right)=\left(\operatorname*{dble}f\right)\left(v\right)=f\left(v\right)$ (by (67)) and similarly $g^{\prime}\left(v\right)=g\left(v\right)$. Using the equalities (72) and (74) as well as $f^{\prime}\left(v\right)=f\left(v\right)$ and $g^{\prime}\left(v\right)=g\left(v\right)$, we can rewrite (69) as $g\left(v\right)=\dfrac{1}{f\left(v\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Tria}\left(p\right)};\\\ u\lessdot v\end{subarray}}f\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Tria}\left(p\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g\left(u\right)}}.$ But this follows from (70). Since (70) is known to hold, we thus have proven (69) in Case 1. Let us next consider Case 3. It is very easy to check that every $h\in\operatorname*{dble}\left(\mathbb{K}^{\widehat{\operatorname*{Tria}\left(p\right)}}\right)$ satisfies $h\left(\operatorname*{vrefl}\left(w\right)\right)=h\left(w\right)$ for every $w\in\widehat{\operatorname*{Rect}\left(p,p\right)}$. Applied to $h=f^{\prime}$ (which belongs to $\operatorname*{dble}\left(\mathbb{K}^{\widehat{\operatorname*{Tria}\left(p\right)}}\right)$ because $f^{\prime}=\operatorname*{dble}f$), this yields $f^{\prime}\left(\operatorname*{vrefl}\left(w\right)\right)=f^{\prime}\left(w\right)$ for every $w\in\widehat{\operatorname*{Rect}\left(p,p\right)}$. But applied to $h=g^{\prime}$ (which belongs to $\operatorname*{dble}\left(\mathbb{K}^{\widehat{\operatorname*{Tria}\left(p\right)}}\right)$ because $g^{\prime}=\operatorname*{dble}g$), the same property yields $g^{\prime}\left(\operatorname*{vrefl}\left(w\right)\right)=g^{\prime}\left(w\right)$ for every $w\in\widehat{\operatorname*{Rect}\left(p,p\right)}$. We thus can rewrite the equality (69) (which we desire to prove) by replacing each $g^{\prime}\left(w\right)$ by $g^{\prime}\left(\operatorname*{vrefl}\left(w\right)\right)$ and by replacing each $f^{\prime}\left(w\right)$ by $f^{\prime}\left(\operatorname*{vrefl}\left(w\right)\right)$. Additionally, we can replace “$u\lessdot v$” by “$\operatorname*{vrefl}\left(u\right)\lessdot\operatorname*{vrefl}\left(v\right)$”, and replace “$u\gtrdot v$” by “$\operatorname*{vrefl}\left(u\right)\gtrdot\operatorname*{vrefl}\left(v\right)$”. Consequently, (69) rewrites as $g^{\prime}\left(\operatorname*{vrefl}\left(v\right)\right)=\dfrac{1}{f^{\prime}\left(\operatorname*{vrefl}\left(v\right)\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,p\right)};\\\ \operatorname*{vrefl}\left(u\right)\lessdot\operatorname*{vrefl}\left(v\right)\end{subarray}}f^{\prime}\left(\operatorname*{vrefl}\left(u\right)\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,p\right)};\\\ \operatorname*{vrefl}\left(u\right)\gtrdot\operatorname*{vrefl}\left(v\right)\end{subarray}}\dfrac{1}{g^{\prime}\left(\operatorname*{vrefl}\left(u\right)\right)}}.$ (75) This equality can be simplified further by substituting $u$ for $\operatorname*{vrefl}\left(u\right)$ on its right hand side: $g^{\prime}\left(\operatorname*{vrefl}\left(v\right)\right)=\dfrac{1}{f^{\prime}\left(\operatorname*{vrefl}\left(v\right)\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,p\right)};\\\ u\lessdot\operatorname*{vrefl}\left(v\right)\end{subarray}}f^{\prime}\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,p\right)};\\\ u\gtrdot\operatorname*{vrefl}\left(v\right)\end{subarray}}\dfrac{1}{g^{\prime}\left(u\right)}}.$ (76) This is precisely the statement of (69) with $\operatorname*{vrefl}\left(v\right)$ instead of $v$. But since we are in Case 3 with our element $v$, we have $i>k$, so that $k<i$, and thus the element $\operatorname*{vrefl}\left(v\right)=\left(k,i\right)$ of $\operatorname*{Rect}\left(p,p\right)$ is in Case 1. Having already verified (69) in Case 1, we can thus apply (69) to $\operatorname*{vrefl}\left(v\right)$ instead of $v$, and conclude that (76) holds. This, as we know, is equivalent to (69), and so (69) is proven in Case 3. Let us finally consider Case 2. In this case, $i=k$. Thus, $v=\left(i,\underbrace{k}_{=i}\right)=\left(i,i\right)$. Hence, $v\in\widehat{\operatorname*{Tria}\left(p\right)}$. Thus, $\underbrace{f^{\prime}}_{=\operatorname*{dble}f}\left(v\right)=\left(\operatorname*{dble}f\right)\left(v\right)=f\left(v\right)$ (by (67), since $v\in\operatorname*{Tria}\left(p\right)$). Similarly, $g^{\prime}\left(v\right)=g\left(v\right)$. We should now consider four subcases, depending on whether $i\notin\left\\{1,p\right\\}$ or $i=1\neq p$ or $i=p\neq 1$ or $i=1=p$. But we are only going to deal with the first of these subcases here, leaving the other three to the reader. So let us consider the subcase when $i\notin\left\\{1,p\right\\}$. We have $v=\left(i,i\right)$. Thus, the only element $u\in\widehat{\operatorname*{Tria}\left(p\right)}$ such that $u\gtrdot v$ is $\left(i,i+1\right)$, and the only element $u\in\widehat{\operatorname*{Tria}\left(p\right)}$ such that $u\lessdot v$ is $\left(i-1,i\right)$. Thus, (70) simplifies to $g\left(v\right)=\dfrac{1}{f\left(v\right)}\cdot\dfrac{f\left(\left(i-1,i\right)\right)}{\left(\dfrac{1}{g\left(\left(i,i+1\right)\right)}\right)}.$ (77) Now, recall that $g^{\prime}=\operatorname*{dble}g$. From the definition of $\operatorname*{dble}g$, it therefore follows easily that $g^{\prime}\left(\left(i,i+1\right)\right)=g\left(\left(i,i+1\right)\right)$ and $g^{\prime}\left(\left(i+1,i\right)\right)=g\left(\left(i,i+1\right)\right)$. Also, $f^{\prime}=\operatorname*{dble}f$. From the definition of $\operatorname*{dble}f$, we thus obtain $f^{\prime}\left(\left(i-1,i\right)\right)=f\left(\left(i-1,i\right)\right)$ and $f^{\prime}\left(\left(i,i-1\right)\right)=f\left(\left(i-1,i\right)\right)$. But the elements $u\in\widehat{\operatorname*{Rect}\left(p,p\right)}$ such that $u\gtrdot v$ are precisely $\left(i+1,i\right)$ and $\left(i,i+1\right)$, and the elements $u\in\widehat{\operatorname*{Rect}\left(p,p\right)}$ such that $u\lessdot v$ are precisely $\left(i-1,i\right)$ and $\left(i,i-1\right)$. Thus, the right hand side of (69) simplifies as follows: $\displaystyle\dfrac{1}{f^{\prime}\left(v\right)}\cdot\dfrac{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,p\right)};\\\ u\lessdot v\end{subarray}}f^{\prime}\left(u\right)}{\sum\limits_{\begin{subarray}{c}u\in\widehat{\operatorname*{Rect}\left(p,p\right)};\\\ u\gtrdot v\end{subarray}}\dfrac{1}{g^{\prime}\left(u\right)}}$ $\displaystyle=\dfrac{1}{f^{\prime}\left(v\right)}\cdot\dfrac{f^{\prime}\left(\left(i-1,i\right)\right)+f^{\prime}\left(\left(i,i-1\right)\right)}{\dfrac{1}{g^{\prime}\left(\left(i+1,i\right)\right)}+\dfrac{1}{g^{\prime}\left(\left(i,i+1\right)\right)}}=\dfrac{1}{f\left(v\right)}\cdot\dfrac{f\left(\left(i-1,i\right)\right)+f\left(\left(i-1,i\right)\right)}{\dfrac{1}{g\left(\left(i,i+1\right)\right)}+\dfrac{1}{g\left(\left(i,i+1\right)\right)}}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\begin{array}[c]{c}\text{since }f^{\prime}\left(\left(i-1,i\right)\right)=f\left(\left(i-1,i\right)\right)\text{, }f^{\prime}\left(\left(i,i-1\right)\right)=f\left(\left(i-1,i\right)\right)\text{,}\\\ g^{\prime}\left(\left(i+1,i\right)\right)=g\left(\left(i,i+1\right)\right)\text{, }g^{\prime}\left(\left(i,i+1\right)\right)=g\left(\left(i,i+1\right)\right)\\\ \text{and }f^{\prime}\left(v\right)=f\left(v\right)\end{array}\right)$ $\displaystyle=\dfrac{1}{f\left(v\right)}\cdot\dfrac{2\cdot f\left(\left(i-1,i\right)\right)}{2\cdot\dfrac{1}{g\left(\left(i,i+1\right)\right)}}=\dfrac{1}{f\left(v\right)}\cdot\dfrac{f\left(\left(i-1,i\right)\right)}{\left(\dfrac{1}{g\left(\left(i,i+1\right)\right)}\right)}=g\left(v\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by (\ref{pf.Leftri.vrefl.5})}\right)$ $\displaystyle=g^{\prime}\left(v\right).$ In other words, (69) is proven in Case 2. We have now proven (69) in all three cases (not counting the subcases which we left to the reader to “enjoy”). Thus, (69) holds, and as we know this yields that $g^{\prime}=R_{\operatorname*{Rect}\left(p,p\right)}f^{\prime}$. Lemma 17.5 (c) is thus proven. ∎ ###### Proof of Theorem 17.4 (sketched).. Applying Proposition 7.3 to $2p-1$ and $\operatorname*{Tria}\left(p\right)$ instead of $n$ and $P$, we obtain $\operatorname*{ord}\left(R_{\operatorname*{Tria}\left(p\right)}\right)=\operatorname{lcm}\left(2p-1+1,\operatorname*{ord}\left(\overline{R}_{\operatorname*{Tria}\left(p\right)}\right)\right)$. Hence, $\operatorname*{ord}\left(R_{\operatorname*{Tria}\left(p\right)}\right)$ is divisible by $2p-1+1=2p$. Now, if we can prove that $\operatorname*{ord}\left(R_{\operatorname*{Tria}\left(p\right)}\right)\mid 2p$, then we will immediately obtain $\operatorname*{ord}\left(R_{\operatorname*{Tria}\left(p\right)}\right)=2p$, and Theorem 17.4 will be proven. So let us show that $\operatorname*{ord}\left(R_{\operatorname*{Tria}\left(p\right)}\right)\mid 2p$. This means showing that $R_{\operatorname*{Tria}\left(p\right)}^{2p}=\operatorname*{id}$. Since this statement boils down to a collection of polynomial identities in the labels of an arbitrary $\mathbb{K}$-labelling of $\operatorname*{Tria}\left(p\right)$, it is clear that it is enough to prove it in the case when $\mathbb{K}$ is a field of rational functions in finitely many variables over $\mathbb{Q}$. So let us WLOG assume that $\mathbb{K}$ is a field of rational functions in finitely many variables over $\mathbb{Q}$. Then, the characteristic of $\mathbb{K}$ is $\neq 2$ (it is $0$ indeed), so that we can apply Lemma 17.5. Let us use the notations of Lemma 17.5. Lemma 17.5 (c) yields $R_{\operatorname*{Rect}\left(p,p\right)}\circ\operatorname*{dble}=\operatorname*{dble}\circ R_{\operatorname*{Tria}\left(p\right)}.$ From this, it follows (by induction over $k$) that $R_{\operatorname*{Rect}\left(p,p\right)}^{k}\circ\operatorname*{dble}=\operatorname*{dble}\circ R_{\operatorname*{Tria}\left(p\right)}^{k}$ for every $k\in\mathbb{N}$. Applied to $k=2p$, this yields $R_{\operatorname*{Rect}\left(p,p\right)}^{2p}\circ\operatorname*{dble}=\operatorname*{dble}\circ R_{\operatorname*{Tria}\left(p\right)}^{2p}.$ (78) But Theorem 11.5 (applied to $q=p$) yields $\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,p\right)}\right)=p+p=2p$, so that $R_{\operatorname*{Rect}\left(p,p\right)}^{2p}=\operatorname*{id}$. Hence, (78) simplifies to $\operatorname*{dble}=\operatorname*{dble}\circ R_{\operatorname*{Tria}\left(p\right)}^{2p}.$ We can cancel $\operatorname*{dble}$ from this equation, because $\operatorname*{dble}$ is an injective and therefore left-cancellable map. As a consequence, we obtain $\operatorname*{id}=R_{\operatorname*{Tria}\left(p\right)}^{2p}$. In other words, $R_{\operatorname*{Tria}\left(p\right)}^{2p}=\operatorname*{id}$. This proves Theorem 17.4. ∎ ## 18 The $\Delta$ and $\nabla$ triangles The next kind of triangle-shaped posets is more interesting. ###### Definition 18.1. Let $p$ be a positive integer. Define three subsets $\Delta\left(p\right)$, $\operatorname*{Eq}\left(p\right)$ and $\nabla\left(p\right)$ of $\operatorname*{Rect}\left(p,p\right)=\left\\{1,2,...,p\right\\}\times\left\\{1,2,...,p\right\\}=\left\\{1,2,...,p\right\\}^{2}$ by $\displaystyle\Delta\left(p\right)$ $\displaystyle=\left\\{\left(i,k\right)\in\left\\{1,2,...,p\right\\}^{2}\ \mid\ i+k>p+1\right\\};$ $\displaystyle\operatorname*{Eq}\left(p\right)$ $\displaystyle=\left\\{\left(i,k\right)\in\left\\{1,2,...,p\right\\}^{2}\ \mid\ i+k=p+1\right\\};$ $\displaystyle\nabla\left(p\right)$ $\displaystyle=\left\\{\left(i,k\right)\in\left\\{1,2,...,p\right\\}^{2}\ \mid\ i+k<p+1\right\\}.$ These subsets $\Delta\left(p\right)$, $\operatorname*{Eq}\left(p\right)$ and $\nabla\left(p\right)$ inherit a poset structure from $\operatorname*{Rect}\left(p,p\right)$. In the following, we will consider $\Delta\left(p\right)$, $\operatorname*{Eq}\left(p\right)$ and $\nabla\left(p\right)$ as posets using this structure. Clearly, $\operatorname*{Eq}\left(p\right)$ is an antichain with $p$ elements. (The name $\operatorname*{Eq}$ comes from “equator”.) The posets $\Delta\left(p\right)$ and $\nabla\left(p\right)$ are $\left(p-1\right)$-graded posets. They have the form of a “Delta-shaped triangle” and a “Nabla-shaped triangle”, respectively (whence the names). ###### Example 18.2. Here is the Hasse diagram of the poset $\operatorname*{Rect}\left(4,4\right)$, where the elements belonging to $\Delta\left(4\right)$ have been underlined and the elements belonging to $\operatorname*{Eq}\left(4\right)$ have been boxed: $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 14.11111pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&&&&\\\&&&&&&\\\&&&&&&\\\&&&&&&\\\&&&&&&\\\&&&&&&\\\&&&&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 27.6222pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 58.24438pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 86.36658pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 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0.0pt\hbox{$\textstyle{\framebox{$\left(4,1\right)$}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 27.6222pt\raise-69.5942pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 47.13327pt\raise-69.5942pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\framebox{$\left(3,2\right)$}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 88.86658pt\raise-69.5942pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 108.37766pt\raise-69.5942pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\framebox{$\left(2,3\right)$}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 150.11096pt\raise-69.5942pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 169.62204pt\raise-69.5942pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\framebox{$\left(1,4\right)$}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern-3.0pt\raise-96.39412pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 16.51108pt\raise-96.39412pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(3,1\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 58.24438pt\raise-96.39412pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 77.75546pt\raise-96.39412pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 119.48877pt\raise-96.39412pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 138.99985pt\raise-96.39412pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,3\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 180.73315pt\raise-96.39412pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 27.6222pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 47.13327pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,1\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 88.86658pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 108.37766pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 150.11096pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 180.73315pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 27.6222pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 58.24438pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 77.75546pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,1\right)}$}}}}}}}{\hbox{\kern 119.48877pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 150.11096pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 180.73315pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ And here is the Hasse diagram of the poset $\Delta\left(4\right)$ itself: $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 3.0pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&&&&\\\&&&&&&\\\&&&&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 16.51108pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 47.13327pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 66.64435pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(4,4\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 108.37766pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 138.99985pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 158.51093pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 16.51108pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 36.02216pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(4,3\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 77.75546pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 97.26654pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(3,4\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 138.99985pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 158.51093pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(4,2\right)}$}}}}}}}{\hbox{\kern 47.13327pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 66.64435pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(3,3\right)}$}}}}}}}{\hbox{\kern 108.37766pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 127.88873pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,4\right)}$}}}}}}}{\hbox{\kern 158.51093pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ Here, on the other hand, is the Hasse diagram of the poset $\nabla\left(4\right)$: $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 3.0pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&&&&\\\&&&&&&\\\&&&&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(3,1\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 47.13327pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 66.64435pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 108.37766pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 127.88873pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,3\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 158.51093pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 16.51108pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 36.02216pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,1\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 77.75546pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 97.26654pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 138.99985pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 158.51093pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 16.51108pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 47.13327pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 66.64435pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,1\right)}$}}}}}}}{\hbox{\kern 108.37766pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 138.99985pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 158.51093pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ ###### Remark 18.3. Let $p$ be a positive integer. The poset $\Delta\left(p\right)$ is isomorphic to the poset $\Phi^{+}\left(A_{p-1}\right)$ of [StWi11, §3.2]. ###### Remark 18.4. For every positive integer $p$, we have $\nabla\left(p\right)\cong\left(\Delta\left(p\right)\right)^{\operatorname*{op}}$ as posets. This follows immediately from the poset antiautomorphism $\displaystyle\operatorname*{hrefl}:\operatorname*{Rect}\left(p,p\right)$ $\displaystyle\rightarrow\operatorname*{Rect}\left(p,p\right),$ $\displaystyle\left(i,k\right)$ $\displaystyle\mapsto\left(p+1-k,p+1-i\right)$ sending $\nabla\left(p\right)$ to $\Delta\left(p\right)$. Here we are using the following notions: ###### Definition 18.5. (a) If $P$ and $Q$ are two posets, then a map $f:P\rightarrow Q$ is called a poset antihomomorphism if and only if every $p_{1}\in P$ and $p_{2}\in P$ satisfying $p_{1}\leqslant p_{2}$ in $P$ satisfy $f\left(p_{1}\right)\geqslant f\left(p_{2}\right)$ in $Q$. It is easy to see that the poset antihomomorphisms $P\rightarrow Q$ are precisely the poset homomorphisms $P\rightarrow Q^{\operatorname*{op}}$. (b) If $P$ and $Q$ are two posets, then an invertible map $f:P\rightarrow Q$ is called a poset antiisomorphism if and only if both $f$ and $f^{-1}$ are poset antihomomorphisms. (c) If $P$ is a poset and $f:P\rightarrow P$ is an invertible map, then $f$ is said to be a poset antiautomorphism if $f$ is a poset antiisomorphism. We now state the main property of birational rowmotion $R$ on the posets $\nabla\left(p\right)$ and $\Delta\left(p\right)$: ###### Theorem 18.6. Let $p$ be an integer $\geqslant 1$. Let $\mathbb{K}$ be a field. For every $\left(i,k\right)\in\nabla\left(p\right)$ and every $f\in\mathbb{K}^{\widehat{\nabla\left(p\right)}}$, we have $\left(R_{\nabla\left(p\right)}^{p}f\right)\left(\left(i,k\right)\right)=f\left(\left(k,i\right)\right).$ ###### Theorem 18.7. Let $p$ be an integer $\geqslant 1$. Let $\mathbb{K}$ be a field. For every $\left(i,k\right)\in\Delta\left(p\right)$ and every $f\in\mathbb{K}^{\widehat{\Delta\left(p\right)}}$, we have $\left(R_{\Delta\left(p\right)}^{p}f\right)\left(\left(i,k\right)\right)=f\left(\left(k,i\right)\right).$ The following two corollaries follow easily from these two theorems: ###### Corollary 18.8. Let $p$ be an integer $>1$. Let $\mathbb{K}$ be a field. Then: (a) We have $\operatorname*{ord}\left(R_{\nabla\left(p\right)}\right)\mid 2p$. (b) If $p>2$, then $\operatorname*{ord}\left(R_{\nabla\left(p\right)}\right)=2p$. ###### Corollary 18.9. Let $p$ be an integer $>1$. Let $\mathbb{K}$ be a field. Then: (a) We have $\operatorname*{ord}\left(R_{\Delta\left(p\right)}\right)\mid 2p$. (b) If $p>2$, then $\operatorname*{ord}\left(R_{\Delta\left(p\right)}\right)=2p$. Corollary 18.9 is analogous to a known result for classical rowmotion. In fact, from [StWi11, Conjecture 3.6] (originally a conjecture of Panyushev, then proven by Armstrong, Stump and Thomas) and our Remark 18.3, it can be seen that (using the notations of Definition 10.7 and Definition 10.28) every integer $p>2$ satisfies $\operatorname*{ord}\left(\mathbf{r}_{\Delta\left(p\right)}\right)=2p$. We now prepare for the proofs of Theorems 18.6 and 18.7. First of all, Corollary 18.8 is clearly equivalent to Corollary 18.9 (because of Remark 18.4 and Proposition 8.4). It is a bit more complicated to see that Theorem 18.6 is equivalent to Theorem 18.7; we will show this later. But let us first prove Theorem 18.7. The proof will use a mapping that transforms labellings of $\Delta\left(p\right)$ into labellings of $\operatorname*{Rect}\left(p,p\right)$ in a way that is rowmotion-equivariant up to homogeneous equivalence. This mapping is similar in its function to the mapping $\operatorname*{dble}$ of Lemma 17.5, but its definition is more intricate:404040See also Lemma 18.12 further below for a generalization of parts of this construction. ###### Lemma 18.10. Let $p$ be a positive integer. Clearly, $\operatorname*{Rect}\left(p,p\right)$ is the disjoint union of the sets $\Delta\left(p\right)$, $\nabla\left(p\right)$ and $\operatorname*{Eq}\left(p\right)$. Let $\mathbb{K}$ be a field of characteristic $\neq 2$. (a) Let $\operatorname*{hrefl}:\operatorname*{Rect}\left(p,p\right)\rightarrow\operatorname*{Rect}\left(p,p\right)$ be the map sending every $\left(i,k\right)\in\operatorname*{Rect}\left(p,p\right)$ to $\left(p+1-k,p+1-i\right)$. This map $\operatorname*{hrefl}$ is an involution and a poset antiautomorphism of $\operatorname*{Rect}\left(p,p\right)$. (In intuitive terms, $\operatorname*{hrefl}$ is simply reflection across the horizontal axis (i.e., the line $\operatorname*{Eq}\left(p\right)$).) We have $\operatorname*{hrefl}\mid_{\operatorname*{Eq}\left(p\right)}=\operatorname*{id}$ and $\operatorname*{hrefl}\left(\Delta\left(p\right)\right)=\nabla\left(p\right)$. We extend $\operatorname*{hrefl}$ to an involutive poset antiautomorphism of $\widehat{\operatorname*{Rect}\left(p,p\right)}$ by setting $\operatorname*{hrefl}\left(0\right)=1$ and $\operatorname*{hrefl}\left(1\right)=0$. (b) Define a rational map $\operatorname*{wing}:\mathbb{K}^{\widehat{\Delta\left(p\right)}}\dashrightarrow\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,p\right)}}$ by setting $\left(\operatorname*{wing}f\right)\left(v\right)=\left\\{\begin{array}[c]{l}f\left(v\right),\ \ \ \ \ \ \ \ \ \ \text{if }v\in\Delta\left(p\right)\cup\left\\{1\right\\};\\\ 1,\ \ \ \ \ \ \ \ \ \ \text{if }v\in\operatorname*{Eq}\left(p\right);\\\ \dfrac{1}{\left(R_{\Delta\left(p\right)}^{p-\deg v}f\right)\left(\operatorname*{hrefl}v\right)},\ \ \ \ \ \ \ \ \ \ \text{if }v\in\nabla\left(p\right)\cup\left\\{0\right\\}\end{array}\right.$ for all $v\in\widehat{\operatorname*{Rect}\left(p,p\right)}$ for all $f\in\mathbb{K}^{\widehat{\Delta\left(p\right)}}$. This is well-defined. (c) There exists a rational map $\overline{\operatorname*{wing}}:\overline{\mathbb{K}^{\widehat{\Delta\left(p\right)}}}\dashrightarrow\overline{\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,p\right)}}}$ such that the diagram $\textstyle{\mathbb{K}^{\widehat{\Delta\left(p\right)}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\pi}$$\scriptstyle{\operatorname*{wing}}$$\textstyle{\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,p\right)}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\pi}$$\textstyle{\overline{\mathbb{K}^{\widehat{\Delta\left(p\right)}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\overline{\operatorname*{wing}}}$$\textstyle{\overline{\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,p\right)}}}}$ (79) commutes. (d) The rational map $\overline{\operatorname*{wing}}$ defined in Lemma 18.10 (c) satisfies $\overline{R}_{\operatorname*{Rect}\left(p,p\right)}\circ\overline{\operatorname*{wing}}=\overline{\operatorname*{wing}}\circ\overline{R}_{\Delta\left(p\right)}.$ (e) Consider the map $\operatorname*{vrefl}:\operatorname*{Rect}\left(p,p\right)\rightarrow\operatorname*{Rect}\left(p,p\right)$ defined in Lemma 17.5. Define a map $\operatorname*{vrefl}\nolimits^{\ast}:\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,p\right)}}\rightarrow\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,p\right)}}$ by setting $\left(\operatorname*{vrefl}\nolimits^{\ast}f\right)\left(v\right)=f\left(\operatorname*{vrefl}\left(v\right)\right)\ \ \ \ \ \ \ \ \ \ \text{for all }v\in\widehat{\operatorname*{Rect}\left(p,p\right)}$ for all $f\in\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,p\right)}}$. Also, define a map $\operatorname*{vrefl}\nolimits^{\ast}:\mathbb{K}^{\widehat{\Delta\left(p\right)}}\rightarrow\mathbb{K}^{\widehat{\Delta\left(p\right)}}$ by setting $\left(\operatorname*{vrefl}\nolimits^{\ast}f\right)\left(v\right)=f\left(\operatorname*{vrefl}\left(v\right)\right)\ \ \ \ \ \ \ \ \ \ \text{for all }v\in\widehat{\Delta\left(p\right)}$ for all $f\in\mathbb{K}^{\widehat{\Delta\left(p\right)}}$. Then, $\operatorname*{vrefl}\nolimits^{\ast}\circ R_{\Delta\left(p\right)}=R_{\Delta\left(p\right)}\circ\operatorname*{vrefl}\nolimits^{\ast}$ (80) (as rational maps $\mathbb{K}^{\widehat{\Delta\left(p\right)}}\dashrightarrow\mathbb{K}^{\widehat{\Delta\left(p\right)}}$). Furthermore, $\operatorname*{vrefl}\nolimits^{\ast}\circ R_{\operatorname*{Rect}\left(p,p\right)}=R_{\operatorname*{Rect}\left(p,p\right)}\circ\operatorname*{vrefl}\nolimits^{\ast}$ (81) (as rational maps $\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,p\right)}}\dashrightarrow\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,p\right)}}$). Finally, $\operatorname*{vrefl}\nolimits^{\ast}\circ\operatorname*{wing}=\operatorname*{wing}\circ\operatorname*{vrefl}\nolimits^{\ast}$ (82) (as rational maps $\mathbb{K}^{\widehat{\Delta\left(p\right)}}\dashrightarrow\mathbb{K}^{\widehat{\operatorname*{Rect}\left(p,p\right)}}$). (f) Almost every (in the sense of Zariski topology) labelling $f\in\mathbb{K}^{\widehat{\Delta\left(p\right)}}$ satisfying $f\left(0\right)=2$ satisfies $R_{\operatorname*{Rect}\left(p,p\right)}\left(\operatorname*{wing}f\right)=\operatorname*{wing}\left(R_{\Delta\left(p\right)}f\right).$ (g) If $f$ and $g$ are two homogeneously equivalent zero-free $\mathbb{K}$-labellings of $\Delta\left(p\right)$, then $\operatorname*{vrefl}\nolimits^{\ast}f$ is homogeneously equivalent to $\operatorname*{vrefl}\nolimits^{\ast}g$. ###### Proof of Lemma 18.10 (sketched).. We will not delve into the details of this tedious and yet straightforward proof. Let us merely make some comments on the few interesting parts of it. Parts (a), (b), (c) and (g) are obvious. Part (f) can be verified label-by- label using Propositions 2.16 and 2.19 and some nasty casework. Part (d) won’t be used in the following, but can easily be derived from part (f). Part (e) more or less follows from the fact that the definitions of $R_{\Delta\left(p\right)}$, $R_{\operatorname*{Rect}\left(p,p\right)}$ and $\operatorname*{wing}$ are all “invariant” under the vertical reflection $\operatorname*{vrefl}$; but proving part (e) in a pedestrian way might be even more straightforward than formalizing this invariance argument414141Again, Propositions 2.16 and 2.19 come in handy for proving (80) and (81). Then, one can prove (by induction over $\ell$) that $\operatorname*{vrefl}\nolimits^{\ast}\circ R_{\Delta\left(p\right)}^{\ell}=R_{\Delta\left(p\right)}^{\ell}\circ\operatorname*{vrefl}\nolimits^{\ast}$ for all $\ell\in\mathbb{N}$. Using this, (82) is straightforward to check.. ∎ For easier reference, let us record a corollary of Lemma 18.10 (f): ###### Corollary 18.11. Let $p$ be a positive integer. Let $\mathbb{K}$ be a field of characteristic $\neq 2$. Consider the map $\operatorname*{wing}$ defined in Lemma 18.10. Let $\ell\in\mathbb{N}$. Then, almost every (in the sense of Zariski topology) labelling $f\in\mathbb{K}^{\widehat{\Delta\left(p\right)}}$ satisfying $f\left(0\right)=2$ satisfies $R_{\operatorname*{Rect}\left(p,p\right)}^{\ell}\left(\operatorname*{wing}f\right)=\operatorname*{wing}\left(R_{\Delta\left(p\right)}^{\ell}f\right).$ ###### Proof of Corollary 18.11 (sketched).. The proof of Corollary 18.11 is an easy induction over $\ell$ (details left to the reader), using Lemma 18.10 (f) and the fact that $R_{\Delta\left(p\right)}$ does not change the label at $1$. ∎ We can now proceed to the proof of the theorems stated at the beginning of this section: ###### Proof of Theorem 18.7 (sketched).. The result that we are striving to prove is a collection of identities between rational functions, hence boils down to a collection of polynomial identities in the labels of an arbitrary $\mathbb{K}$-labelling of $\Delta\left(p\right)$. Therefore, it is enough to prove it in the case when $\mathbb{K}$ is a field of rational functions in finitely many variables over $\mathbb{Q}$. So let us WLOG assume that we are in this case. Then, the characteristic of $\mathbb{K}$ is $\neq 2$ (it is $0$ indeed), so that we can apply Lemma 18.10 and Corollary 18.11. Consider the maps $\operatorname*{hrefl}$, $\operatorname*{wing}$, $\operatorname*{vrefl}$ and $\operatorname*{vrefl}\nolimits^{\ast}$ defined in Lemma 18.10. Clearly, it will be enough to prove that $R_{\Delta\left(p\right)}^{p}=\operatorname*{vrefl}\nolimits^{\ast}$ as rational maps $\mathbb{K}^{\widehat{\Delta\left(p\right)}}\dashrightarrow\mathbb{K}^{\widehat{\Delta\left(p\right)}}$. In other words, it will be enough to prove that $R_{\Delta\left(p\right)}^{p}g=\operatorname*{vrefl}\nolimits^{\ast}g$ for almost every $g\in\mathbb{K}^{\widehat{\Delta\left(p\right)}}$. So let $g\in\mathbb{K}^{\widehat{\Delta\left(p\right)}}$ be any sufficiently generic zero-free labelling of $\Delta\left(p\right)$. We need to show that $R_{\Delta\left(p\right)}^{p}g=\operatorname*{vrefl}\nolimits^{\ast}g$. Let us use Definition 5.2. The poset $\Delta\left(p\right)$ is $\left(p-1\right)$-graded. We can find a $\left(p+1\right)$-tuple $\left(a_{0},a_{1},...,a_{p}\right)\in\left(\mathbb{K}^{\times}\right)^{p+1}$ such that $\left(\left(a_{0},a_{1},...,a_{p}\right)\flat g\right)\left(0\right)=2$ (by setting $a_{0}=\dfrac{2}{g\left(0\right)}$, and choosing all other $a_{i}$ arbitrarily). Fix such a $\left(p+1\right)$-tuple, and set $f=\left(a_{0},a_{1},...,a_{p}\right)\flat g$. Then, $f\left(0\right)=2$. We are going to prove that $R_{\Delta\left(p\right)}^{p}f=\operatorname*{vrefl}\nolimits^{\ast}f$. Until we have done this, we can forget about $g$; all we need to know is that $f$ is a sufficiently generic $\mathbb{K}$-labelling of $\Delta\left(p\right)$ satisfying $f\left(0\right)=2$. Let $\left(i,k\right)\in\Delta\left(p\right)$ be arbitrary. Then, $i+k>p+1$ (since $\left(i,k\right)\in\Delta\left(p\right)$). Consequently, $2p-\left(i+k-1\right)$ is a well-defined element of $\left\\{1,2,...,p-1\right\\}$. Denote this element by $h$. Thus, $h\in\left\\{1,2,...,p-1\right\\}$ and $i+k-1+h=2p$. Moreover, $\left(k,i\right)=\operatorname*{vrefl}v\in\Delta\left(p\right)$. Let $v=\left(p+1-k,p+1-i\right)$. Then, $v=\operatorname*{hrefl}\left(\left(i,k\right)\right)\in\nabla\left(p\right)$ (since $\left(i,k\right)\in\Delta\left(p\right)$) and $\deg v=h$ (this follows by simple computation). Moreover, $\operatorname*{hrefl}v=\left(i,k\right)$. Applying Corollary 18.11 to $\ell=h$, we obtain $R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)=\operatorname*{wing}\left(R_{\Delta\left(p\right)}^{h}f\right)$, hence $\displaystyle\left(R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)\right)\left(v\right)$ $\displaystyle=\left(\operatorname*{wing}\left(R_{\Delta\left(p\right)}^{h}f\right)\right)\left(v\right)=\dfrac{1}{\left(R_{\Delta\left(p\right)}^{p-\deg v}\left(R_{\Delta\left(p\right)}^{h}f\right)\right)\left(\operatorname*{hrefl}v\right)}$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{by the definition of }\operatorname*{wing}\text{, since }v\in\nabla\left(p\right)\subseteq\nabla\left(p\right)\cup\left\\{0\right\\}\right)$ $\displaystyle=\dfrac{1}{\left(R_{\Delta\left(p\right)}^{p-h}\left(R_{\Delta\left(p\right)}^{h}f\right)\right)\left(\left(i,k\right)\right)}\ \ \ \ \ \ \ \ \ \ \left(\text{since }\deg v=h\text{ and }\operatorname*{hrefl}v=\left(i,k\right)\right)$ $\displaystyle=\dfrac{1}{\left(R_{\Delta\left(p\right)}^{p}f\right)\left(\left(i,k\right)\right)}\ \ \ \ \ \ \ \ \ \ \left(\text{since }R_{\Delta\left(p\right)}^{p-h}\left(R_{\Delta\left(p\right)}^{h}f\right)=\underbrace{\left(R_{\Delta\left(p\right)}^{p-h}\circ R_{\Delta\left(p\right)}^{h}\right)}_{=R_{\Delta\left(p\right)}^{p}}f=R_{\Delta\left(p\right)}^{p}f\right).$ (83) But Theorem 11.7 (applied to $p$, $R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)$ and $\left(k,i\right)$ instead of $q$, $f$ and $\left(i,k\right)$) yields $\displaystyle\left(R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)\right)\left(\left(p+1-k,p+1-i\right)\right)$ $\displaystyle=\dfrac{\left(R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)\right)\left(0\right)\cdot\left(R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)\right)\left(1\right)}{\left(R_{\operatorname*{Rect}\left(p,p\right)}^{i+k-1}\left(R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)\right)\right)\left(\left(k,i\right)\right)}.$ Since $\left(p+1-k,p+1-i\right)=v$ and $\displaystyle R_{\operatorname*{Rect}\left(p,p\right)}^{i+k-1}\left(R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)\right)$ $\displaystyle=\left(\underbrace{R_{\operatorname*{Rect}\left(p,p\right)}^{i+k-1}\circ R_{\operatorname*{Rect}\left(p,p\right)}^{h}}_{\begin{subarray}{c}=R_{\operatorname*{Rect}\left(p,p\right)}^{i+k-1+h}=R_{\operatorname*{Rect}\left(p,p\right)}^{2p}\\\ \text{(since }i+k-1+h=2p\text{)}\end{subarray}}\right)\left(\operatorname*{wing}f\right)$ $\displaystyle=\underbrace{R_{\operatorname*{Rect}\left(p,p\right)}^{2p}}_{\begin{subarray}{c}=\operatorname*{id}\\\ \text{(since Theorem \ref{thm.rect.ord} (applied to }q=p\text{)}\\\ \text{yields }\operatorname*{ord}\left(R_{\operatorname*{Rect}\left(p,p\right)}\right)=p+p=2p\text{)}\end{subarray}}\left(\operatorname*{wing}f\right)=\operatorname*{wing}f,$ this equality rewrites as $\left(R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)\right)\left(v\right)=\dfrac{\left(R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)\right)\left(0\right)\cdot\left(R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)\right)\left(1\right)}{\left(\operatorname*{wing}f\right)\left(\left(k,i\right)\right)}.$ Since $\displaystyle\underbrace{\left(R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)\right)\left(0\right)}_{\begin{subarray}{c}=\left(\operatorname*{wing}f\right)\left(0\right)\\\ \text{(by Corollary \ref{cor.R.implicit.01})}\end{subarray}}\cdot\underbrace{\left(R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)\right)\left(1\right)}_{\begin{subarray}{c}=\left(\operatorname*{wing}f\right)\left(1\right)\\\ \text{(by Corollary \ref{cor.R.implicit.01})}\end{subarray}}$ $\displaystyle=\underbrace{\left(\operatorname*{wing}f\right)\left(0\right)}_{\begin{subarray}{c}=\dfrac{1}{\left(R_{\Delta\left(p\right)}^{p-\deg 0}f\right)\left(\operatorname*{hrefl}0\right)}\\\ \text{(by the definition of }\operatorname*{wing}\text{)}\end{subarray}}\cdot\underbrace{\left(\operatorname*{wing}f\right)\left(1\right)}_{\begin{subarray}{c}=f\left(1\right)\\\ \text{(by the definition of }\operatorname*{wing}\text{)}\end{subarray}}$ $\displaystyle=\dfrac{1}{\left(R_{\Delta\left(p\right)}^{p-\deg 0}f\right)\left(\operatorname*{hrefl}0\right)}\cdot f\left(1\right)=1$ (since Corollary 2.18 yields $\left(R_{\Delta\left(p\right)}^{p-\deg 0}f\right)\left(\operatorname*{hrefl}0\right)=f\left(\operatorname*{hrefl}0\right)=f\left(1\right)$), this simplifies to $\left(R_{\operatorname*{Rect}\left(p,p\right)}^{h}\left(\operatorname*{wing}f\right)\right)\left(v\right)=\dfrac{1}{\left(\operatorname*{wing}f\right)\left(\left(k,i\right)\right)}.$ Compared with (83), this yields $\dfrac{1}{\left(R_{\Delta\left(p\right)}^{p}f\right)\left(\left(i,k\right)\right)}=\dfrac{1}{\left(\operatorname*{wing}f\right)\left(\left(k,i\right)\right)}$. Taking inverses in this equality, we get $\displaystyle\left(R_{\Delta\left(p\right)}^{p}f\right)\left(\left(i,k\right)\right)$ $\displaystyle=\left(\operatorname*{wing}f\right)\left(\left(k,i\right)\right)=f\left(\underbrace{\left(k,i\right)}_{=\operatorname*{vrefl}\left(i,k\right)}\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{by the definition of }\operatorname*{wing}\text{, since }\left(k,i\right)\in\Delta\left(p\right)\subseteq\Delta\left(p\right)\cup\left\\{1\right\\}\right)$ $\displaystyle=f\left(\operatorname*{vrefl}\left(i,k\right)\right)=\left(\operatorname*{vrefl}\nolimits^{\ast}f\right)\left(\left(i,k\right)\right)$ $\displaystyle\ \ \ \ \ \ \ \ \ \ \left(\text{since }\left(\operatorname*{vrefl}\nolimits^{\ast}f\right)\left(\left(i,k\right)\right)=f\left(\operatorname*{vrefl}\left(i,k\right)\right)\text{ by the definition of }\operatorname*{vrefl}\nolimits^{\ast}\right).$ Now, we have shown this for every $\left(i,k\right)\in\Delta\left(p\right)$. In other words, we have shown that $R_{\Delta\left(p\right)}^{p}f=\operatorname*{vrefl}\nolimits^{\ast}f$. Now, recall that $f=\left(a_{0},a_{1},...,a_{p}\right)\flat g$. Hence, $R_{\Delta\left(p\right)}^{p}f=R_{\Delta\left(p\right)}^{p}\left(\left(a_{0},a_{1},...,a_{p}\right)\flat g\right)=\left(a_{0},a_{1},...,a_{p}\right)\flat\left(R_{\Delta\left(p\right)}^{p}g\right)$ (84) (by Corollary 5.7, applied to $\Delta\left(p\right)$, $p-1$ and $g$ instead of $P$, $n$ and $f$). On the other hand, $f=\left(a_{0},a_{1},...,a_{p}\right)\flat g$ yields $\operatorname*{vrefl}\nolimits^{\ast}f=\operatorname*{vrefl}\nolimits^{\ast}\left(\left(a_{0},a_{1},...,a_{p}\right)\flat g\right)=\left(a_{0},a_{1},...,a_{p}\right)\flat\left(\operatorname*{vrefl}\nolimits^{\ast}g\right)$ (85) (this is easy to check directly using the definitions of $\flat$ and $\operatorname*{vrefl}\nolimits^{\ast}$, since $\operatorname*{vrefl}$ preserves degrees). In light of (84) and (85), the equality $R_{\Delta\left(p\right)}^{p}f=\operatorname*{vrefl}\nolimits^{\ast}f$ becomes $\left(a_{0},a_{1},...,a_{p}\right)\flat\left(R_{\Delta\left(p\right)}^{p}g\right)=\left(a_{0},a_{1},...,a_{p}\right)\flat\left(\operatorname*{vrefl}\nolimits^{\ast}g\right)$. We can cancel the “$\left(a_{0},a_{1},...,a_{p}\right)\flat$” from both sides of this equation (since all $a_{i}$ are nonzero), and thus obtain $R_{\Delta\left(p\right)}^{p}g=\operatorname*{vrefl}\nolimits^{\ast}g$. As we have seen, this is all we need to prove Theorem 18.7. ∎ We can now obtain Theorem 18.6 from Theorem 18.7 using a construction from the proof of Proposition 8.4: ###### Proof of Theorem 18.6 (sketched).. The poset antiautomorphism $\operatorname*{hrefl}$ of $\operatorname*{Rect}\left(p,p\right)$ defined in Remark 18.4 restricts to a poset antiisomorphism $\operatorname*{hrefl}:\nabla\left(p\right)\rightarrow\Delta\left(p\right)$, that is, to a poset homomorphism $\operatorname*{hrefl}:\nabla\left(p\right)\rightarrow\left(\Delta\left(p\right)\right)^{\operatorname*{op}}$. We will use this isomorphism to identify the poset $\nabla\left(p\right)$ with the opposite poset $\left(\Delta\left(p\right)\right)^{\operatorname*{op}}$ of $\Delta\left(p\right)$. Set $P=\Delta\left(p\right)$. Define a rational map $\kappa:\mathbb{K}^{\widehat{P}}\dashrightarrow\mathbb{K}^{\widehat{P^{\operatorname*{op}}}}$ as in the proof of Proposition 8.4. Then, as in said proof, it can be shown that the map $\kappa$ is a birational map and satisfies $\kappa\circ R_{P}=R_{P^{\operatorname*{op}}}^{-1}\circ\kappa$. Since $P=\Delta\left(p\right)$ and $P^{\operatorname*{op}}=\left(\Delta\left(p\right)\right)^{\operatorname*{op}}=\nabla\left(p\right)$, this rewrites as $\kappa\circ R_{\Delta\left(p\right)}=R_{\nabla\left(p\right)}^{-1}\circ\kappa$. For the same reason, we know that $\kappa$ is a rational map $\mathbb{K}^{\widehat{\Delta\left(p\right)}}\dashrightarrow\mathbb{K}^{\widehat{\nabla\left(p\right)}}$. From $\kappa\circ R_{\Delta\left(p\right)}=R_{\nabla\left(p\right)}^{-1}\circ\kappa$, we can easily obtain $\kappa\circ R_{\Delta\left(p\right)}^{m}=R_{\nabla\left(p\right)}^{-m}\circ\kappa$ for every $m\in\mathbb{N}$. In particular, $\kappa\circ R_{\Delta\left(p\right)}^{p}=R_{\nabla\left(p\right)}^{-p}\circ\kappa$. Now, consider the map $\operatorname*{vrefl}\nolimits^{\ast}:\mathbb{K}^{\widehat{\Delta\left(p\right)}}\rightarrow\mathbb{K}^{\widehat{\Delta\left(p\right)}}$ defined in Lemma 18.10 (e), and also consider the similarly defined map $\operatorname*{vrefl}\nolimits^{\ast}:\mathbb{K}^{\widehat{\nabla\left(p\right)}}\rightarrow\mathbb{K}^{\widehat{\nabla\left(p\right)}}$. Both squares of the diagram $\textstyle{\mathbb{K}^{\widehat{\Delta\left(p\right)}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{R_{\Delta\left(p\right)}^{p}}$$\scriptstyle{\kappa}$$\textstyle{\mathbb{K}^{\widehat{\Delta\left(p\right)}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\operatorname*{vrefl}^{\ast}}$$\scriptstyle{\kappa}$$\textstyle{\mathbb{K}^{\widehat{\Delta\left(p\right)}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\kappa}$$\textstyle{\mathbb{K}^{\widehat{\nabla\left(p\right)}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{R_{\nabla\left(p\right)}^{-p}}$$\textstyle{\mathbb{K}^{\widehat{\nabla\left(p\right)}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\operatorname*{vrefl}^{\ast}}$$\textstyle{\mathbb{K}^{\widehat{\nabla\left(p\right)}}}$ commute (the left square does so because of $\kappa\circ R_{\Delta\left(p\right)}^{p}=R_{\nabla\left(p\right)}^{-p}\circ\kappa$, and the commutativity of the right square follows from a simple calculation), and so the whole diagram commutes. In other words, $\kappa\circ\left(\operatorname*{vrefl}\nolimits^{\ast}\circ R_{\Delta\left(p\right)}^{p}\right)=\left(\operatorname*{vrefl}\nolimits^{\ast}\circ R_{\nabla\left(p\right)}^{-p}\right)\circ\kappa.$ (86) But the statement of Theorem 18.7 can be rewritten as $R_{\Delta\left(p\right)}^{p}=\operatorname*{vrefl}\nolimits^{\ast}$. Since $\operatorname*{vrefl}\nolimits^{\ast}$ is an involution (this is clear by inspection), we have $\operatorname*{vrefl}\nolimits^{\ast}=\left(\operatorname*{vrefl}\nolimits^{\ast}\right)^{-1}$, so that $\underbrace{\operatorname*{vrefl}\nolimits^{\ast}}_{=\left(\operatorname*{vrefl}\nolimits^{\ast}\right)^{-1}}\circ\underbrace{R_{\Delta\left(p\right)}^{p}}_{=\operatorname*{vrefl}\nolimits^{\ast}}=\left(\operatorname*{vrefl}\nolimits^{\ast}\right)^{-1}\circ\operatorname*{vrefl}\nolimits^{\ast}=\operatorname*{id}$. Thus, (86) simplifies to $\kappa\circ\operatorname*{id}=\left(\operatorname*{vrefl}\nolimits^{\ast}\circ R_{\nabla\left(p\right)}^{-p}\right)\circ\kappa$. In other words, $\kappa=\left(\operatorname*{vrefl}\nolimits^{\ast}\circ R_{\nabla\left(p\right)}^{-p}\right)\circ\kappa$. Since $\kappa$ is a birational map, we can cancel $\kappa$ from this identity, obtaining $\operatorname*{id}=\operatorname*{vrefl}\nolimits^{\ast}\circ R_{\nabla\left(p\right)}^{-p}$. In other words, $R_{\nabla\left(p\right)}^{p}=\operatorname*{vrefl}\nolimits^{\ast}$. But this is precisely the statement of Theorem 18.6. ∎ ###### Proof of Corollary 18.9 (sketched).. (a) Let $f\in\mathbb{K}^{\widehat{\Delta\left(p\right)}}$ be sufficiently generic. Then, every $\left(i,k\right)\in\Delta\left(p\right)$ satisfies $\displaystyle\left(\underbrace{R_{\Delta\left(p\right)}^{2p}}_{=R_{\Delta\left(p\right)}^{p}\circ R_{\Delta\left(p\right)}^{p}}f\right)\left(\left(i,k\right)\right)$ $\displaystyle=\left(\left(R_{\Delta\left(p\right)}^{p}\circ R_{\Delta\left(p\right)}^{p}\right)f\right)\left(\left(i,k\right)\right)=\left(R_{\Delta\left(p\right)}^{p}\left(R_{\Delta\left(p\right)}^{p}f\right)\right)\left(\left(i,k\right)\right)$ $\displaystyle=\left(R_{\Delta\left(p\right)}^{p}f\right)\left(\left(k,i\right)\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by Theorem \ref{thm.Delta.halfway}, applied to }R_{\Delta\left(p\right)}^{p}f\text{ instead of }f\right)$ $\displaystyle=f\left(\left(i,k\right)\right)\ \ \ \ \ \ \ \ \ \ \left(\text{by Theorem \ref{thm.Delta.halfway}, applied to }\left(k,i\right)\text{ instead of }\left(i,k\right)\right).$ Hence, the two labellings $R_{\Delta\left(p\right)}^{2p}f$ and $f$ are equal on every element of $\Delta\left(p\right)$. Since these two labellings are also equal on $0$ and $1$ (because Corollary 2.18 yields $\left(R_{\Delta\left(p\right)}^{2p}f\right)\left(0\right)=f\left(0\right)$ and $\left(R_{\Delta\left(p\right)}^{2p}f\right)\left(1\right)=f\left(1\right)$), this yields that the two labellings $R_{\Delta\left(p\right)}^{2p}f$ and $f$ are equal on every element of $\Delta\left(p\right)\cup\left\\{0,1\right\\}=\widehat{\Delta\left(p\right)}$. Hence, $R_{\Delta\left(p\right)}^{2p}f=f=\operatorname*{id}f$. Now, forget that we fixed $f$. We thus have shown that $R_{\Delta\left(p\right)}^{2p}f=\operatorname*{id}f$ for every sufficiently generic $f\in\mathbb{K}^{\widehat{\Delta\left(p\right)}}$. Hence, $R_{\Delta\left(p\right)}^{2p}=\operatorname*{id}$. In other words, $\operatorname*{ord}\left(R_{\Delta\left(p\right)}\right)\mid 2p$. This proves Corollary 18.9 (a). (b) Proving Corollary 18.9 (b) is left to the reader. ∎ ###### Proof of Corollary 18.8 (sketched).. Corollary 18.8 can be deduced from Theorem 18.6 in the same way as Corollary 18.9 is deduced from Theorem 18.7. We won’t dwell on the details. ∎ Let us conclude this section by stating a generalization of parts (b), (c), (d) and (f) of Lemma 18.10 that was pointed out by a referee. Rather than restricting itself to $\operatorname*{Rect}\left(p,p\right)$, it is concerned with an arbitrary $\left(2p-1\right)$-graded poset satisfying certain axioms (which can be informally subsumed under the slogan “symmetric with respect to degree $p$ and regular near the middle”):424242We choose to label the parts of Lemma 18.12 by (b), (c), (d) and (f), since they generalize the parts (b), (c), (d) and (f) of Lemma 18.10, respectively. ###### Lemma 18.12. Let $p$ be a positive integer. Let $P$ be a $\left(2p-1\right)$-graded finite poset. Let $\operatorname*{hrefl}:P\rightarrow P$ be an involution such that $\operatorname*{hrefl}$ is a poset antiautomorphism of $P$. (This $\operatorname*{hrefl}$ has nothing to do with the $\operatorname*{hrefl}$ defined in Lemma 18.10, although of course it is analogous to the latter.) We extend $\operatorname*{hrefl}$ to an involutive poset antiautomorphism of $\widehat{P}$ by setting $\operatorname*{hrefl}\left(0\right)=1$ and $\operatorname*{hrefl}\left(1\right)=0$. Assume that every $v\in\widehat{P}$ satisfies $\deg\left(\operatorname{hrefl}v\right)=2p-\deg v.$ (87) Let $N$ be a positive integer. Assume that, for every $v\in P$ satisfying $\deg v=p-1$, there exist precisely $N$ elements $u$ of $P$ satisfying $u\gtrdot v$. Define three subsets $\Delta$, $\operatorname*{Eq}$ and $\nabla$ of $P$ by $\displaystyle\Delta$ $\displaystyle=\left\\{v\in P\ \mid\ \deg v>p\right\\};$ $\displaystyle\operatorname*{Eq}$ $\displaystyle=\left\\{v\in P\ \mid\ \deg v=p\right\\};$ $\displaystyle\nabla$ $\displaystyle=\left\\{v\in P\ \mid\ \deg v<p\right\\}.$ Clearly, $\Delta$, $\operatorname*{Eq}$ and $\nabla$ become subposets of $P$. The poset $\operatorname*{Eq}$ is an antichain, while the posets $\Delta$ and $\nabla$ are $\left(p-1\right)$-graded. Assume that $\operatorname*{hrefl}\mid_{\operatorname*{Eq}}=\operatorname*{id}$. It is easy to see that $\operatorname*{hrefl}\left(\Delta\right)=\nabla$. Let $\mathbb{K}$ be a field such that $N$ is invertible in $\mathbb{K}$. (b) Define a rational map $\operatorname*{wing}:\mathbb{K}^{\widehat{\Delta}}\dashrightarrow\mathbb{K}^{\widehat{P}}$ by setting $\left(\operatorname*{wing}f\right)\left(v\right)=\left\\{\begin{array}[c]{l}f\left(v\right),\ \ \ \ \ \ \ \ \ \ \text{if }v\in\Delta\cup\left\\{1\right\\};\\\ 1,\ \ \ \ \ \ \ \ \ \ \text{if }v\in\operatorname*{Eq};\\\ \dfrac{1}{\left(R_{\Delta}^{p-\deg v}f\right)\left(\operatorname*{hrefl}v\right)},\ \ \ \ \ \ \ \ \ \ \text{if }v\in\nabla\cup\left\\{0\right\\}\end{array}\right.$ for all $v\in\widehat{P}$ for all $f\in\mathbb{K}^{\widehat{\Delta}}$. This is well-defined. (c) There exists a rational map $\overline{\operatorname*{wing}}:\overline{\mathbb{K}^{\widehat{\Delta}}}\dashrightarrow\overline{\mathbb{K}^{\widehat{P}}}$ such that the diagram $\textstyle{\mathbb{K}^{\widehat{\Delta}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\pi}$$\scriptstyle{\operatorname*{wing}}$$\textstyle{\mathbb{K}^{\widehat{P}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\pi}$$\textstyle{\overline{\mathbb{K}^{\widehat{\Delta}}}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{\overline{\operatorname*{wing}}}$$\textstyle{\overline{\mathbb{K}^{\widehat{P}}}}$ commutes. (d) The rational map $\overline{\operatorname*{wing}}$ defined in Lemma 18.12 (b) satisfies $\overline{R}_{P}\circ\overline{\operatorname*{wing}}=\overline{\operatorname*{wing}}\circ\overline{R}_{\Delta}.$ (f) Almost every (in the sense of Zariski topology) labelling $f\in\mathbb{K}^{\widehat{\Delta}}$ satisfying $f\left(0\right)=N$ satisfies $R_{P}\left(\operatorname*{wing}f\right)=\operatorname*{wing}\left(R_{\Delta}f\right).$ Notice that the hypothesis (87) is actually redundant (it follows from the other requirements), but we have chosen to state it because it is easily checked in practice and used in the proof. ###### Example 18.13. Let $P$ be a positive integer, and let $\mathbb{K}$ be a field of characteristic $\neq 2$. The hypotheses of Lemma 18.12 are satisfied if we set $P=\operatorname*{Rect}\left(p,p\right)$, $\operatorname*{hrefl}=\operatorname*{hrefl}$ (by this, we mean that we define $\operatorname*{hrefl}$ to be the map $\operatorname*{hrefl}$ defined in Lemma 18.10) and $N=2$. In this case, the posets $\Delta$, $\operatorname*{Eq}$ and $\nabla$ defined in Lemma 18.12 are precisely the posets $\Delta\left(p\right)$, $\operatorname*{Eq}\left(p\right)$ and $\nabla\left(p\right)$ introduced in Definition 18.1. Hence, Lemma 18.12 (when applied to this setting) yields the parts (b), (c), (d) and (f) of Lemma 18.10. ###### Example 18.14. Here is another example of a situation in which Lemma 18.12 applies. Namely, the hypotheses of Lemma 18.12 are satisfied when $p=5$, $N=3$ and $P$ is the poset with Hasse diagram | ---|--- $\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\textstyle{\bullet}$ (with $\operatorname*{hrefl}:P\rightarrow P$ being the reflection with respect to the horizontal axis of symmetry of this diagram). ###### Proof of Lemma 18.12 (sketched).. The proof of Lemma 18.12 is almost completely analogous to the proof of parts (b), (c), (d) and (f) of Lemma 18.10. Of course, several changes need to be made to the latter proof to make it apply to Lemma 18.12: for instance, * • every appearance of $\operatorname*{Rect}\left(p,p\right)$, $\Delta\left(p\right)$, $\nabla\left(p\right)$ or $\operatorname*{Eq}\left(p\right)$ must be replaced by $P$, $\Delta$, $\nabla$ or $\operatorname*{Eq}$, respectively; * • many (but not all) appearances of the number $2$ (such as its appearance in the definition of $a_{i}$) have to be replaced by $N$; * • various properties of $P$ now no longer follow from the definition of $\operatorname*{Rect}\left(p,p\right)$ (because $P$ is no longer $\operatorname*{Rect}\left(p,p\right)$), but instead have to be derived from the hypotheses of Lemma 18.12434343Most of the time, this is obvious. For instance, the fact that $\operatorname*{hrefl}\left(\Delta\right)=\nabla$ follows from (87). The only fact that is not completely trivial is that, for every $v\in P$ satisfying $\deg v=p+1$, there exist precisely $N$ elements $u$ of $P$ satisfying $u\lessdot v$. Let us prove this fact. We know that $\operatorname*{hrefl}$ is a poset antiautomorphism of $\widehat{P}$. Hence, if $u$ and $v$ are two elements of $\widehat{P}$, then we have the following equivalence of statements: $\left(u\lessdot v\right)\Longleftrightarrow\left(\operatorname*{hrefl}u\gtrdot\operatorname*{hrefl}v\right).$ (88) We also have assumed that, for every $v\in P$ satisfying $\deg v=p-1$, there exist precisely $N$ elements $u$ of $P$ satisfying $u\gtrdot v$. In other words, for every $v\in P$ satisfying $\deg v=p-1$, we have $\left(\text{the number of elements }u\text{ of }P\text{ satisfying }u\gtrdot v\right)=N.$ (89) Now, let $v\in P$ be such that $\deg v=p+1$. We need to show that there exist precisely $N$ elements $u$ of $P$ satisfying $u\lessdot v$. From (87), we obtain $\deg\left(\operatorname{hrefl}v\right)=2p-\underbrace{\deg v}_{=p+1}=2p-\left(p+1\right)=p-1$. Hence, (89) (applied to $\operatorname*{hrefl}v$ instead of $v$) yields $\left(\text{the number of elements }u\text{ of }P\text{ satisfying }u\gtrdot\operatorname*{hrefl}v\right)=N.$ (90) But $\operatorname*{hrefl}:P\rightarrow P$ is a bijection (since $\operatorname*{hrefl}$ is an involution). Thus, we can substitute $\operatorname*{hrefl}u$ for $u$ in “$\left(\text{the number of elements }u\text{ of }P\text{ satisfying }u\gtrdot\operatorname*{hrefl}v\right)$”. We thus obtain $\displaystyle\left(\text{the number of elements }u\text{ of }P\text{ satisfying }u\gtrdot\operatorname*{hrefl}v\right)$ $\displaystyle=\left(\text{the number of elements }u\text{ of }P\text{ satisfying }\underbrace{\operatorname*{hrefl}u\gtrdot\operatorname*{hrefl}v}_{\begin{subarray}{c}\text{this is equivalent to }\left(u\lessdot v\right)\\\ \text{(due to (\ref{pf.Delta.hrefl-general.d.equiv}))}\end{subarray}}\right)$ $\displaystyle=\left(\text{the number of elements }u\text{ of }P\text{ satisfying }u\lessdot v\right).$ Thus, $\displaystyle\left(\text{the number of elements }u\text{ of }P\text{ satisfying }u\lessdot v\right)$ $\displaystyle=\left(\text{the number of elements }u\text{ of }P\text{ satisfying }u\gtrdot\operatorname*{hrefl}v\right)=N$ (by (90)). In other words, there exist precisely $N$ elements $u$ of $P$ satisfying $u\lessdot v$. This completes our proof of the fact that, for every $v\in P$ satisfying $\deg v=p+1$, there exist precisely $N$ elements $u$ of $P$ satisfying $u\lessdot v$.; * • checking the case when $p\leqslant 2$ is no longer trivial, but needs a bit more work444444The case when $p=1$ is still obvious (since $\Delta$ and $\nabla$ are empty sets in this case). The case when $p=2$ can be handled by the same arguments that were used to deal with the case when $p>2$ (in particular, the same definition of the $\left(2p+1\right)$-tuple $\left(a_{0},a_{1},...,a_{2p}\right)$ applies), but the details are slightly different (instead of the seven cases, there are now only three cases: $\deg v=3$, $\deg v=2$ and $\deg v=1$).. ∎ ## 19 The quarter-triangles We have now studied the order of birational rowmotion on all four triangles (two of which are isomorphic as posets) which are obtained by cutting the rectangle $\operatorname*{Rect}\left(p,p\right)$ along one of its diagonals. But we can also cut $\operatorname*{Rect}\left(p,p\right)$ along both diagonals into four smaller triangles. These are isomorphic in pairs, and we will analyze them now. The following definition is an analogue of Definition 18.1 but using $\operatorname*{Tria}\left(p\right)$ instead of $\operatorname*{Rect}\left(p,p\right)$: ###### Definition 19.1. Let $p$ be a positive integer. Define three subsets $\operatorname*{NEtri}\left(p\right)$, $\operatorname*{Eqtri}\left(p\right)$ and $\operatorname*{SEtri}\left(p\right)$ of $\operatorname*{Tria}\left(p\right)$ by $\displaystyle\operatorname*{NEtri}\left(p\right)$ $\displaystyle=\left\\{\left(i,k\right)\in\operatorname*{Tria}\left(p\right)\ \mid\ i+k>p+1\right\\};$ $\displaystyle\operatorname*{Eqtri}\left(p\right)$ $\displaystyle=\left\\{\left(i,k\right)\in\operatorname*{Tria}\left(p\right)\ \mid\ i+k=p+1\right\\};$ $\displaystyle\operatorname*{SEtri}\left(p\right)$ $\displaystyle=\left\\{\left(i,k\right)\in\operatorname*{Tria}\left(p\right)\ \mid\ i+k<p+1\right\\}.$ These subsets $\operatorname*{NEtri}\left(p\right)$, $\operatorname*{Eqtri}\left(p\right)$ and $\operatorname*{SEtri}\left(p\right)$ inherit a poset structure from $\operatorname*{Tria}\left(p\right)$. In the following, we will consider $\operatorname*{NEtri}\left(p\right)$, $\operatorname*{Eqtri}\left(p\right)$ and $\operatorname*{SEtri}\left(p\right)$ as posets using this structure. Clearly, $\operatorname*{Eqtri}\left(p\right)$ is an antichain. The posets $\operatorname*{NEtri}\left(p\right)$ and $\operatorname*{SEtri}\left(p\right)$ are $\left(p-1\right)$-graded posets having the form of right-angled triangles. ###### Example 19.2. Here is the Hasse diagram of the poset $\operatorname*{Tria}\left(4\right)$, where the elements belonging to $\operatorname*{NEtri}\left(4\right)$ have been underlined and the elements belonging to $\operatorname*{Eqtri}\left(4\right)$ have been boxed: $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 3.0pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&&&&\\\&&&&&&\\\&&&&&&\\\&&&&&&\\\&&&&&&\\\&&&&&&\\\&&&&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 30.811pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\underline{\left(4,4\right)}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 63.9332pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 94.55539pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 125.17758pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-22.47769pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise-22.47769pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise-22.47769pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 33.311pt\raise-22.47769pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 61.4332pt\raise-22.47769pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\underline{\left(3,4\right)}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 94.55539pt\raise-22.47769pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 125.17758pt\raise-22.47769pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-44.95538pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise-44.95538pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise-44.95538pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 30.811pt\raise-44.95538pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\underline{\left(3,3\right)}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 63.9332pt\raise-44.95538pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 92.05539pt\raise-44.95538pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\underline{\left(2,4\right)}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 125.17758pt\raise-44.95538pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-69.5942pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise-69.5942pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise-69.5942pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 33.311pt\raise-69.5942pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 52.82208pt\raise-69.5942pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\framebox{$\left(2,3\right)$}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 94.55539pt\raise-69.5942pt\hbox{\hbox{\kern 0.0pt\raise 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0.0pt\hbox{$\textstyle{\left(2,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 63.9332pt\raise-96.39412pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 83.44427pt\raise-96.39412pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,3\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 125.17758pt\raise-96.39412pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 33.311pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 52.82208pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 94.55539pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 125.17758pt\raise-123.19405pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 22.19989pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,1\right)}$}}}}}}}{\hbox{\kern 63.9332pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 94.55539pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 125.17758pt\raise-149.99397pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ And here is the Hasse diagram of the poset $\operatorname*{NEtri}\left(4\right)$ itself: $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 3.0pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&&&&\\\&&&&&&\\\&&&&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 22.19989pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(4,4\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 63.9332pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 94.55539pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 114.06647pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 33.311pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 52.82208pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(3,4\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 94.55539pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 114.06647pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 22.19989pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(3,3\right)}$}}}}}}}{\hbox{\kern 63.9332pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 83.44427pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,4\right)}$}}}}}}}{\hbox{\kern 114.06647pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ Here, on the other hand, is the Hasse diagram of the poset $\operatorname*{SEtri}\left(4\right)$: $\lx@xy@svg{\hbox{\raise 0.0pt\hbox{\kern 3.0pt\hbox{\ignorespaces\ignorespaces\ignorespaces\hbox{\vtop{\kern 0.0pt\offinterlineskip\halign{\entry@#!@&&\entry@@#!@\cr&&&&&&\\\&&&&&&\\\&&&&&&\crcr}}}\ignorespaces{\hbox{\kern-3.0pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 22.19989pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(2,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 63.9332pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 83.44427pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,3\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 114.06647pt\raise 0.0pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 33.311pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 52.82208pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,2\right)\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$}}}}}}}\ignorespaces\ignorespaces\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{}\ignorespaces\ignorespaces{\hbox{\lx@xy@drawline@}}\ignorespaces{\hbox{\lx@xy@drawline@}}{\hbox{\kern 94.55539pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 114.06647pt\raise-26.79993pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern-3.0pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 5.39996pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 13.79993pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 22.19989pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{\left(1,1\right)}$}}}}}}}{\hbox{\kern 63.9332pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 94.55539pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}{\hbox{\kern 114.06647pt\raise-53.59985pt\hbox{\hbox{\kern 0.0pt\raise 0.0pt\hbox{\hbox{\kern 3.0pt\raise 0.0pt\hbox{$\textstyle{}$}}}}}}}\ignorespaces}}}}\ignorespaces.$ ###### Remark 19.3. Let $p$ be an even positive integer. The poset $\operatorname*{NEtri}\left(p\right)$ is isomorphic to the poset $\Phi^{+}\left(B_{p\diagup 2}\right)$ of [StWi11, §3.2]. (For odd $p$, the poset $\operatorname*{NEtri}\left(p\right)$ does not seem to appear in [StWi11, §3.2].) The following conjectures have been verified using Sage for small values of $p$: ###### Conjecture 19.4. Let $p$ be an integer $>1$. Then, $\operatorname*{ord}\left(R_{\operatorname*{SEtri}\left(p\right)}\right)=p$. ###### Conjecture 19.5. Let $p$ be an integer $>1$. Then, $\operatorname*{ord}\left(R_{\operatorname*{NEtri}\left(p\right)}\right)=p$. The approach used to prove Theorem 17.4 allows proving these two conjectures in the case of odd $p$, but in the even-$p$ case it fails (although the order of classical rowmotion is again known to be $p$ in the even-$p$ case – see [StWi11, Conjecture 3.6]). Here is how the proof proceeds in the case of odd $p$: ###### Proposition 19.6. Let $p$ be an odd integer $>1$. Let $\mathbb{K}$ be a field. Then, $\operatorname*{ord}\left(R_{\operatorname*{SEtri}\left(p\right)}\right)=p$. ###### Proposition 19.7. Let $p$ be an odd integer $>1$. Let $\mathbb{K}$ be a field. Then, $\operatorname*{ord}\left(R_{\operatorname*{NEtri}\left(p\right)}\right)=p$. Our proof of Proposition 19.7 rests upon the following fact: ###### Lemma 19.8. Let $\mathbb{K}$ be a field of characteristic $\neq 2$. Let $p$ be a positive integer. (a) Let $\operatorname*{vrefl}:\Delta\left(p\right)\rightarrow\Delta\left(p\right)$ be the map sending every $\left(i,k\right)\in\Delta\left(p\right)$ to $\left(k,i\right)$. This map $\operatorname*{vrefl}$ is an involutive poset automorphism of $\Delta\left(p\right)$. (In intuitive terms, $\operatorname*{vrefl}$ is simply reflection across the vertical axis.) We have $\operatorname*{vrefl}\left(v\right)\in\operatorname*{NEtri}\left(p\right)$ for every $v\in\Delta\left(p\right)\setminus\operatorname*{NEtri}\left(p\right)$. We extend $\operatorname*{vrefl}$ to an involutive poset automorphism of $\widehat{\Delta\left(p\right)}$ by setting $\operatorname*{vrefl}\left(0\right)=0$ and $\operatorname*{vrefl}\left(1\right)=1$. (b) Define a map $\operatorname*{dble}:\mathbb{K}^{\widehat{\operatorname*{NEtri}\left(p\right)}}\rightarrow\mathbb{K}^{\widehat{\Delta\left(p\right)}}$ by setting $\left(\operatorname*{dble}f\right)\left(v\right)=\left\\{\begin{array}[c]{l}\dfrac{1}{2}f\left(1\right),\ \ \ \ \ \ \ \ \ \ \text{if }v=1;\\\ f\left(0\right),\ \ \ \ \ \ \ \ \ \ \text{if }v=0;\\\ f\left(v\right),\ \ \ \ \ \ \ \ \ \ \text{if }v\in\operatorname*{NEtri}\left(p\right);\\\ f\left(\operatorname*{vrefl}\left(v\right)\right),\ \ \ \ \ \ \ \ \ \ \text{otherwise}\end{array}\right.$ for all $v\in\widehat{\Delta\left(p\right)}$ for all $f\in\mathbb{K}^{\widehat{\operatorname*{NEtri}\left(p\right)}}$. This is well-defined. We have $\left(\operatorname*{dble}f\right)\left(v\right)=f\left(v\right)\ \ \ \ \ \ \ \ \ \ \text{for every }v\in\operatorname*{NEtri}\left(p\right).$ (91) Also, $\left(\operatorname*{dble}f\right)\left(\operatorname*{vrefl}\left(v\right)\right)=f\left(v\right)\ \ \ \ \ \ \ \ \ \ \text{for every }v\in\operatorname*{NEtri}\left(p\right).$ (92) (c) Assume that $p$ is odd. Then, $R_{\Delta\left(p\right)}\circ\operatorname*{dble}=\operatorname*{dble}\circ R_{\operatorname*{NEtri}\left(p\right)}.$ ###### . We omit the proofs of Lemma 19.8, Proposition 19.7 and Proposition 19.6 since neither of them involves any new ideas. The first is analogous to that of Lemma 17.5 (with $\Delta\left(p\right)$ and $\operatorname*{NEtri}\left(p\right)$ taking the roles of $\operatorname*{Rect}\left(p,p\right)$ and $\operatorname*{Tria}\left(p\right)$, respectively)454545The only non- straightforward change that must be made to the proof is the following: In Case 2 of the proof of Lemma 17.5, we used the (obvious) observation that $\left(i-1,i\right)$ and $\left(i,i-1\right)$ are elements of $\operatorname*{Rect}\left(p,p\right)$ for every $\left(i,i\right)\in\operatorname*{Rect}\left(p,p\right)$ satisfying $i\neq 1$. The analogous observation that we need for proving Lemma 19.8 is still true in the case of odd $p$, but a bit less obvious. In fact, it is the observation that $\left(i-1,i\right)$ and $\left(i,i-1\right)$ are elements of $\Delta\left(p\right)$ for every $\left(i,i\right)\in\Delta\left(p\right)$. This uses the oddness of $p$.. The proof of Proposition 19.7 combines Lemma 19.8 with Theorem 18.7. Proposition 19.6 is derived from Proposition 19.7 using Proposition 8.4. ∎ Nathan Williams suggested that the following generalization of Conjecture 19.5 might hold: ###### Conjecture 19.9. Let $p$ be an integer $>1$. Let $s\in\mathbb{N}$. Let $\operatorname*{NEtri}\nolimits^{\prime}\left(p\right)$ be the subposet $\left\\{\left(i,k\right)\in\operatorname*{NEtri}\left(p\right)\ \mid\ k\geqslant s\right\\}$ of $\operatorname*{NEtri}\left(p\right)$. Then, $\operatorname*{ord}\left(R_{\operatorname*{NEtri}\nolimits^{\prime}\left(p\right)}\right)\mid p$. This conjecture has been verified using Sage for all $p\leqslant 7$. Williams (based on a philosophy from his thesis [Will13]) suspects there could be a birational map between $\mathbb{K}^{\widehat{\operatorname*{NEtri}\nolimits^{\prime}\left(p\right)}}$ and $\mathbb{K}^{\widehat{\operatorname*{Rect}\left(s-1,p-s+1\right)}}$ which commutes with the respective birational rowmotion operators for all $s>\dfrac{p}{2}$; this, if shown, would obviously yield a proof of Conjecture 19.9. This already is an interesting question for classical rowmotion; a bijection between the antichains (and thus between the order ideals) of $\operatorname*{NEtri}\nolimits^{\prime}\left(p\right)$ and those of $\operatorname*{Rect}\left(s-1,p-s+1\right)$ was found by Stembridge [Stem86, Theorem 5.4], but does not commute with classical rowmotion. ## 20 Negative results Generally, it is not true that if $P$ is an $n$-graded poset, then $\operatorname*{ord}\left(R_{P}\right)$ is necessarily finite. When $\operatorname*{char}\mathbb{K}=0$, the authors have proven the following464646See the ancillary files of the present arXiv preprint (arXiv:1402.6178) for an outline of the (rather technical) proofs.: * • If $P$ is the poset $\left\\{x_{1},x_{2},x_{3},x_{4},x_{5}\right\\}$ with relations $x_{1}<x_{3}$, $x_{1}<x_{4}$, $x_{1}<x_{5}$, $x_{2}<x_{4}$ and $x_{2}<x_{5}$ (this is a $5$-element $2$-graded poset), then $\operatorname*{ord}\left(R_{P}\right)=\infty$. * • If $P$ is the “chain-link fence” poset $/\backslash/\backslash/\backslash$ (that is, the subposet $\left\\{\left(i,k\right)\in\operatorname*{Rect}\left(4,4\right)\ \mid\ 5\leqslant i+k\leqslant 6\right\\}$ of $\operatorname*{Rect}\left(4,4\right)$), then $\operatorname*{ord}\left(R_{P}\right)=\infty$. * • If $P$ is the Boolean lattice $\left[2\right]\times\left[2\right]\times\left[2\right]$, then $\operatorname*{ord}\left(R_{P}\right)=\infty$. The situation seems even more hopeless for non-graded posets. ## 21 The root system connection A question naturally suggesting itself is: What is it that makes certain posets $P$ have finite $\operatorname*{ord}\left(R_{P}\right)$, while others have not? Can we characterize the former posets? It might be too optimistic to expect a full classification, given that our examples are already rather diverse (skeletal posets, rectangles, triangles, posets like that in Remark 11.8). As a first step (and inspired by the general forms of the Zamolodchikov conjecture), we were tempted to study posets arising from Dynkin diagrams. It appears that, unlike in the Zamolodchikov conjecture, the interesting cases are not those having $P$ be a product of Dynkin diagrams, but those having $P$ be a positive root poset of a root system, or a parabolic quotient thereof. The idea is not new, as it was already conjectured by Panyushev [Pan08, Conjecture 2.1] and proven by Armstrong, Stump and Thomas [AST11, Theorem 1.2] that if $W$ is a finite Weyl group with Coxeter number $h$, then classical rowmotion on the set $J\left(\Phi^{+}\left(W\right)\right)$ (where $\Phi^{+}\left(W\right)$ is the poset of positive roots of $W$) has order $h$ or $2h$ (along with a few more properties, akin to our “reciprocity” statements)474747Neither [Pan08] nor [AST11] work directly with order ideals and rowmotion, but instead they study antichains of the poset $\Phi^{+}\left(W\right)$ (which are called “nonnesting partitions” in [AST11]) and an operation on these antichains called Panyushev complementation. There is, however, a simple bijection between the set of antichains of a poset $P$ and the set $J\left(P\right)$, and the conjugate of Panyushev complementation with respect to this bijection is precisely classical rowmotion.. In the case of birational rowmotion, the situation is less simple. Specifically, the following can be said about positive root posets of crystallographic root systems (as considered in [StWi11, §3.2])484848We refer to [StWi11, Definition 3.4] for notations.: * • If $P=\Phi^{+}\left(A_{n}\right)$ for $n\geqslant 2$, then $\operatorname*{ord}\left(R_{P}\right)=2\left(n+1\right)$. This is just the assertion of Corollary 18.9. Note that for $n=1$, the order $\operatorname*{ord}\left(R_{P}\right)$ is $2$ instead of $2\left(1+1\right)=4$. * • If $P=\Phi^{+}\left(B_{n}\right)$ for $n\geqslant 1$, then Conjecture 19.4 claims that $\operatorname*{ord}\left(R_{P}\right)=2n$. Note that $\Phi^{+}\left(B_{n}\right)\cong\Phi^{+}\left(C_{n}\right)$. * • We have $\operatorname*{ord}\left(R_{P}\right)=2$ for $P=\Phi^{+}\left(D_{2}\right)$, and we have $\operatorname*{ord}\left(R_{P}\right)=8$ for $P=\Phi^{+}\left(D_{3}\right)$. However, $\operatorname*{ord}\left(R_{P}\right)=\infty$ in the case when $P=\Phi^{+}\left(D_{4}\right)$. This should not come as a surprise, since $\Phi^{+}\left(D_{4}\right)$ has a property that none of the $\Phi^{+}\left(A_{n}\right)$ or $\Phi^{+}\left(B_{n}\right)\cong\Phi^{+}\left(C_{n}\right)$ have, namely an element covered by three other elements. On the other hand, the finite orders in the $\Phi^{+}\left(D_{2}\right)$ and $\Phi^{+}\left(D_{3}\right)$ cases can be explained by $\Phi^{+}\left(D_{2}\right)\cong\Phi^{+}\left(A_{1}\times A_{1}\right)\cong\left(\text{two-element antichain}\right)$ and $\Phi^{+}\left(D_{3}\right)\cong\Phi^{+}\left(A_{3}\right)$. Nathan Williams has suggested that the behavior of $\Phi^{+}\left(A_{n}\right)$ and $\Phi^{+}\left(B_{n}\right)\cong\Phi^{+}\left(C_{n}\right)$ to have finite orders of $R_{P}$ could generalize to the “positive root posets” of the other “coincidental types” $H_{3}$ and $I_{2}\left(m\right)$ (see, for example, Table 2.2 in [Will13]). And indeed, computations in Sage have established that $\operatorname*{ord}\left(R_{P}\right)=10$ for $P=\Phi^{+}\left(H_{3}\right)$, and we also have $\operatorname*{ord}\left(R_{P}\right)=\operatorname{lcm}\left(2,m\right)$ for $P=\Phi^{+}\left(I_{2}\left(m\right)\right)$ (this is a very easy consequence of Proposition 7.3). It seems that minuscule heaps, as considered e.g. in [RuSh12, §6], also lead to small $\operatorname*{ord}\left(R_{P}\right)$ values. Namely: * • The heap $P_{w_{0}^{J}}$ in [RuSh12, Figure 8 (b)] satisfies $\operatorname*{ord}\left(R_{P}\right)=12$. * • The heap $P_{w_{0}^{J}}$ in [RuSh12, Figure 9 (b)] seems to satisfy $\operatorname*{ord}\left(R_{P}\right)=18$ (this was verified on numerical examples, as the poset is too large for efficient general computations). (These two posets also appear as posets corresponding to the “Cayley plane” and the “Freudenthal variety” in [ThoYo07, p. 2].) Various other families of posets related to root systems (minuscule posets, d-complete posets, rc-posets, alternating sign matrix posets) remain to be studied. ## References * [AKSch12] Arvind Ayyer, Steven Klee, Anne Schilling, Combinatorial Markov chains on linear extensions, Journal of Algebraic Combinatorics, September 2013, DOI 10.1007/s10801-013-0470-9. 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arxiv-papers
2014-02-25T14:25:42
2024-09-04T02:49:58.800043
{ "license": "Creative Commons Zero - Public Domain - https://creativecommons.org/publicdomain/zero/1.0/", "authors": "Darij Grinberg, Tom Roby", "submitter": "Darij Grinberg", "url": "https://arxiv.org/abs/1402.6178" }
1402.6242
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2014-027 LHCb-PAPER-2014-003 Precision measurement of the ratio of the $\mathchar 28931\relax^{0}_{b}$ to $\kern 3.73305pt\overline{\kern-3.73305ptB}{}^{0}$ lifetimes The LHCb collaboration111Authors are listed on the following pages. The LHCb measurement of the lifetime ratio of the $\mathchar 28931\relax^{0}_{b}$ baryon to the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ meson is updated using data corresponding to an integrated luminosity of 3.0 fb-1 collected using 7 and 8 TeV centre-of-mass energy $pp$ collisions at the LHC. The decay modes used are $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}K^{-}$, where the $\pi^{+}K^{-}$ mass is consistent with that of the $\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}(892)$ meson. The lifetime ratio is determined with unprecedented precision to be $0.974\pm 0.006\pm 0.004$, where the first uncertainty is statistical and the second systematic. This result is in agreement with original theoretical predictions based on the heavy quark expansion. Using the current world average of the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ lifetime, the $\mathchar 28931\relax^{0}_{b}$ lifetime is found to be $1.479\pm 0.009\pm 0.010$ ps. Submitted to Physics Letters B © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij41, B. Adeva37, M. Adinolfi46, A. Affolder52, Z. Ajaltouni5, J. Albrecht9, F. Alessio38, M. Alexander51, S. Ali41, G. Alkhazov30, P. Alvarez Cartelle37, A.A. Alves Jr25, S. Amato2, S. Amerio22, Y. Amhis7, L. Anderlini17,g, J. Anderson40, R. Andreassen57, M. Andreotti16,f, J.E. Andrews58, R.B. Appleby54, O. Aquines Gutierrez10, F. Archilli38, A. Artamonov35, M. Artuso59, E. Aslanides6, G. Auriemma25,m, M. Baalouch5, S. Bachmann11, J.J. Back48, A. Badalov36, V. Balagura31, W. Baldini16, R.J. Barlow54, C. Barschel39, S. Barsuk7, W. Barter47, V. Batozskaya28, Th. Bauer41, A. Bay39, J. Beddow51, F. Bedeschi23, I. Bediaga1, S. Belogurov31, K. Belous35, I. Belyaev31, E. Ben-Haim8, G. Bencivenni18, S. Benson50, J. Benton46, A. Berezhnoy32, R. Bernet40, M.-O. Bettler47, M. van Beuzekom41, A. Bien11, S. Bifani45, T. Bird54, A. Bizzeti17,i, P.M. Bjørnstad54, T. Blake48, F. Blanc39, J. Blouw10, S. Blusk59, V. Bocci25, A. Bondar34, N. Bondar30, W. Bonivento15,38, S. Borghi54, A. Borgia59, M. Borsato7, T.J.V. Bowcock52, E. Bowen40, C. Bozzi16, T. Brambach9, J. van den Brand42, J. Bressieux39, D. Brett54, M. Britsch10, T. Britton59, N.H. Brook46, H. Brown52, A. Bursche40, G. Busetto22,q, J. Buytaert38, S. Cadeddu15, R. Calabrese16,f, O. Callot7, M. Calvi20,k, M. Calvo Gomez36,o, A. Camboni36, P. Campana18,38, D. Campora Perez38, F. Caponio21, A. Carbone14,d, G. Carboni24,l, R. Cardinale19,j, A. Cardini15, H. Carranza-Mejia50, L. Carson50, K. Carvalho Akiba2, G. Casse52, L. Cassina20, L. Castillo Garcia38, M. Cattaneo38, Ch. Cauet9, R. Cenci58, M. Charles8, Ph. Charpentier38, S.-F. Cheung55, N. Chiapolini40, M. Chrzaszcz40,26, K. Ciba38, X. Cid Vidal38, G. Ciezarek53, P.E.L. Clarke50, M. Clemencic38, H.V. Cliff47, J. Closier38, C. Coca29, V. Coco38, J. Cogan6, E. Cogneras5, P. Collins38, A. Comerma-Montells36, A. Contu15,38, A. Cook46, M. Coombes46, S. Coquereau8, G. Corti38, I. Counts56, B. Couturier38, G.A. Cowan50, D.C. Craik48, M. Cruz Torres60, S. Cunliffe53, R. Currie50, C. D’Ambrosio38, J. Dalseno46, P. David8, P.N.Y. David41, A. Davis57, I. De Bonis4, K. De Bruyn41, S. De Capua54, M. De Cian11, J.M. De Miranda1, L. De Paula2, W. De Silva57, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, N. Déléage4, D. Derkach55, O. Deschamps5, F. Dettori42, A. Di Canto11, H. Dijkstra38, S. Donleavy52, F. Dordei11, M. Dorigo39, P. Dorosz26,n, A. Dosil Suárez37, D. Dossett48, A. 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Koopman42, P. Koppenburg41, M. Korolev32, A. Kozlinskiy41, L. Kravchuk33, K. Kreplin11, M. Kreps48, G. Krocker11, P. Krokovny34, F. Kruse9, M. Kucharczyk20,26,38,k, V. Kudryavtsev34, K. Kurek28, T. Kvaratskheliya31,38, V.N. La Thi39, D. Lacarrere38, G. Lafferty54, A. Lai15, D. Lambert50, R.W. Lambert42, E. Lanciotti38, G. Lanfranchi18, C. Langenbruch38, B. Langhans38, T. Latham48, C. Lazzeroni45, R. Le Gac6, J. van Leerdam41, J.-P. Lees4, R. Lefèvre5, A. Leflat32, J. Lefrançois7, S. Leo23, O. Leroy6, T. Lesiak26, B. Leverington11, Y. Li3, M. Liles52, R. Lindner38, C. Linn38, F. Lionetto40, B. Liu15, G. Liu38, S. Lohn38, I. Longstaff51, J.H. Lopes2, N. Lopez-March39, P. Lowdon40, H. Lu3, D. Lucchesi22,q, H. Luo50, E. Luppi16,f, O. Lupton55, F. Machefert7, I.V. Machikhiliyan31, F. Maciuc29, O. Maev30,38, S. Malde55, G. Manca15,e, G. Mancinelli6, M. Manzali16,f, J. Maratas5, U. Marconi14, C. Marin Benito36, P. Marino23,s, R. Märki39, J. Marks11, G. Martellotti25, A. Martens8, A. 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Panman38, A. Papanestis49,38, M. Pappagallo51, L. Pappalardo16, C. Parkes54, C.J. Parkinson9, G. Passaleva17, G.D. Patel52, M. Patel53, C. Patrignani19,j, C. Pavel-Nicorescu29, A. Pazos Alvarez37, A. Pearce54, A. Pellegrino41, M. Pepe Altarelli38, S. Perazzini14,d, E. Perez Trigo37, P. Perret5, M. Perrin-Terrin6, L. Pescatore45, E. Pesen65, G. Pessina20, K. Petridis53, A. Petrolini19,j, E. Picatoste Olloqui36, B. Pietrzyk4, T. Pilař48, D. Pinci25, A. Pistone19, S. Playfer50, M. Plo Casasus37, F. Polci8, A. Poluektov48,34, E. Polycarpo2, A. Popov35, D. Popov10, B. Popovici29, C. Potterat36, A. Powell55, J. Prisciandaro39, A. Pritchard52, C. Prouve46, V. Pugatch44, A. Puig Navarro39, G. Punzi23,r, W. Qian4, B. Rachwal26, J.H. Rademacker46, B. Rakotomiaramanana39, M. Rama18, M.S. Rangel2, I. Raniuk43, N. Rauschmayr38, G. Raven42, S. Reichert54, M.M. Reid48, A.C. dos Reis1, S. Ricciardi49, A. Richards53, K. Rinnert52, V. Rives Molina36, D.A. Roa Romero5, P. Robbe7, D.A. Roberts58, A.B. Rodrigues1, E. Rodrigues54, P. Rodriguez Perez37, S. Roiser38, V. Romanovsky35, A. Romero Vidal37, M. Rotondo22, J. Rouvinet39, T. Ruf38, F. Ruffini23, H. Ruiz36, P. Ruiz Valls36, G. Sabatino25,l, J.J. Saborido Silva37, N. Sagidova30, P. Sail51, B. Saitta15,e, V. Salustino Guimaraes2, B. Sanmartin Sedes37, R. Santacesaria25, C. Santamarina Rios37, E. Santovetti24,l, M. Sapunov6, A. Sarti18, C. Satriano25,m, A. Satta24, M. Savrie16,f, D. Savrina31,32, M. Schiller42, H. Schindler38, M. Schlupp9, M. Schmelling10, B. Schmidt38, O. Schneider39, A. Schopper38, M.-H. Schune7, R. Schwemmer38, B. Sciascia18, A. Sciubba25, M. Seco37, A. Semennikov31, K. Senderowska27, I. Sepp53, N. Serra40, J. Serrano6, P. Seyfert11, M. Shapkin35, I. Shapoval16,43,f, Y. Shcheglov30, T. Shears52, L. Shekhtman34, O. Shevchenko43, V. Shevchenko62, A. Shires9, R. Silva Coutinho48, G. Simi22, M. Sirendi47, N. Skidmore46, T. Skwarnicki59, N.A. Smith52, E. Smith55,49, E. Smith53, J. Smith47, M. Smith54, H. Snoek41, M.D. Sokoloff57, F.J.P. Soler51, F. Soomro39, D. Souza46, B. Souza De Paula2, B. Spaan9, A. Sparkes50, F. Spinella23, P. Spradlin51, F. Stagni38, S. Stahl11, O. Steinkamp40, S. Stevenson55, S. Stoica29, S. Stone59, B. Storaci40, S. Stracka23,38, M. Straticiuc29, U. Straumann40, R. Stroili22, V.K. Subbiah38, L. Sun57, W. Sutcliffe53, S. Swientek9, V. Syropoulos42, M. Szczekowski28, P. Szczypka39,38, D. Szilard2, T. Szumlak27, S. T’Jampens4, M. Teklishyn7, G. Tellarini16,f, E. Teodorescu29, F. Teubert38, C. Thomas55, E. Thomas38, J. van Tilburg11, V. Tisserand4, M. Tobin39, S. Tolk42, L. Tomassetti16,f, D. Tonelli38, S. Topp-Joergensen55, N. Torr55, E. Tournefier4,53, S. Tourneur39, M.T. Tran39, M. Tresch40, A. Tsaregorodtsev6, P. Tsopelas41, N. Tuning41, M. Ubeda Garcia38, A. Ukleja28, A. Ustyuzhanin62, U. Uwer11, V. Vagnoni14, G. Valenti14, A. Vallier7, R. Vazquez Gomez18, P. Vazquez Regueiro37, C. Vázquez Sierra37, S. Vecchi16, J.J. Velthuis46, M. Veltri17,h, G. 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Zvyagin38. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Milano, Milano, Italy 22Sezione INFN di Padova, Padova, Italy 23Sezione INFN di Pisa, Pisa, Italy 24Sezione INFN di Roma Tor Vergata, Roma, Italy 25Sezione INFN di Roma La Sapienza, Roma, Italy 26Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 27AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 28National Center for Nuclear Research (NCBJ), Warsaw, Poland 29Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 30Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 31Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 32Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 33Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 34Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 35Institute for High Energy Physics (IHEP), Protvino, Russia 36Universitat de Barcelona, Barcelona, Spain 37Universidad de Santiago de Compostela, Santiago de Compostela, Spain 38European Organization for Nuclear Research (CERN), Geneva, Switzerland 39Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 40Physik-Institut, Universität Zürich, Zürich, Switzerland 41Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 42Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 43NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 44Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 45University of Birmingham, Birmingham, United Kingdom 46H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 47Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 48Department of Physics, University of Warwick, Coventry, United Kingdom 49STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 50School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 51School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 52Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 53Imperial College London, London, United Kingdom 54School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 55Department of Physics, University of Oxford, Oxford, United Kingdom 56Massachusetts Institute of Technology, Cambridge, MA, United States 57University of Cincinnati, Cincinnati, OH, United States 58University of Maryland, College Park, MD, United States 59Syracuse University, Syracuse, NY, United States 60Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 61Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 62National Research Centre Kurchatov Institute, Moscow, Russia, associated to 31 63Instituto de Fisica Corpuscular (IFIC), Universitat de Valencia-CSIC, Valencia, Spain, associated to 36 64KVI - University of Groningen, Groningen, The Netherlands, associated to 41 65Celal Bayar University, Manisa, Turkey, associated to 38 aUniversidade Federal do Triângulo Mineiro (UFTM), Uberaba-MG, Brazil bP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia cUniversità di Bari, Bari, Italy dUniversità di Bologna, Bologna, Italy eUniversità di Cagliari, Cagliari, Italy fUniversità di Ferrara, Ferrara, Italy gUniversità di Firenze, Firenze, Italy hUniversità di Urbino, Urbino, Italy iUniversità di Modena e Reggio Emilia, Modena, Italy jUniversità di Genova, Genova, Italy kUniversità di Milano Bicocca, Milano, Italy lUniversità di Roma Tor Vergata, Roma, Italy mUniversità della Basilicata, Potenza, Italy nAGH - University of Science and Technology, Faculty of Computer Science, Electronics and Telecommunications, Kraków, Poland oLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain pHanoi University of Science, Hanoi, Viet Nam qUniversità di Padova, Padova, Italy rUniversità di Pisa, Pisa, Italy sScuola Normale Superiore, Pisa, Italy tUniversità degli Studi di Milano, Milano, Italy ## 1 Introduction The heavy quark expansion (HQE) is a powerful theoretical technique in the description of decays of hadrons containing heavy quarks. This model describes inclusive decays and has been used extensively in the analysis of beauty and charm hadron decays, for example in the extraction of Cabibbo-Kobayashi- Maskawa matrix elements, such as $|V_{cb}|$ and $|V_{ub}|$ [1]. The basics of the theory were derived in the late 1980’s [2, *Shifman:1984wx, *Shifman:1986sm, *Guberina:1986gd]. For $b$-flavoured hadrons, the expansion of the total decay width in terms of powers of $1/m_{b}$, where $m_{b}$ is the $b$ quark mass, was derived a few years later [6, *Blok:1992he, *Bigi:1991ir, *Bigi:1992su]. These developments are summarized in Ref. [10]. It was found that there were no terms of $\mathcal{O}(1/m_{b})$, that the $\mathcal{O}(1/m_{b}^{2})$ terms were tiny, and initial estimates of ${\cal{O}}(1/m^{3}_{b})$ [11, 12, *DiPierro:1999tb] effects were small. Thus differences of only a few percent were expected between the $\mathchar 28931\relax^{0}_{b}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ total decay widths, and hence their lifetimes [11, 14, 15]. In the early part of the past decade, measurements of the ratio of $\mathchar 28931\relax^{0}_{b}$ to $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ lifetimes, $\tau_{\mathchar 28931\relax^{0}_{b}}/\tau_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}$, gave results considerably smaller than this expectation. In 2003 one experimental average gave $0.798\pm 0.052$ [16], while another was $0.786\pm 0.034$ [17, *Franco:2002fc]. Some authors sought to explain the small value of the ratio by including additional operators or other modifications [19, *Gabbiani:2003pq, *Gabbiani:2004tp, *Altarelli:1996gt], while others thought that the HQE could be pushed to provide a ratio of about 0.9 [23], but not so low as the measured value. Recent measurements have obtained higher values [24, *Chatrchyan:2013sxa, *Aaltonen:2010pj]. In fact, the most precise previous measurement from LHCb, $0.976\pm 0.012\pm 0.006$ [27], based on 1.0 $\mbox{\,fb}^{-1}$ of data, agreed with the early HQE expectations. In this paper we present an updated result for $\tau_{\mathchar 28931\relax^{0}_{b}}/\tau_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}$ using data from 3.0 $\mbox{\,fb}^{-1}$ of integrated luminosity collected with the LHCb detector from $pp$ collisions at the LHC. Here we add the 2.0 $\mbox{\,fb}^{-1}$ data sample from the 8 TeV data to our previous 1.0 $\mbox{\,fb}^{-1}$ 7 TeV sample [27]. The data are combined and analyzed together. Larger simulation samples are used than in our previous publication, and uncertainties are significantly reduced. The $\mathchar 28931\relax^{0}_{b}$ baryon is detected in the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ decay mode, discovered by LHCb [27], while the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ meson is reconstructed in ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}(892)$ decays, with $\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}(892)\rightarrow\pi^{+}K^{-}$.222Charge- conjugate modes are implicitly included throughout this Letter. These modes have the same topology into four charged tracks, thus facilitating cancellation of systematic uncertainties in the lifetime ratio. The LHCb detector [28] is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. The detector includes a high-precision tracking system consisting of a silicon-strip vertex detector surrounding the $pp$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes [29] placed downstream. The combined tracking system provides a momentum measurement with relative uncertainty that varies from 0.4% at 5$\mathrm{\,Ge\kern-1.00006ptV}$ to 0.6% at 100$\mathrm{\,Ge\kern-1.00006ptV}$, and impact parameter resolution of 20${\,\upmu\rm m}$ for tracks with large transverse momentum, $p_{\rm T}$.333We use natural units with $\hbar=c=1$. Different types of charged hadrons are distinguished using information from two ring-imaging Cherenkov (RICH) detectors [30]. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and preshower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers [31]. The trigger [32] consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage, which applies a full event reconstruction. ## 2 Event selection and $b$ hadron reconstruction Events selected for this analysis are triggered by a ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\rightarrow\mu^{+}\mu^{-}$ decay, where the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ is required at the software level to be consistent with coming from the decay of a $b$ hadron by use of either impact parameter (IP) requirements or detachment of the reconstructed ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ decay position from the associated primary vertex. Events are required to pass a cut-based preselection and then are further filtered using a multivariate discriminator based on the boosted decision tree (BDT) technique [33, *AdaBoost]. To satisfy the preselection requirements the muon candidates must have $p_{\rm T}$ larger than 550 MeV, while the hadron candidates are required to have $p_{\rm T}$ larger than 250 MeV. Each muon is required to have $\chi^{2}_{\rm IP}>4$, where $\chi^{2}_{\rm IP}$ is defined as the difference in $\chi^{2}$ of the primary vertex reconstructed with and without the considered track. Events must have a $\mu^{+}\mu^{-}$ pair that forms a common vertex with $\chi^{2}<16$ and that has an invariant mass between $-48$ and +43 MeV of the known ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mass [1]. Candidate $\mu^{+}\mu^{-}$ pairs are then constrained to the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mass to improve the determination of the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ momentum. The two charged final state hadrons must have a vector summed $p_{\rm T}$ of more than 1 GeV, and form a vertex with $\chi^{2}/{\rm ndf}<10$, where ndf is the number of degrees of freedom, and a common vertex with the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ candidate with $\chi^{2}/{\rm ndf}<16$. Particle identification requirements are different for the two modes. Using information from the RICH detectors, a likelihood is formed for each hadron hypothesis. The difference in the logarithms of the likelihoods, DLL$(h_{1}-h_{2})$, is used to distinguish between the two hypotheses, $h_{1}$ and $h_{2}$ [30]. In the $\mathchar 28931\relax^{0}_{b}$ decay the kaon candidate must have DLL$(K-\pi)>4$ and DLL$(K-p)>-3$, while the proton candidate must have DLL$(p-\pi)>10$ and DLL$(p-K)>-3$. For the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decay, the requirements on the pion candidate are DLL$(\pi-\mu)>-10$ and DLL$(\pi-K)>-10$, while DLL$(K-\pi)>0$ is required for the kaon. The BDT selection uses the smaller value of the DLL($\mu-\pi$) of the $\mu^{+}$ and $\mu^{-}$ candidates, the $p_{\rm T}$ of each of the two charged hadrons, and their sum, the $\mathchar 28931\relax^{0}_{b}$ $p_{\rm T}$, the $\mathchar 28931\relax^{0}_{b}$ vertex $\chi^{2}$, and the $\chi^{2}_{\rm IP}$ of the $\mathchar 28931\relax^{0}_{b}$ candidate with respect to the primary vertex. The choice of these variables is motivated by minimizing the dependence of the selection efficiency on decay time; for example, we do not use the $\chi^{2}_{\rm IP}$ of the proton, the kaon, the flight distance, or the pointing angle of $\mathchar 28931\relax^{0}_{b}$ to the primary vertex. To train and test the BDT we use a simulated sample of $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$events for signal and a background data sample from the mass sidebands in the region $100-200$ MeV below the $\mathchar 28931\relax^{0}_{b}$ signal peak. Half of these events are used for training, while the other half are used for testing. The BDT selection is chosen to maximize $S^{2}/(S+B)$, where $S$ and $B$ are the signal and background yields, respectively. This optimization includes the requirement that the $\mathchar 28931\relax^{0}_{b}$ candidate decay time be greater than 0.4 ps. The same BDT selection is used for $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{-}K^{+}$ decays. The distributions of the BDT classifier output for signal and background are shown in Fig. 1. The final selection requires that the BDT output variable be greater than 0.04. Figure 1: BDT classifier output for the signal and background. Both training and test samples are shown; their definitions are given in the text. The resulting $\mathchar 28931\relax^{0}_{b}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ candidate invariant mass distributions are shown in Fig. 2. For $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ candidates we also require that the invariant $\pi^{+}K^{-}$ mass be within $\pm 100$ MeV of the $\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}(892)$ mass. Figure 2: Fits to the invariant mass spectrum of (a) ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ and (b) ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}K^{-}$ combinations. The $\mathchar 28931\relax^{0}_{b}$ and $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}$ signals are shown by the (magenta) solid curves. The (black) dotted lines are the combinatorial backgrounds, and the (blue) solid curves show the totals. In (a) the $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ and $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}K^{-}$ reflections, caused by particle misidentification, are shown with the (brown) dot-dot-dashed and (red) dot-dashed shapes, respectively, and the (green) dashed shape represents the doubly misidentified ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}\overline{p}$ final state, where the kaon and proton masses are swapped. In (b) the $B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}K^{-}$ mode is shown by the (red) dashed curve and the (green) dot-dashed shape represents the $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ reflection. In order to measure the number of signal events we need to ascertain the backgrounds. The background is dominated by random track combinations at masses around the signal peaks, and their shape is assumed to be exponential in invariant mass. Specific backgrounds arising from incorrect particle identification, called “reflections,” are also considered. In the case of the $\mathchar 28931\relax^{0}_{b}$ decay, these are $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ decays where a kaon is misidentified as a proton and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}(892)$ decays with $\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}(892)\rightarrow\pi^{+}K^{-}$ where the pion is misidentified as a proton. There is also a double misidentification background caused by swapping the kaon and proton identifications. To study these backgrounds, we examine the mass combinations in the sideband regions from $60-200$ MeV on either side of the $\mathchar 28931\relax^{0}_{b}$ mass peak. Specifically for each candidate in the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ sideband regions we reassign to the proton track the kaon or pion mass hypothesis respectively, and plot them separately. The resulting distributions are shown in Fig. 3. Figure 3: Invariant mass distributions of ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ data candidates in the sideband regions $60-200$ MeV on either side of the $\mathchar 28931\relax^{0}_{b}$ mass peak, reinterpreted as misidentified (a) $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ and (b) $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}K^{-}$ combinations through appropriate mass reassignments. The (red) dashed curves show the $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}$ contributions and the (green) dot- dashed curves show $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}_{s}$ contributions. The (black) dotted curves represent the polynomial background and the (blue) solid curves the total. The $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-})$ invariant mass distribution shows a large peak at the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mass. There is also a small contribution from the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ final state where the $\pi^{+}$ is misidentified as a $p$. The $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}K^{-})$ distribution, on the other hand, shows a peak at the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ mass with a large contribution from $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ decays where the $K^{+}$ is misidentified as a $p$. For both distributions the shapes of the different contributions are determined using simulation. Fitting both distributions we find 19 327$\pm$309 $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$, and 5613$\pm$285 $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ events in the $\mathchar 28931\relax^{0}_{b}$ sideband. Samples of simulated $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{-}\pi^{+}$ events are used to find the shapes of these reflected backgrounds in the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ mass spectrum. Using the event yields found in data and the simulation shapes, we estimate $5603\pm 90$ $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ and $1150\pm 59$ $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}K^{-}$ reflection candidates within $\pm 20$ MeV of the $\mathchar 28931\relax^{0}_{b}$ peak. These numbers are used as Gaussian constraints in the mass fit described below with the central values as the Gaussian means and the uncertainties as the widths. Following a similar procedure we find $1138\pm 48$ doubly-misidentified $\mathchar 28931\relax^{0}_{b}$ decays under the $\mathchar 28931\relax^{0}_{b}$ peak. This number is also used as a Gaussian constraint in the mass fit. To determine the number of $\mathchar 28931\relax^{0}_{b}$ signal candidates we perform an unbinned maximum likelihood fit to the candidate ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ invariant mass spectrum shown in Fig. 2(a). The fit function is the sum of the $\mathchar 28931\relax^{0}_{b}$ signal component, combinatorial background, the contributions from the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}K^{-}$ reflections and the doubly-misidentified $\overline{\mathchar 28931\relax^{0}_{b}}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}\overline{p}$ decays. The signal is modeled by a triple-Gaussian function with common means. The fraction and the width ratio for the second and third Gaussians are fixed to the values obtained in the fit to $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}(892)$ decays, shown in Fig. 2(b). The effective r.m.s. width is 4.7 MeV. The combinatorial background is described by an exponential function. The shapes of reflections and doubly- misidentified contributions are described by histograms imported from the simulations. The mass fit gives $50\,233\pm 331$ signal and $15\,842\pm 104$ combinatorial background candidates, $5642\pm 88$ $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ and $1167\pm 58$ $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}K^{-}$ reflection candidates, and $1140\pm 48$ doubly- misidentified $\mathchar 28931\relax^{0}_{b}$ candidates within $\pm 20$ MeV of the $\mathchar 28931\relax^{0}_{b}$ mass peak. The $pK^{-}$ mass spectrum is consistent with that found previously [27], with a distinct peak near 1520 MeV, together with the other broad resonant and non-resonant structures that cover the entire kinematic region. The $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ candidate mass distribution can be polluted by the reflection from $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ decays. Following a similar procedure as for the analysis of the $\mathchar 28931\relax^{0}_{b}$ mass spectra, we take into account the reflection under the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ peak. Figure 2(b) shows the fit to the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}K^{-}$ mass distribution. There are signal peaks at both $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ masses on top of the background. A triple-Gaussian function with common means is used to fit each signal. The shape of the $B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}K^{-}$ mass distribution is taken to be the same as that of the signal $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decay. The effective r.m.s. width is 6.5 MeV. An exponential function is used to fit the combinatorial background. The shape of the $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ reflection is taken from simulation, the yield being Gaussian constrained in the global fit to the expected value. The mass fit gives $340\,256\pm 893$ signal and $11\,978\pm 153$ background candidates along with a negligible $573\pm 27$ contribution of $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ reflection candidates within $\pm 20$ MeV of the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ mass peak. All other reflection contributions are found to be negligible. ## 3 Measurement of the $\mathchar 28931\relax^{0}_{b}$ to $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ lifetime ratio The decay time, $t$, is calculated as $t=m\frac{\vec{d}\cdot\vec{p}}{|\vec{p}|^{2}},$ (1) where $m$ is the reconstructed invariant mass, $\vec{p}$ the momentum and $\vec{d}$ the flight distance vector of the particle between the production and decay vertices. The $b$ hadron is constrained to come from the primary vertex. To avoid systematic biases due to shifts in the measured decay time, we do not constrain the two muons to the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mass. The decay time distribution of the $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ signal can be described by an exponential function convolved with a resolution function, $G(t-t^{\prime},\sigma_{\mathchar 28931\relax^{0}_{b}})$, where $t^{\prime}$ is the true decay time, multiplied by an acceptance function, $A_{\mathchar 28931\relax^{0}_{b}}(t)$: $F_{\mathchar 28931\relax^{0}_{b}}(t)=A_{\mathchar 28931\relax^{0}_{b}}(t)\times[e^{-t^{\prime}/\tau_{\mathchar 28931\relax^{0}_{b}}}\otimes G(t-t^{\prime},{\sigma_{\mathchar 28931\relax^{0}_{b}}})].$ (2) The ratio of the decay time distributions of $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}(892)$ is given by $R(t)=\frac{A_{\mathchar 28931\relax^{0}_{b}}(t)\times[e^{-t^{\prime}/\tau_{\mathchar 28931\relax^{0}_{b}}}\otimes G(t-t^{\prime},{\sigma_{\mathchar 28931\relax^{0}_{b}}})]}{A_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}(t)\times[e^{-t^{\prime}/\tau_{\kern 0.89996pt\overline{\kern-0.89996ptB}{}^{0}}}\otimes G(t-t^{\prime},{\sigma_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}})]}.$ (3) The advantage of measuring the lifetime through the ratio is that the decay time acceptances introduced by the trigger requirements, selection and reconstruction almost cancel in the ratio of the decay time distributions. The decay time resolutions are 40 fs for the $\mathchar 28931\relax^{0}_{b}$ decay and 37 fs for the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decay [27]. They are both small enough in absolute scale, and similar enough for differences in resolutions between the two modes not to affect the final result. Thus, $R(t)=R(0)e^{-t(1/\tau_{\mathchar 28931\relax^{0}_{b}}-1/\tau_{\kern 0.89996pt\overline{\kern-0.89996ptB}{}^{0}})}=R(0)e^{-t\Delta_{\mathchar 28931\relax B}},$ (4) where $\Delta_{\mathchar 28931\relax B}\equiv 1/\tau_{\mathchar 28931\relax^{0}_{b}}-1/\tau_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}$ is the width difference and $R(0)$ is the normalization. Since the acceptances are not quite equal, a correction is implemented to first order by modifying Eq. (4) with a linear function $R(t)=R(0)[1+at]e^{-t\Delta_{\mathchar 28931\relax B}},$ (5) where $a$ represents the slope of the acceptance ratio as a function of decay time. The decay time acceptance is the ratio between the reconstructed decay time distribution for selected events and the generated decay time distribution convolved with the triple-Gaussian decay time resolutions obtained from the simulations. In order to ensure that the $p$ and $p_{\rm T}$ distributions of the generated $b$ hadrons are correct, we weight the simulated samples to match the data distributions. The simulations do not model the hadron identification efficiencies with sufficient accuracy for our purposes. Therefore we further weight the samples according to the hadron identification efficiencies obtained from $D^{*+}\rightarrow\pi^{+}D^{0},$ $D^{0}\rightarrow K^{-}\pi^{+}$ events for pions and kaons, and $\mathchar 28931\relax\rightarrow p\pi^{-}$ for protons. Figure 4: (a) Decay time acceptances (arbitrary scale) from simulation for (green) circles $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$, and (red) open-boxes $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\kern 1.79997pt\overline{\kern-1.79997ptK}{}^{*0}(892)$ decays. (b) Ratio of the decay time acceptances between $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ and $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\kern 1.79997pt\overline{\kern-1.79997ptK}{}^{*0}(892)$ decays obtained from simulation. The (blue) line shows the result of the linear fit. The $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ sample is also weighted using signal yields in bins of $m\left(pK^{-}\right)$. The decay time acceptances obtained from the weighted simulations are shown in Fig. 4(a). The individual acceptances in both cases exhibit the same behaviour. The ratio of the decay time acceptances is shown in Fig. 4(b). For decay times greater than 7 ps, the acceptance is poorly determined, while below 0.4 ps the individual acceptances decrease quickly. Thus, we consider decay times in the range $0.4-7.0$ ps. A $\chi^{2}$ fit to the acceptance ratio with a function of the form $C(1+at)$ between 0.4 and 7 ps, gives a slope $a=0.0066\pm 0.0023~{}\rm ps^{-1}$ and an intercept of $C=0.996\pm 0.005$. The $\chi^{2}/\rm ndf$ of the fit is $65/64$. In order to determine the ratio of $\mathchar 28931\relax^{0}_{b}$ to $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ lifetimes, we determine the yield of $b$ hadrons for both decay modes using unbinned maximum likelihood fits described in Sec. 2 to the $b$ hadron mass distributions in 22 bins of decay time of equal width between 0.4 and 7 ps. We use the parameters found from the time integrated fits fixed in each time bin, with the signal and background yields allowed to vary, except for the double misidentification background fraction that is fixed. The resulting signal yields as a function of decay time are shown in Fig. 5. Figure 5: Decay time distributions for $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ shown as (blue) circles, and $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\kern 1.79997pt\overline{\kern-1.79997ptK}{}^{*0}(892)$ shown as (green) squares. For most entries the error bars are smaller than the points. The subsequent decay time ratio distribution fitted with the function given in Eq. 5 is shown in Fig. 6. Figure 6: Decay time ratio between $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ and $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\kern 1.79997pt\overline{\kern-1.79997ptK}{}^{*0}(892)$ decays, and the fit for $\Delta_{\mathchar 28931\relax B}$ used to measure the $\mathchar 28931\relax^{0}_{b}$ lifetime. A $\chi^{2}$ fit is used with the slope $a=0.0066~{}\rm ps^{-1}$ fixed, and both the normalization parameter $R(0)$, and $\Delta_{\mathchar 28931\relax B}$ allowed to vary. The fitted value of the reciprocal lifetime difference is $\Delta_{\mathchar 28931\relax B}=17.9\pm 4.3\pm 3.1~{}\rm ns^{-1}.$ Whenever two uncertainties are quoted, the first is statistical and second systematic. The latter will be discussed in Sec. 4. The $\chi^{2}/\rm ndf$ of the fit is $20.3/20$. The resulting ratio of lifetimes is $\frac{\tau_{\mathchar 28931\relax^{0}_{b}}}{\tau_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}}=\frac{1}{1+\tau_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}\Delta_{\mathchar 28931\relax B}}=0.974\pm 0.006\pm 0.004,$ where we use the world average value $1.519\pm 0.007$ ps for $\tau_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}$ [1]. This result is consistent with and more precise than our previously measured value of $0.976\pm 0.012\pm 0.006$ [27]. Multiplying the lifetime ratio by $\tau_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}$, the $\mathchar 28931\relax^{0}_{b}$ baryon lifetime is $\tau_{\mathchar 28931\relax^{0}_{b}}=1.479\pm 0.009\pm 0.010~{}\rm ps.$ ## 4 Systematic uncertainties Sources of the systematic uncertainties on $\Delta_{\mathchar 28931\relax B}$, $\tau_{\mathchar 28931\relax^{0}_{b}}/\tau_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}$ and the $\mathchar 28931\relax^{0}_{b}$ lifetime are summarized in Table 1. Table 1: Systematic uncertainties on the $\Delta_{\mathchar 28931\relax B}$, the lifetimes ratio $\tau_{\mathchar 28931\relax^{0}_{b}}/\tau_{\kern 1.13394pt\overline{\kern-1.13394ptB}{}^{0}}$ and the $\mathchar 28931\relax^{0}_{b}$ lifetime. The systematic uncertainty associated with $\Delta_{\mathchar 28931\relax B}$ is independent of the $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}$ lifetime. Source | $\Delta_{\mathchar 28931\relax B}$ $(\rm ns^{-1})$ | $\tau_{\mathchar 28931\relax^{0}_{b}}/\tau_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}$ | $\tau_{\mathchar 28931\relax^{0}_{b}}$ $(\rm ps)$ ---|---|---|--- Signal shape | 1.5 | 0.0021 | 0.0032 Background model | 0.7 | 0.0010 | 0.0015 Double misidentification | 1.3 | 0.0019 | 0.0029 Acceptance slope | 2.2 | 0.0032 | 0.0049 Acceptance function | 0.2 | 0.0003 | 0.0004 Decay time fit range | 0.3 | 0.0004 | 0.0006 $pK$ helicity | 0.3 | 0.0004 | 0.0006 $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ lifetime | - | 0.0001 | 0.0068 Total | 3.1 | 0.0044 | 0.0096 The systematic uncertainty due to the signal model is estimated by comparing the results between the default fit with a triple-Gaussian function and a fit with a double-Gaussian function. We find a change of $\Delta_{\mathchar 28931\relax B}=1.5~{}\rm ns^{-1}$, which we assign as the uncertainty. Letting the signal shape parameters free in every time bin results in a change of $0.4~{}\rm ns^{-1}$. The larger of these two variations is taken as the systematic uncertainty on the signal shape. The uncertainties due to the background are estimated by comparing the default result to that obtained when we allow the exponential background parameter to float in each time bin. We also replace the exponential background function with a linear function; the resulting difference is smaller than the assigned uncertainty due to floating the background shape. The systematic uncertainty due to the normalization of the double misidentification background is evaluated by allowing the fraction to change in each time bin. The systematic uncertainties due to the acceptance slope are estimated by varying the slope, $a$, according to its statistical uncertainty from the simulation. An alternative choice of the acceptance function, where a second- order polynomial is used to parametrize the acceptance ratio between $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}(892)$, results in a smaller uncertainty. There is also an uncertainty due to the decay time range used because of the possible change of the acceptance ratio at short decay times. This uncertainty is ascertained by changing the fit range to be $0.7-7.0$ ps and using the difference with the baseline fit. This uncertainty is greatly reduced with respect to our previous publication [27] due to the larger fit range, finer decay time bins, and larger signal sample. In order to correctly model the acceptance, which can depend on the kinematics of the decay, the $\mathchar 28931\relax^{0}_{b}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}pK^{-}$ simulation is weighted according to the $m(pK^{-})$ distribution observed in data. As a cross-check, we weight the simulation according to the two-dimensional distribution of $m(pK^{-})$ and $pK^{-}$ helicity angle and assign the difference as a systematic uncertainty. In addition, the PDG value for the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ lifetime, $\tau_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}=1.519\pm 0.007~{}\rm ps$ [1], is used to calculate the $\mathchar 28931\relax^{0}_{b}$ lifetime; the errors contribute to the systematic uncertainty. The total systematic uncertainty is obtained by adding all of the contributions in quadrature. ## 5 Conclusions We determine the ratio of lifetimes of the $\mathchar 28931\relax^{0}_{b}$ baryon and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ meson to be $\frac{\tau_{\mathchar 28931\relax^{0}_{b}}}{\tau_{B^{0}}}=0.974\pm 0.006\pm 0.004.$ This is the most precise measurement to date and supersedes our previously published result [27]. It demonstrates that the $\mathchar 28931\relax^{0}_{b}$ lifetime is shorter than the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ lifetime by $-(2.6\pm 0.7)$%, consistent with the original predictions of the HQE [2, 11, 35, 36, 10], thus providing validation for the theory. Using the world average measured value for the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ lifetime [1], we determine $\tau_{\mathchar 28931\relax^{0}_{b}}=1.479\pm 0.009\pm 0.010~{}\rm ps,$ which is the most precise measurement to date. LHCb has also made a measurement of $\tau_{\mathchar 28931\relax^{0}_{b}}$ using the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\mathchar 28931\relax$ final state obtaining $1.415\pm 0.027\pm 0.006$ ps [37]. The two LHCb measurements have systematic uncertainties that are only weakly correlated, and we quote an average of the two measurements of $1.468\pm 0.009\pm 0.008$ ps. ## Acknowledgements We are thankful for many useful and interesting conversations with Prof. Nikolai Uraltsev who contributed greatly to theories describing heavy hadron lifetimes; unfortunately he passed away before these results were available. We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); MEN/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). We are indebted to the communities behind the multiple open source software packages we depend on. We are also thankful for the computing resources and the access to software R&D tools provided by Yandex LLC (Russia). ## References * [1] Particle Data Group, J. 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arxiv-papers
2014-02-25T17:01:26
2024-09-04T02:49:58.834759
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, B. Adeva, M. Adinolfi, A. Affolder, Z.\n Ajaltouni, J. Albrecht, F. Alessio, M. Alexander, S. Ali, G. Alkhazov, P.\n Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio, Y. Amhis, L. Anderlini,\n J. Anderson, R. Andreassen, M. Andreotti, J.E. Andrews, R.B. Appleby, O.\n Aquines Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G.\n Auriemma, M. Baalouch, S. Bachmann, J.J. Back, A. Badalov, V. Balagura, W.\n Baldini, R.J. Barlow, C. Barschel, S. Barsuk, W. Barter, V. Batozskaya, Th.\n Bauer, A. Bay, J. Beddow, F. Bedeschi, I. Bediaga, S. Belogurov, K. Belous,\n I. Belyaev, E. Ben-Haim, G. Bencivenni, S. Benson, J. Benton, A. Berezhnoy,\n R. Bernet, M.-O. Bettler, M. van Beuzekom, A. Bien, S. Bifani, T. Bird, A.\n Bizzeti, P.M. Bj{\\o}rnstad, T. Blake, F. Blanc, J. Blouw, S. Blusk, V. Bocci,\n A. Bondar, N. Bondar, W. Bonivento, S. Borghi, A. Borgia, M. Borsato, T.J.V.\n Bowcock, E. Bowen, C. Bozzi, T. Brambach, J. van den Brand, J. Bressieux, D.\n Brett, M. Britsch, T. Britton, N.H. Brook, H. Brown, A. Bursche, G. Busetto,\n J. Buytaert, S. Cadeddu, R. Calabrese, O. Callot, M. Calvi, M. Calvo Gomez,\n A. Camboni, P. Campana, D. Campora Perez, F. Caponio, A. Carbone, G. Carboni,\n R. Cardinale, A. Cardini, H. Carranza-Mejia, L. Carson, K. Carvalho Akiba, G.\n Casse, L. Cassina, L. Castillo Garcia, M. Cattaneo, Ch. Cauet, R. Cenci, M.\n Charles, Ph. Charpentier, S.-F. Cheung, N. Chiapolini, M. Chrzaszcz, K. Ciba,\n X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, I.\n Counts, B. Couturier, G.A. Cowan, D.C. Craik, M. Cruz Torres, S. Cunliffe, R.\n Currie, C. D'Ambrosio, J. Dalseno, P. David, P.N.Y. David, A. Davis, I. De\n Bonis, K. De Bruyn, S. De Capua, M. De Cian, J.M. De Miranda, L. De Paula, W.\n De Silva, P. De Simone, D. Decamp, M. Deckenhoff, L. Del Buono, N.\n D\\'el\\'eage, D. Derkach, O. Deschamps, F. Dettori, A. Di Canto, H. Dijkstra,\n S. Donleavy, F. Dordei, M. Dorigo, P. Dorosz, A. Dosil Su\\'arez, D. Dossett,\n A. Dovbnya, F. Dupertuis, P. Durante, R. Dzhelyadin, A. Dziurda, A. Dzyuba,\n S. Easo, U. Egede, V. Egorychev, S. Eidelman, S. Eisenhardt, U. Eitschberger,\n R. Ekelhof, L. Eklund, I. El Rifai, Ch. Elsasser, S. Esen, A. Falabella, C.\n F\\\"arber, C. Farinelli, S. Farry, D. Ferguson, V. Fernandez Albor, F.\n Ferreira Rodrigues, M. Ferro-Luzzi, S. Filippov, M. Fiore, M. Fiorini, C.\n Fitzpatrick, M. Fontana, F. Fontanelli, R. Forty, O. Francisco, M. Frank, C.\n Frei, M. Frosini, J. Fu, E. Furfaro, A. Gallas Torreira, D. Galli, S.\n Gambetta, M. Gandelman, P. Gandini, Y. Gao, J. Garofoli, J. Garra Tico, L.\n Garrido, C. Gaspar, R. Gauld, L. Gavardi, E. Gersabeck, M. Gersabeck, T.\n Gershon, Ph. Ghez, A. Gianelle, S. Giani', V. Gibson, L. Giubega, V.V.\n Gligorov, C. G\\\"obel, D. Golubkov, A. Golutvin, A. Gomes, H. Gordon, M.\n Grabalosa G\\'andara, R. Graciani Diaz, L.A. Granado Cardoso, E. Graug\\'es, G.\n Graziani, A. Grecu, E. Greening, S. Gregson, P. Griffith, L. Grillo, O.\n Gr\\\"unberg, B. Gui, E. Gushchin, Yu. Guz, T. Gys, C. Hadjivasiliou, G.\n Haefeli, C. Haen, T.W. Hafkenscheid, S.C. Haines, S. Hall, B. Hamilton, T.\n Hampson, S. Hansmann-Menzemer, N. Harnew, S.T. Harnew, J. Harrison, T.\n Hartmann, J. He, T. Head, V. Heijne, K. Hennessy, P. Henrard, L. Henry, J.A.\n Hernando Morata, E. van Herwijnen, M. He\\ss, A. Hicheur, D. Hill, M.\n Hoballah, C. Hombach, W. Hulsbergen, P. Hunt, N. Hussain, D. Hutchcroft, D.\n Hynds, M. Idzik, P. Ilten, R. Jacobsson, A. Jaeger, E. Jans, P. Jaton, A.\n Jawahery, F. Jing, M. John, D. Johnson, C.R. Jones, C. Joram, B. Jost, N.\n Jurik, M. Kaballo, S. Kandybei, W. Kanso, M. Karacson, T.M. Karbach, M.\n Kelsey, I.R. Kenyon, T. Ketel, B. Khanji, C. Khurewathanakul, S. Klaver, O.\n Kochebina, I. Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A.\n Kozlinskiy, L. Kravchuk, K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F.\n Kruse, M. Kucharczyk, V. Kudryavtsev, K. Kurek, T. Kvaratskheliya, V.N. La\n Thi, D. Lacarrere, G. Lafferty, A. Lai, D. Lambert, R.W. Lambert, E.\n Lanciotti, G. Lanfranchi, C. Langenbruch, B. Langhans, T. Latham, C.\n Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees, R. Lef\\`evre, A. Leflat, J.\n Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B. Leverington, Y. Li, M. Liles,\n R. Lindner, C. Linn, F. Lionetto, B. Liu, G. Liu, S. Lohn, I. Longstaff, J.H.\n Lopes, N. Lopez-March, P. Lowdon, H. Lu, D. Lucchesi, H. Luo, E. Luppi, O.\n Lupton, F. Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S. Malde, G.\n Manca, G. Mancinelli, M. Manzali, J. Maratas, U. Marconi, C. Marin Benito, P.\n Marino, R. M\\\"arki, J. Marks, G. Martellotti, A. Martens, A. Mart\\'in\n S\\'anchez, M. Martinelli, D. Martinez Santos, F. Martinez Vidal, D. Martins\n Tostes, A. Massafferri, R. Matev, Z. Mathe, C. Matteuzzi, A. Mazurov, M.\n McCann, J. McCarthy, A. McNab, R. McNulty, B. McSkelly, B. Meadows, F. Meier,\n M. Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J. Molina Rodriguez, S.\n Monteil, D. Moran, M. Morandin, P. Morawski, A. Mord\\`a, M.J. Morello, R.\n Mountain, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B. Muster, P. Naik,\n T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N. Neri, S. Neubert, N.\n Neufeld, A.D. Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R.\n Niet, N. Nikitin, T. Nikodem, A. Novoselov, A. Oblakowska-Mucha, V.\n Obraztsov, S. Oggero, S. Ogilvy, O. Okhrimenko, R. Oldeman, G. Onderwater, M.\n Orlandea, J.M. Otalora Goicochea, P. Owen, A. Oyanguren, B.K. Pal, A. Palano,\n F. Palombo, M. Palutan, J. Panman, A. Papanestis, M. Pappagallo, L.\n Pappalardo, C. Parkes, C.J. Parkinson, G. Passaleva, G.D. Patel, M. Patel, C.\n Patrignani, C. Pavel-Nicorescu, A. Pazos Alvarez, A. Pearce, A. Pellegrino,\n M. Pepe Altarelli, S. Perazzini, E. Perez Trigo, P. Perret, M. Perrin-Terrin,\n L. Pescatore, E. Pesen, G. Pessina, K. Petridis, A. Petrolini, E. Picatoste\n Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, A. Pistone, S. Playfer, M. Plo\n Casasus, F. Polci, A. Poluektov, E. Polycarpo, A. Popov, D. Popov, B.\n Popovici, C. Potterat, A. Powell, J. Prisciandaro, A. Pritchard, C. Prouve,\n V. Pugatch, A. Puig Navarro, G. Punzi, W. Qian, B. Rachwal, J.H. Rademacker,\n B. Rakotomiaramanana, M. Rama, M.S. Rangel, I. Raniuk, N. Rauschmayr, G.\n Raven, S. Reichert, M.M. Reid, A.C. dos Reis, S. Ricciardi, A. Richards, K.\n Rinnert, V. Rives Molina, D.A. Roa Romero, P. Robbe, D.A. Roberts, A.B.\n Rodrigues, E. Rodrigues, P. Rodriguez Perez, S. Roiser, V. Romanovsky, A.\n Romero Vidal, M. Rotondo, J. Rouvinet, T. Ruf, F. Ruffini, H. Ruiz, P. Ruiz\n Valls, G. Sabatino, J.J. Saborido Silva, N. Sagidova, P. Sail, B. Saitta, V.\n Salustino Guimaraes, B. Sanmartin Sedes, R. Santacesaria, C. Santamarina\n Rios, E. Santovetti, M. Sapunov, A. Sarti, C. Satriano, A. Satta, M. Savrie,\n D. Savrina, M. Schiller, H. Schindler, M. Schlupp, M. Schmelling, B. Schmidt,\n O. Schneider, A. Schopper, M.-H. Schune, R. Schwemmer, B. Sciascia, A.\n Sciubba, M. Seco, A. Semennikov, K. Senderowska, I. Sepp, N. Serra, J.\n Serrano, P. Seyfert, M. Shapkin, I. Shapoval, Y. Shcheglov, T. Shears, L.\n Shekhtman, O. Shevchenko, V. Shevchenko, A. Shires, R. Silva Coutinho, G.\n Simi, M. Sirendi, N. Skidmore, T. Skwarnicki, N.A. Smith, E. Smith, E. Smith,\n J. Smith, M. Smith, H. Snoek, M.D. Sokoloff, F.J.P. Soler, F. Soomro, D.\n Souza, B. Souza De Paula, B. Spaan, A. Sparkes, F. Spinella, P. Spradlin, F.\n Stagni, S. Stahl, O. Steinkamp, S. Stevenson, S. Stoica, S. Stone, B.\n Storaci, S. Stracka, M. Straticiuc, U. Straumann, R. Stroili, V.K. Subbiah,\n L. Sun, W. Sutcliffe, S. Swientek, V. Syropoulos, M. 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Wormser, S.A.\n Wotton, S. Wright, S. Wu, K. Wyllie, Y. Xie, Z. Xing, Z. Yang, X. Yuan, O.\n Yushchenko, M. Zangoli, M. Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y.\n Zhang, A. Zhelezov, A. Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Sheldon Stone", "url": "https://arxiv.org/abs/1402.6242" }
1402.6243
∎ 11institutetext: Ahmed M. Alaa 22institutetext: Electronics and Electrical Communications Engineering Dept., Cairo University, Gizah 12316, Egypt Tel.: +20-0100-2968798 22email: [email protected] 33institutetext: Omar A. Nasr 44institutetext: Electronics and Electrical Communications Engineering Dept., Cairo University, Gizah 12316, Egypt 44email: [email protected] # Globally Optimal Cooperation in Dense Cognitive Radio Networks Ahmed M. Alaa Omar A. Nasr (Received: date / Accepted: date) ###### Abstract The problem of calculating the local and global decision thresholds in hard decisions based cooperative spectrum sensing is well known for its mathematical intractability. Previous work relied on simple suboptimal counting rules for decision fusion in order to avoid the exhaustive numerical search required for obtaining the optimal thresholds. However, these simple rules are not globally optimal as they do not maximize the overall global detection probability by jointly selecting local and global thresholds. Instead, they maximize the detection probability for a specific global threshold. In this paper, a globally optimal decision fusion rule for Primary User signal detection based on the Neyman-Pearson (NP) criterion is derived. The algorithm is based on a novel representation for the global performance metrics in terms of the regularized incomplete beta function. Based on this mathematical representation, it is shown that the globally optimal NP hard decision fusion test can be put in the form of a conventional one dimensional convex optimization problem. A binary search for the global threshold can be applied yielding a complexity of $\mathcal{O}(\log_{2}(N))$, where $N$ represents the number of cooperating users. The logarithmic complexity is appreciated because we are concerned with dense networks, and thus $N$ is expected to be large. The proposed optimal scheme outperforms conventional counting rules, such as the OR, AND, and MAJORITY rules. It is shown via simulations that, although the optimal rule tends to the simple OR rule when the number of cooperating secondary users is small, it offers significant SNR gain in dense cognitive radio networks with large number of cooperating users. ###### Keywords: Cooperative spectrum sensing Cognitive radio Decision Fusion Optimization ## 1 Introduction Cognitive radio (CR) is a promising technology offering enhanced spectrum efficiency via dynamic spectrum access [1], [2]. In a CR network, unlicensed Secondary Users (SU) can opportunistically occupy the unused spectrum allocated to a licensed primary user (PU). This is achieved by means of PU signal detection. Detection of PU signal entails sensing the spectrum occupied by the licensed user in a continuous manner. Based on the sensing data, the SU is required to decide whether or not a PU exists. A common problem encountered in CR systems is the hidden terminal problem [3], where shadowing and multipath fading affect the strength of the PU signal causing it to be undetectable. Hence, spatial diversity is applied by utilizing multiple decisions from several SU terminals using a decision fusion rule. The fusion rule is applied by a central terminal known as the fusion center. Two basic approaches for decision combining are discussed in literature: soft decision (SD) and hard decision (HD) combining. The former relies on adding the sensed energies, while the latter combines one-bit local decisions to make a final decision [4]. In this work, we tackle the problem of optimizing the HD combining scheme based on Neyman-pearson (NP) criterion. While the optimal NP test has been formulated for the SD combining case [4], it is much more challenging to apply an optimal NP test for the HD combining scheme. The reason for this is that every SU employs a local detection threshold, while the fusion center applies a global threshold to make a final decision on the existence of a PU. Thus, unlike the simple one-dimensional problem in SD combining, two degrees of freedom are considered in the HD combining optimization problem. In his pioneering work, Tsitsiklist [5] showed that the problem is mathematically intractable and an exhaustive search would be used to obtain local detection thresholds. In a recent comprehensive survey, Quan et al [6] pointed out that computing the optimal decision thresholds under the NP criterion is mathematically intractable. Various suboptimal solutions were presented in literature. In [7], the problem was solved by simply fixing local thresholds and obtaining the optimum global threshold or vice versa. Recently, the problem was revisited in [8], were large deviation analysis was used to determine a local decision rule to optimize the asymptotic global performance. However, the intractability of the exact NP optimization problem was again emphasized. In literature, the adopted HD combining rules are never globally optimal. Researchers usually employ simple suboptimal AND, OR or MAJORITY counting rules for global detection [9][10]. Others try to calculate the optimim local and global thresholds but mainly using exhaustive numerical methods [11][12]. In [4], the performance of the SD combining scheme with NP test was compared with an OR-rule based HD combining scheme, which is not necessarily optimal. The problem of HD and SD performance comparison was thoroughly studied in [12]. However, the authors used suboptimal counting rules and stated that the threshold calculations are not trivial as complex optimization schemes are needed to solve them. Although simple fusion rules, such as the OR rule, is usually found to be optimal for cognitive radio networks with small number of cooperating SUs, it was never verified in literature that the same applies for dense networks with large number of SUs. In this work, we propose a globally optimal decision fusion rule for HD combining based on Neyman-pearson criterion. It is shown that the NP optimal thresholds can be obtained by solving a simple one- dimensional convex optimization problem. Besides, we obtain a closed form expression for the local detection threshold as a function of the optimal global threshold. A simple and efficient algorithm for optimizing global and local thresholds is proposed. Although the algorithm is general and can be applied for any number of SUs, it is shown that it offers significant performance gain compared to the OR rule in networks with large number of cooperating users. The rest of the paper is organized as follows. In section 2, we present the system model. Next, we propose the globally optimal HD combining scheme in section 3. Simulation results are discussed in section 4. Finally, we draw our conclusion in section 5. ## 2 System Model We investigate cooperative spectrum sensing in a CR network with $N$ cognitive users and a single common receiver (Fusion Center). We assume that the SU observes $M$ samples for spectrum sensing. Energy detection is adopted as a spectrum sensing technique. It is assumed that the instantaneous SNR at the $j^{th}$ node is $\gamma_{j}$ and the primary signalӳ $i^{th}$ sample at the $j^{th}$ CR is $S_{ji}$, and considered constant with unity power for the entire sensing period. The additive white noise is $n_{ji}$ $\sim$ $\mathcal{N}(0,1)$. Thus, the $i^{th}$ sample received at the $j^{th}$ CR is a binary hypothesis give by: $r_{ji}=\left\\{\begin{array}[]{lr}n_{ji},&\ \mathcal{H}_{o}\\\ \sqrt{\gamma_{j}}\hskip 2.84526ptS_{ji}+n_{ji},&\ \mathcal{H}_{1}\end{array}\right.$ (1) The conditional distributions on null and alternative hypotheses are: $r_{ji}\sim\left\\{\begin{array}[]{lr}\mathcal{N}(0,1),&\ \mathcal{H}_{o}\\\ \mathcal{N}(\sqrt{\gamma_{j}},1),&\ \mathcal{H}_{1}\end{array}\right.$ (2) where $\mathcal{H}_{o}$ denotes the absence of the PU, while $\mathcal{H}_{1}$ denotes the existence of the PU. After applying such signal to an energy detector and obtaining binary decisions on PU existence, the local false alarm and detection probabilities at the $j^{th}$ CR are [2]: $P_{F}(M,\lambda)=P(Y_{j}>\lambda|\mathcal{H}_{o})=\frac{\Gamma(\frac{M}{2},\frac{\lambda}{2})}{\Gamma(\frac{M}{2})},$ and $P_{D}(M,\lambda,\gamma_{j})=P(Y_{j}>\lambda|\mathcal{H}_{1})=Q_{M/2}(\sqrt{2\gamma_{j}},\sqrt{\lambda})$ (3) where $\lambda$ is the local threshold, $\Gamma(.,.)$ is the incomplete gamma function, $\Gamma(.)$ is the gamma function, and $Q_{u}(.)$ is the generalized Marcum Q-function. We assume Rayleigh fading with an average SNR of $\overline{\gamma}$. The average SNR is assumed to be the same for all CR users. The instantaneous SNR is assumed to be constant over the $M$ observable samples. Different observations perceive different SNR values. The SNR varies according to the exponential pdf: $f_{\gamma}(\gamma)=\frac{1}{\overline{\gamma}}e^{-\frac{\gamma}{\overline{\gamma}}},\gamma\geq 0.$ (4) The reporting channel between the SUs and the fusion center is assumed to be free of errors. ## 3 Globally Optimal Hard Decision Fusion In this section, we propose a globally optimal algorithm for HD combining based on the Neyman-Pearson criterion. The ultimate goal of a Neyman-pearson test is to maximize the detection probability for a given false alarm probability. The overall performance of the HD scheme is determined by the global detection and false alarm probabilities, which are functions of the local detection and false alarm probabilities given in equation (3). As the fusion center employs an n-out-of-N rule fusion rule, we let $l$ be the test statistic denoting the number of votes for the existence of PU from the $N$ SU votes. Hence, the conditional pdfs follow the binomial distribution as [3]: $P(l|\mathcal{H}_{o})=\binom{N}{l}\hskip 4.2679ptP_{F}^{l}\hskip 4.2679pt(1-P_{F})^{N-l}$ and $P(l|\mathcal{H}_{1})=\binom{N}{l}\hskip 4.2679pt\overline{P}_{D}^{l}\hskip 4.2679pt(1-\overline{P_{D}})^{N-l},$ (5) where $\overline{P}_{D}$ is the local detection probability averaged over the fading channel pdf as follows: $\overline{P}_{D}=\int_{0}^{\infty}Q_{M/2}(\sqrt{2\gamma},\sqrt{\lambda})\,\,\frac{1}{\overline{\gamma}}e^{-\frac{\gamma}{\overline{\gamma}}}\,d\gamma.$ (6) and the global false alarm and detection probabilities $Q_{f}$ and $Q_{d}$ are [3][12]: $Q_{f}(n,\lambda)=\sum_{l=n}^{N}\binom{N}{l}\hskip 4.2679ptP_{F}^{l}(\lambda)\hskip 4.2679pt(1-P_{F}(\lambda))^{N-l},$ $Q_{d}(n,\lambda)=\sum_{l=n}^{N}\binom{N}{l}\hskip 4.2679pt\overline{P}_{D}^{l}(\lambda)\hskip 4.2679pt(1-\overline{P}_{D}(\lambda))^{N-l}.$ (7) The global Neyman-pearson threshold for the discrete observable random variable $l$ is denoted by $n$. We search for the pair of thresholds $(n,\lambda)_{opt}$ that maximizes the global detection probability $Q_{d}$ for $Q_{f}$ = $\alpha$. Unlike the conventional Neyman-Pearson detection schemes, we have two degrees of freedom dictated by the local and global thresholds. The cumulative density function (CDF) of the binomial distribution can be written in the form of the regularized incomplete beta function defined as [13, eq. 6.6.2]: $\mathcal{I}(x;a,b)=\frac{\beta(x;a,b)}{\beta(a,b)},$ where $\beta(x;a,b)=\int_{0}^{x}t^{a-1}(1-t)^{b-1}dt$ is the upper incomplete beta function and $\beta(a,b)=\int_{0}^{1}t^{a-1}(1-t)^{b-1}dt$ is the beta function. The CDF of a binomial random variable $x\sim B(N,p)$ is $F(x\leq X)=\mathcal{I}(1-p;N-X,X+1)$ [13, eq. 6.6.4]. Thus, the cumulative density of the discrete variable $l$ under $\mathcal{H}_{o}$ hypothesis is given by: $P(L\leq n|\mathcal{H}_{o})=\mathcal{I}(1-P_{F};N-n,n+1),$ (8) and the global false alarm probability is given by: $\displaystyle Q_{f}$ $\displaystyle=$ $\displaystyle 1-P(L<n|\mathcal{H}_{o})=1-P(L\leq n-1|\mathcal{H}_{o})$ (9) $\displaystyle=$ $\displaystyle 1-\mathcal{I}(1-P_{F};N-n+1,n).$ One of the properties of the regularized incomplete beta function is the symmetry property [13, eq. 6.6.3]: $1-\mathcal{I}(1-p;a,b)=\mathcal{I}(p,b,a).$ Applying this property to equation (9): $Q_{f}=\mathcal{I}(P_{F};n,N-n+1),$ (10) and by using the inverse regularized beta function, we can obtain the local false alarm probability by setting $Q_{f}$ = $\alpha$: $P_{F}=\mathcal{I}^{-1}(\alpha;n,N-n+1).$ (11) The regularized beta function and its inverse are implemented with low complexity algorithms in mathematical software tools like MATLAB and MATHEMATICA. The same algorithms can be implemented at the SU recievers. Similarly, the global detection probability is given by: $Q_{d}=\mathcal{I}(\overline{P}_{D};n,N-n+1).$ (12) Before presenting the proposed Neyman-Pearson algorithm, we construct some auxiliary mathematical tools. We define the functions $\zeta_{M}(x)$ and $\Phi_{M}(x,a,b)$ as: $\zeta_{M}(x)=\frac{\Gamma(\frac{M}{2},\frac{x}{2})}{\Gamma(\frac{M}{2})}$ and $\Phi_{M}(x,a,b)=\mathcal{I}(\zeta_{M}(x);a,b-a+1).$ (13) With the inverse function given by: $\Phi_{M}^{-1}(y,a,b)=\zeta_{M}^{-1}(\mathcal{I}^{-1}(y;a,b-a+1)).$ (14) Where $\zeta^{-1}_{M}(.)$ is the inverse incomplete gamma function. We can rewrite the global false alarm probability and local threshold in terms of the $\Phi_{M}(x;a,b)$ function by combining equation (3) with equation (10): $Q_{f}=\Phi_{M}(\lambda;n,N),$ (15) $\lambda=\Phi_{M}^{-1}(\alpha;n,N).$ (16) Note that equation (15) is a single equation in two unknowns $n$ and $\lambda$. Thus, there is an infinte number of $(n,\lambda)$ pairs that solve (15). We search for the pair that maximizes the expression in (12). The global detection probability $Q_{d}(n)$ is a log-concave function of the global threshold $n$. Thus, the global and local threshold pair $(n,\lambda)_{opt}$ is obtained by solving the convex optimization problem: $n_{opt}=\underset{n\in\\{1,\cdots,N\\}}{\operatorname{arg\,min}}\,\biggl{(}-\ln\left(\hskip 3.55658pt\mathcal{I}\left(\hskip 2.84526pt\overline{P}_{D}(n);n,N-n+1\right)\right)\biggr{)},$ and $\lambda_{opt}=\Phi_{M}^{-1}(\alpha;n_{opt},N).$ (17) Our objective is to prove that the global detection probability in equation (12) is a log-concave function of $n$. Hence, taking the negative of its natural logarithm leads to a straight forward convex optimization problem. Note that the regularized incomplete beta function can be written in terms of the gauss hypergeometric function ${}_{2}F_{1}\left(.;.;.;.\right)$ as [14, eq. 8.392]: $Q_{d}(n)=\frac{{\overline{{P}}_{D}}^{n}}{n\hskip 2.84526pt\beta(n,N-n+1)}\hskip 2.84526pt_{2}F_{1}\left(n;n-N;n+1;\overline{P}_{D}\right).$ Furthermore, the beta function can be obtained in terms of the gamma function as in [14, eq. 8.384.1] which yields: $Q_{d}(n)=\frac{{\overline{{P}}_{D}}^{n}\hskip 2.84526pt\Gamma(N+1)}{n\hskip 2.84526pt\Gamma(n)\Gamma(N-n+1)}\hskip 2.84526pt_{2}F_{1}\left(n;n-N;n+1;\overline{P}_{D}\right).$ By replacing the gauss hypergeometric function by the equivalent series representation [15, eq. (4)]: $Q_{d}(n)=\frac{{\overline{{P}}_{D}}^{n}\hskip 2.84526pt\Gamma(N+1)}{n\hskip 2.84526pt\Gamma(n)\Gamma(N-n+1)}\hskip 2.84526pt\sum_{k=0}^{\infty}\frac{(n)_{k}(n-N)_{k}}{(n+1)_{k}}\times\frac{{\overline{{P}}_{D}}^{k}}{k!},$ where $(a)_{k}=a(a+1)\cdots(a+k-1)$ is Pochhammer’s symbol, which can be represented by $(a)_{k}=\frac{\Gamma(a+k)}{\Gamma(a)}$ [15, eq. (1)]. By simplifying the above expression using the gamma function representation of the Pochhammer symbols, the function $Q_{d}(n)$ becomes: $Q_{d}(n)=\sum_{k=0}^{\infty}\Xi(n,k),$ where $\Xi(n,k)\propto$ $\underbrace{(n-N)_{k}}_{F_{1}(n,k)}\times\underbrace{\frac{1}{n\Gamma(n)}}_{F_{2}(n,k)}\times\underbrace{\frac{1}{(n+k)\Gamma(N-n)}}_{F_{3}(n,k)}\times\underbrace{{\overline{P}_{D}}^{n+k}}_{F_{4}(n,k)}.$ (18) Thus, the global detection probability is composed of $\Xi(n,k)$ terms that are summed over $k$. Every $\Xi(n,k)$ term is proportional (within a positive scale) to the product of the terms $F_{1}(n,k)$, $F_{2}(n,k)$, $F_{3}(n,k)$ and $F_{4}(n,k)$ as depicted by equation (18). We start by studying the behavior of each $F(n,k)$ term individually. * • log-concavity of $F_{1}(n,k)$ In order to prove the log-concavity of Pochhammer’s symbol $F_{1}(n,k)=(n-N)_{k}$, we take the natural logarithm of the gamma function representation of $F_{1}(n,k)$ as: $\ln(F_{1}(n,k))=\ln(\Gamma(n-N+k))-\ln(\Gamma(n-N)).$ Applying the second derevative test, we get: $\frac{\partial^{2}\ln(F_{1}(n,k))}{\partial n^{2}}=\psi^{\tiny{(1)}}(n-N+k)-\psi^{\tiny{(1)}}(n-N),$ where $\psi^{\tiny{(1)}}(x)$ is the first order polygamma function [13, eq. 6.4.1]. Based on the property $\psi^{(1)}(x+1)=\psi^{(1)}(x)-\frac{1}{x^{2}}$ [13, eq. 6.4.6], we conclude that $\psi^{(1)}(x+k)<\psi^{(1)}(x),\forall k>0$. Thus, $\psi^{\tiny{(1)}}(n-N+k)-\psi^{\tiny{(1)}}(n-N)$ is always negative and the function $F_{1}(n,k)$ is log-concave. * • log-concavity of $F_{2}(n,k)$ and $F_{3}(n,k)$ The second derevative test for $F_{2}(n,k)$ is given by: $\frac{\partial^{2}\ln(F_{2}(n,k))}{\partial n^{2}}=\psi^{\tiny{(1)}}(n+1)-2\psi^{\tiny{(1)}}(n),$ which is always negative as $\psi^{(1)}(x+1)<\psi^{(1)}(x)$, $\forall x>0$. Hence, the second derevative test shows the log-concavity of $F_{2}(n,k)$. A similar analysis can be applied to $F_{3}(n,k)$. Figure 1: The behavior of local threshold as a function of the global threshold. Figure 2: The concavity of $Q_{d}(n)$ for various numbers of cooperating users. Figure 3: Convexity of the objective function. * • log-concavity of $F_{4}(n,k)$ Note that $F_{4}(n,k)$ is given by $F_{4}(n,k)=\int_{0}^{\infty}Q_{M/2}(\sqrt{2\gamma},\sqrt{\lambda})\,\,\frac{1}{\overline{\gamma}}e^{-\frac{\gamma}{\overline{\gamma}}}\,d\gamma.$ The log-concavity of the functions $b\to Q_{M/2}(a,b)$ and $b\to Q_{M/2}(a,\sqrt{b})$ were shown in [14]. Thus, $Q_{M/2}(\sqrt{2\gamma},\sqrt{\lambda})$ is a log-concave function of $\lambda$. By discretization of the integral defining $F_{4}(n,k)$, we obtain $F_{4}(n,k)=\lim_{\bigtriangleup\gamma\to 0}\sum_{i=0}^{\infty}Q_{M/2}(\sqrt{2i\bigtriangleup\gamma},\sqrt{\lambda})\,\,\frac{1}{\overline{\gamma}}e^{-\frac{i\bigtriangleup\gamma}{\overline{\gamma}}}\,\bigtriangleup\gamma.$ Because the terms $\frac{1}{\overline{\gamma}}e^{-\frac{i\bigtriangleup\gamma}{\overline{\gamma}}}\,\bigtriangleup\gamma$ in the summation are all positive, and the terms $Q_{M/2}(\sqrt{2i\bigtriangleup\gamma},\sqrt{\lambda})$ are all log-concave in $\lambda$, thus $F_{4}(n,k)$ is the sum of positive scaled log-concave functions, which means that $F_{4}(n,k)$ is also a log-concave function. Based on the above discussion, we conclude that the function $\Xi(n,k)$ is a product of log-concave functions. As the product and addition operations preserve log-concavity [17], $\Xi(n,k)$ and $Q_{d}(n)$ are both log-concave on all positive values of $n$. Because $Q_{d}(n)$ is a log-concave function of $n$, we can obtain the global threshold by minimization of the convex function $-\ln(Q_{d}(n))$. To sum up, a cognitive radio user needs to perform a simple two step algorithm in order to obtain the optimal thresholds. Given $\overline{\gamma}$, $M$, $N$, and assuming that $N$ is odd, the SU applies the following two steps: Step 1: Obtain the optimal global threshold $n_{opt}$ by applying convex minimization to the objective function $\biggl{(}-\ln\left(\hskip 3.55658pt\mathcal{I}\left(\hskip 2.84526pt\overline{P}_{D}(n);n,N-n+1\right)\right)\biggr{)}$. This can be done using a binary search as follows: 1:procedure Global threshold($N,M$) 2: $n_{opt}\leftarrow 0$ 3: $i\leftarrow 1$ 4: $j\leftarrow\frac{N}{2}$ 5: $k\leftarrow 0$ 6: $F(n)\leftarrow\biggl{(}-\ln\left(\hskip 3.55658pt\mathcal{I}\left(\hskip 2.84526pt\overline{P}_{D}(n);n,N-n+1\right)\right)\biggr{)}$ 7: while $k\not=1$ do 8: if $F(j)\leq F(j+1)\,\ and\,\ F(j)\leq F(j-1)$ then 9: $n_{opt}\leftarrow j$ 10: $k\leftarrow 1$ 11: else 12: $i\leftarrow i+1$ 13: $j\leftarrow j+sign(F(j-1)-F(j+1))\frac{N}{2^{i}}$ 14: end if 15: end while 16: return $n_{opt}$ 17:end procedure Step 2: Obtain the optimal local thresholds using the equation $\lambda_{opt}=\Phi_{M}^{-1}(\alpha;n_{opt},N)$. The optimization of the objective function is a done using a simple binary search approach. The feasibility of binary search is due to the convexity of the set of points representing the discrete objective function $-ln(Q_{d})$. Thus, the algorithm has a complexity of $\mathcal{O}(\log_{2}(N))$, and it scales logarithmically with the number of cooperating users. Because we are mainly concerned with dense networks, the logarithmic complexity is appreciated. This would be appreciated by CR reciever designers as threshold optimization has to be done every time the listening or reporting channels change [12]. Figures 2 depicts the impact of the number of cooperating users and SNR on $Q_{d}(n)$ for a false alarm probability of 0.01. It is shown that as more users cooperate, the detection probability improves. It is found that an OR-rule would be optimal for the case of $N$ = 4 case. However, as $N$ increases, the maximum detection probability becomes interior to the range $(1,N)$. Figure 3 depicts the convexity of the objective function $-ln(Q_{d}(n))$ at $N$ = 32. It is shown that increasing SNR will normally lead to an enhanced detection performance. ## 4 Simulation results In this section, we aim at characterizing the performance of the proposed globally optimal algorithm. The optimal fusion rule employs the thresholds calculated via the optimization problem in (17). We first verify the accuracy of the analytic model adopted in our work. In figure 4, the simulated detection probability is plotted versus SNR and compared with the numerical results obtained from equation (12). It is shown that both results nearly coincide. In order to verify the optimality of the proposed algorithm, a comparison is done between the optimal rule and the conventional AND, OR and MAJORITY rules in figure 5. In all simulations, we set $Q_{F}$ = 0.01. It is shown that for N = 16, the optimal rule offers 1 dB SNR gain over the OR-rule and 1.5 dB gain over MAJORITY rule. The optimal scheme significantly outperforms the AND rule scheme. Moreover, the impact of the number of sensing samples $M$ (or equivalently, the sensing time) is demonstrated in figure 6. At an SNR of -2 dB and N = 16, we plot the global detection probability for $M$ = 6, 12, 18, and 24. It is shown that the maximum detection probability is significantly boosted from more than 0.6 at $M$ = 6 to more than 0.9 at $M$ = 18. This boost in detection probability comes on the expense of sensing delay. Figure 7 translates this detection probability boost into an SNR gain for the same number of cooperating users ($N$ = 16). It is found that increasing the number of sensing samples from 6 to 24 can offer up to a 4 dB SNR gain. It is worth mentioning that the proposed scheme offers significant gain only in networks with large number of cooperating users. As demonstrated by figure 8, when N = 8, the OR-rule and the optimal fusion rule have nearly equal performance. The attained SNR gain is only significant when the number of cooperating users increase to N = 16 and 32. The SNR gain attained in both cases are 1 dB and 2 dB respectively. Thus, the proposed scheme would be appreciated in dense cooperative networks. Figure 4: Simulation results comapred with the proposed analysis. Figure 5: Comparison between optimal rule and suboptimal counting rules. Figure 6: Impact of the number of sensing samples on the global detection probability. Figure 7: SNR gain obtained by increasing the number of sensing samples. Figure 8: Optimality of the proposed fusion rule in networks with large number of cooperating users. ## 5 Conclusion In this paper, we proposed a globally optimal hard decisions fusion scheme for cooperative spectrum sensing. This problem has been always known for being complex and mathematically intractable. We have proved that the optimal local and global Neyman-Pearson thresholds can be obtained by a simple convex optimization problem. This is achieved by utilizing the mathematical representation of the global detection and false alarm probabilities in terms of a regularized incomplete beta function. The log-concavity of global detection probability as a function of the global threshold paves the way for constructing a convex objective function. The proposed algorithm has a complexity of $\mathcal{O}(\log_{2}(N))$. Simulation results verify the optimality of the proposed scheme. It is shown that the globally optimal scheme offers significant gain only when the number of cooperating users is large. Otherwise, one can use a simple OR-rule. ## References * (1) S. Haykin, ”Cognitive radio: brain-empowered wireless communications,” _IEEE Journal on Selected Areas in Communications_ , vol. 23, pp. 201-220, Feb. 2005. * (2) A. Ghasemi and E. 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arxiv-papers
2014-02-25T17:04:11
2024-09-04T02:49:58.846071
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Ahmed M. Alaa and Omar A. Nasr", "submitter": "Ahmed Alaa", "url": "https://arxiv.org/abs/1402.6243" }
1402.6248
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2013-024 LHCb-PAPER-2013-069 Measurement of resonant and $C\\!P$ components in $\kern 2.59189pt\overline{\kern-2.59189ptB}{}^{0}_{s}\rightarrow J/\psi\pi^{+}\pi^{-}$ decays The LHCb collaboration†††Authors are listed on the following pages. The resonant structure of the decay $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}$ is studied using data corresponding to 3 fb-1 of integrated luminosity from $pp$ collisions by the LHC and collected by the LHCb detector. Five interfering $\pi^{+}\pi^{-}$ states are required to describe the decay: $f_{0}(980),~{}f_{0}(1500),~{}f_{0}(1790),~{}f_{2}(1270)$, and $f_{2}^{\prime}(1525)$. An alternative model including these states and a non-resonant ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}$ component also provides a good description of the data. Based on the different transversity components measured for the spin-2 intermediate states, the final state is found to be compatible with being entirely $C\\!P$-odd. The $C\\!P$-even part is found to be $<2.3$% at 95% confidence level. The $f_{0}(500)$ state is not observed, allowing a limit to be set on the absolute value of the mixing angle with the $f_{0}(980)$ of $<7.7^{\circ}$ at 90% confidence level, consistent with a tetraquark interpretation of the $f_{0}(980)$ substructure. Submitted to Phys. Rev. D © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij41, B. Adeva37, M. Adinolfi46, A. Affolder52, Z. Ajaltouni5, J. Albrecht9, F. Alessio38, M. Alexander51, S. Ali41, G. Alkhazov30, P. Alvarez Cartelle37, A.A. Alves Jr25, S. Amato2, S. Amerio22, Y. Amhis7, L. Anderlini17,g, J. Anderson40, R. Andreassen57, M. Andreotti16,f, J.E. Andrews58, R.B. Appleby54, O. Aquines Gutierrez10, F. Archilli38, A. Artamonov35, M. Artuso59, E. Aslanides6, G. Auriemma25,n, M. Baalouch5, S. Bachmann11, J.J. Back48, A. Badalov36, V. Balagura31, W. Baldini16, R.J. Barlow54, C. Barschel39, S. Barsuk7, W. Barter47, V. Batozskaya28, Th. Bauer41, A. Bay39, J. Beddow51, F. Bedeschi23, I. Bediaga1, S. Belogurov31, K. Belous35, I. Belyaev31, E. Ben-Haim8, G. Bencivenni18, S. Benson50, J. Benton46, A. Berezhnoy32, R. Bernet40, M.-O. Bettler47, M. van Beuzekom41, A. Bien11, S. Bifani45, T. Bird54, A. Bizzeti17,i, P.M. Bjørnstad54, T. Blake48, F. Blanc39, J. Blouw10, S. Blusk59, V. Bocci25, A. Bondar34, N. Bondar30, W. Bonivento15,38, S. Borghi54, A. Borgia59, M. Borsato7, T.J.V. Bowcock52, E. Bowen40, C. Bozzi16, T. Brambach9, J. van den Brand42, J. Bressieux39, D. Brett54, M. Britsch10, T. Britton59, N.H. Brook46, H. Brown52, A. Bursche40, G. Busetto22,r, J. Buytaert38, S. Cadeddu15, R. Calabrese16,f, O. Callot7, M. Calvi20,k, M. Calvo Gomez36,p, A. Camboni36, P. Campana18,38, D. Campora Perez38, A. Carbone14,d, G. Carboni24,l, R. Cardinale19,j, A. Cardini15, H. Carranza-Mejia50, L. Carson50, K. Carvalho Akiba2, G. Casse52, L. Cassina20, L. Castillo Garcia38, M. Cattaneo38, Ch. Cauet9, R. Cenci58, M. Charles8, Ph. Charpentier38, S.-F. Cheung55, N. Chiapolini40, M. Chrzaszcz40,26, K. Ciba38, X. Cid Vidal38, G. Ciezarek53, P.E.L. Clarke50, M. Clemencic38, H.V. Cliff47, J. Closier38, C. Coca29, V. Coco38, J. Cogan6, E. Cogneras5, P. Collins38, A. Comerma-Montells36, A. Contu15,38, A. Cook46, M. Coombes46, S. Coquereau8, G. Corti38, I. Counts56, B. Couturier38, G.A. Cowan50, D.C. Craik48, M. Cruz Torres60, S. Cunliffe53, R. Currie50, C. D’Ambrosio38, J. Dalseno46, P. David8, P.N.Y. David41, A. Davis57, I. De Bonis4, K. De Bruyn41, S. De Capua54, M. De Cian11, J.M. De Miranda1, L. De Paula2, W. De Silva57, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, N. Déléage4, D. Derkach55, O. Deschamps5, F. Dettori42, A. Di Canto11, H. Dijkstra38, S. Donleavy52, F. Dordei11, M. Dorigo39, P. Dorosz26,o, A. Dosil Suárez37, D. 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Zvyagin38. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Milano, Milano, Italy 22Sezione INFN di Padova, Padova, Italy 23Sezione INFN di Pisa, Pisa, Italy 24Sezione INFN di Roma Tor Vergata, Roma, Italy 25Sezione INFN di Roma La Sapienza, Roma, Italy 26Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 27AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 28National Center for Nuclear Research (NCBJ), Warsaw, Poland 29Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 30Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 31Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 32Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 33Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 34Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 35Institute for High Energy Physics (IHEP), Protvino, Russia 36Universitat de Barcelona, Barcelona, Spain 37Universidad de Santiago de Compostela, Santiago de Compostela, Spain 38European Organization for Nuclear Research (CERN), Geneva, Switzerland 39Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 40Physik-Institut, Universität Zürich, Zürich, Switzerland 41Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 42Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 43NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 44Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 45University of Birmingham, Birmingham, United Kingdom 46H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 47Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 48Department of Physics, University of Warwick, Coventry, United Kingdom 49STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 50School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 51School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 52Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 53Imperial College London, London, United Kingdom 54School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 55Department of Physics, University of Oxford, Oxford, United Kingdom 56Massachusetts Institute of Technology, Cambridge, MA, United States 57University of Cincinnati, Cincinnati, OH, United States 58University of Maryland, College Park, MD, United States 59Syracuse University, Syracuse, NY, United States 60Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 61Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 62National Research Centre Kurchatov Institute, Moscow, Russia, associated to 31 63Instituto de Fisica Corpuscular (IFIC), Universitat de Valencia-CSIC, Valencia, Spain, associated to 36 64KVI - University of Groningen, Groningen, The Netherlands, associated to 41 65Celal Bayar University, Manisa, Turkey, associated to 38 aUniversidade Federal do Triângulo Mineiro (UFTM), Uberaba-MG, Brazil bP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia cUniversità di Bari, Bari, Italy dUniversità di Bologna, Bologna, Italy eUniversità di Cagliari, Cagliari, Italy fUniversità di Ferrara, Ferrara, Italy gUniversità di Firenze, Firenze, Italy hUniversità di Urbino, Urbino, Italy iUniversità di Modena e Reggio Emilia, Modena, Italy jUniversità di Genova, Genova, Italy kUniversità di Milano Bicocca, Milano, Italy lUniversità di Roma Tor Vergata, Roma, Italy mUniversità di Roma La Sapienza, Roma, Italy nUniversità della Basilicata, Potenza, Italy oAGH - University of Science and Technology, Faculty of Computer Science, Electronics and Telecommunications, Kraków, Poland pLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain qHanoi University of Science, Hanoi, Viet Nam rUniversità di Padova, Padova, Italy sUniversità di Pisa, Pisa, Italy tScuola Normale Superiore, Pisa, Italy uUniversità degli Studi di Milano, Milano, Italy ## 1 Introduction $C\\!P$ violation studies in the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}$ decay mode complement studies using $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ and improve the final accuracy in the $C\\!P$-violating phase, $\phi_{s}$, measurement [1]. While the $C\\!P$ content was previously shown to be more than 97.7% $C\\!P$-odd at 95% confidence level (CL), it is important to determine the size of any $C\\!P$-even components as these could ultimately affect the uncertainty on the final result for $\phi_{s}$. Since the $\pi^{+}\pi^{-}$ system can form light scalar mesons, such as the $f_{0}(500)$ and $f_{0}(980)$, we can investigate if these states have a quark-antiquark or tetraquark structure, and determine the mixing angle between these states [2]. The tree-level Feynman diagram for the process is shown in Fig. 1. Figure 1: Leading order diagram for $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ decays into $J/\psi\pi^{+}\pi^{-}$. We have previously studied the resonance structure in $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}$ decays using data corresponding to an integrated luminosity of 1 fb-1 [3].111 Charged conjugated modes are also used when appropriate. In this paper we use 3 fb-1 of luminosity, and also change the analysis technique substantially. Here the $\pi^{+}\pi^{-}$ mass, and all three decay angular distributions are used to determine the resonant and non- resonant components. Previously the angle between the decay planes of ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\rightarrow\mu+\mu^{-}$ and $\pi^{+}\pi^{-}$ in the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ rest frame, $\chi$, was integrated over. This simplified the analysis, but sacrificed some precision and also prohibited us from measuring separately the helicity $+1$ and $-1$ components of any $\pi^{+}\pi^{-}$ resonance, knowledge of which would permit us to evaluate the $C\\!P$ composition of resonances with spin greater than or equal to 1. Since one of the particles in the final state, the $J/\psi$, has spin-1 its three decay amplitudes must be considered, while the $\pi^{+}\pi^{-}$ system is described as the coherent sum of resonant and possibly non-resonant amplitudes. ## 2 Amplitude formula for $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}h^{+}h^{-}$ The decay of $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}h^{+}h^{-}$, where $h$ denotes a pseudoscalar meson, followed by $J/\psi\rightarrow\mu^{+}\mu^{-}$ can be described by four variables. We take the invariant mass of $h^{+}h^{-}$ ($m_{hh}$) and three helicity angles defined as (i) $\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}$, the angle between the $\mu^{+}$ direction in the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ rest frame with respect to the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ direction in the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ rest frame; (ii) $\theta_{hh}$, the angle between the $h^{+}$ direction in the $h^{+}h^{-}$ rest frame with respect to the $h^{+}h^{-}$ direction in the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ rest frame, and (iii) $\chi$, the angle between the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $h^{+}h^{-}$ decay planes in the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ rest frame. Figure 2 shows these angles pictorially222These definitions are the same for $B_{s}^{0}$ and $\overline{B}{}_{s}^{0}$, namely, $\mu^{+}$ and $h^{+}$ are used to define the angles in both cases.. In this paper $hh$ is equivalent to $\pi^{+}\pi^{-}$. Figure 2: Definition of helicity angles. For details see text. From the time-dependent decay rate of $\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{B}_{s}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}h^{+}h^{-}$ derived in Ref. [4], the time-integrated and flavor-averaged decay rate is proportional to the function $\displaystyle S(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)=$ $\displaystyle|A(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)|^{2}+|\overline{A}(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)|^{2}$ $\displaystyle-2{\cal D}\,\mathcal{R}e\left(\frac{q}{p}A^{*}(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)\overline{A}(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)\right),$ (1) where $\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{A}$, the amplitude of $\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{B}_{s}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}h^{+}h^{-}$ at proper time $t=0$, is a function of $m_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\theta_{hh},\chi$, and is summed over all resonant (and possibly non- resonant) components; $q$ and $p$ are complex parameters that describe the relation between mass and flavor eigenstates [5]. The interference term arises because we must sum the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ and $B^{0}_{s}$ amplitudes before squaring. Even when integrating over proper time, the terms proportional to $\sinh\left(\Delta\Gamma_{s}t/2\right)$ do not vanish because of the finite $\Delta\Gamma_{s}$ in the $B^{0}_{s}$ system, where $\Delta\Gamma_{s}$ is the width difference between the light and the heavy mass eigenstates. The factor $\cal D$ is ${\cal D}=\frac{\int_{0}^{\infty}{\varepsilon}(t)e^{-\Gamma_{s}t}\sinh\frac{\Delta\Gamma_{s}t}{2}{\rm d}t}{\int_{0}^{\infty}{\varepsilon}(t)e^{-\Gamma_{s}t}\cosh\frac{\Delta\Gamma_{s}t}{2}{\rm d}t},$ (2) where $\Gamma_{s}$ is the average $B^{0}_{s}$ decay width, and ${\varepsilon}(t)$ is the detection efficiency as a function of $t$. For a uniform efficiency, ${\cal D}=\Delta\Gamma_{s}/(2\Gamma_{s})$ and is $(6.2\pm 0.9)$% [6]. The amplitude, $A_{R}(m_{hh})$, is used to describe the mass line-shape of the resonance $R$, that in most cases is a Breit-Wigner function. It is combined with the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}$ resonance decay properties to form the expression ${\cal A}_{R}(m_{hh})=\sqrt{2J_{R}+1}\sqrt{P_{R}P_{B}}F_{B}^{(L_{B})}F_{R}^{(L_{R})}A_{R}(m_{hh})\left(\frac{P_{B}}{m_{B}}\right)^{L_{B}}\left(\frac{P_{R}}{m_{hh}}\right)^{L_{R}}.$ (3) Here $P_{B}$ is the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ momentum in the $\overline{B}^{0}_{s}$ rest frame, $P_{R}$ is the momentum of either of the two hadrons in the dihadron rest frame, $m_{B}$ is the $\overline{B}^{0}_{s}$ mass, $J_{R}$ is the spin of $R$, $L_{B}$ is the orbital angular momentum between the $J/\psi$ and $h^{+}h^{-}$ system, and $L_{R}$ the orbital angular momentum in the $h^{+}h^{-}$ decay, and thus is the same as the spin of the $h^{+}h^{-}$ resonance. $F_{B}^{(L_{B})}$ and $F_{R}^{(L_{R})}$ are the Blatt-Weisskopf barrier factors for the $\overline{B}^{0}_{s}$ and $R$ resonance, respectively [3]. The factor $\sqrt{P_{R}P_{B}}$ results from converting the phase space of the natural Dalitz-plot variables $m^{2}_{hh}$ and $m^{2}_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}h^{+}}$ to that of $m_{hh}$ and $\cos\theta_{hh}$ [7]. We must sum over all final states, $R$, so for each ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ helicity, denoted by $\lambda$, equal to $0$, $+1$, and $-1$ we have ${\cal\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{H}}_{\lambda}(m_{hh},\theta_{hh})=\sum_{R}\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\bf h}_{\lambda}^{R}{\cal A}_{R}(m_{hh})d_{-\lambda,0}^{J_{R}}(\theta_{hh}),$ (4) where $\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\bf h}_{\lambda}^{R}$ are the complex coefficients for each helicity amplitude and the Wigner $d$-functions are listed in Ref. [6]. The decay rates, $|\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{A}(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)|^{2}$, and the interference term, $A^{*}(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)\overline{A}(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)$, can be written as functions of ${\cal\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{H}}_{\lambda}(m_{hh},\theta_{hh})$, $\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}$ and $\chi$. These relationships are given in Ref. [4]. In order to use the $C\\!P$ relations, it is convenient to replace the helicity complex coefficients $\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{h}}_{\lambda}^{R}$ by the complex transversity coefficients $\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{a}}_{\tau}^{R}$ using the relations $\displaystyle\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{h}}_{0}^{R}$ $\displaystyle=$ $\displaystyle\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{a}}_{0}^{R},$ $\displaystyle\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{h}}_{+}^{R}$ $\displaystyle=$ $\displaystyle\frac{1}{\sqrt{2}}(\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{a}}_{\parallel}^{R}+\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{a}}_{\perp}^{R}),$ $\displaystyle\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{h}}_{-}^{R}$ $\displaystyle=$ $\displaystyle\frac{1}{\sqrt{2}}(\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{a}}_{\parallel}^{R}-\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{a}}_{\perp}^{R}).$ (5) Here $\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{a}}_{0}^{R}$ corresponds to longitudinal polarization of the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ meson, and the other two coefficients correspond to polarizations of the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ meson and $h^{+}h^{-}$ system transverse to the decay axis: $\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{a}}_{\parallel}^{R}$ for parallel polarization of the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $h^{+}h^{-}$, and $\accentset{\scalebox{0.4}{(}\raisebox{-1.7pt}{--}\scalebox{0.4}{)}}{\textbf{a}}_{\perp}^{R}$ for perpendicular polarization. Assuming no direct $C\\!P$ violation, as this has not been observed in $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ decays [1], the relation between the $\overline{B}^{0}_{s}$ and $B^{0}_{s}$ variables is $\bar{\textbf{a}}^{R}_{\tau}=\eta^{R}_{\tau}\textbf{a}^{R}_{\tau}$, where $\eta^{R}_{\tau}$ is $C\\!P$ eigenvalue of the $\tau$ transversity component for the intermediate state $R$, where $\tau$ denotes $0$, $\parallel$, or $\perp$ component. The final state $C\\!P$ parities for S, P, and D-waves are given in Table 1. Table 1: $C\\!P$ parity for different spin resonances. Note that spin-0 only has the transversity component $0$. Spin | $\eta_{0}$ | $\eta_{\parallel}$ | $\eta_{\perp}$ ---|---|---|--- 0 | $-1$ | – | – 1 | 1 | 1 | $-1$ 2 | $-1$ | $-1$ | 1 In this analysis a fit determines the amplitude strength $a_{\tau}^{R}$ and the phase $\phi_{\tau}^{R}$ of the amplitude $\textbf{a}^{R}_{\tau}=a_{\tau}^{R}e^{i\phi_{\tau}^{R}}$ (6) for each resonance $R$ and each transversity $\tau$. For the $\tau=\perp$ amplitude, the $L_{B}$ value of a spin-1 (or -2) resonance is 1 (or 2); the other transversity components have two possible $L_{B}$ values of 0 and 2 (or 1 and 3) for spin-1 (or -2) resonances. In this analysis the lower one is used. It is verified that our results are insensitive to the $L_{B}$ choices. ## 3 Data sample and detector The data sample corresponds to an integrated luminosity of $3\,{\rm fb}^{-1}$ collected with the LHCb detector [8] using $pp$ collisions. One-third of the data was acquired at a center-of-mass energy of 7$\mathrm{\,Te\kern-1.00006ptV}$, and the remainder at 8$\mathrm{\,Te\kern-1.00006ptV}$. The detector is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. The detector includes a high- precision tracking system consisting of a silicon-strip vertex detector surrounding the $pp$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes [9] placed downstream. The combined tracking system provides a momentum333We work in units where $c=1$. measurement with relative uncertainty that varies from 0.4% at 5$\mathrm{\,Ge\kern-1.00006ptV}$ to 0.6% at 100$\mathrm{\,Ge\kern-1.00006ptV}$, and impact parameter (IP) resolution of 20$\,\upmu\rm m$ for tracks with large transverse momentum ($p_{\rm T}$). Different types of charged hadrons are distinguished by information from two ring-imaging Cherenkov detectors (RICH) [10]. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating- pad and preshower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers [11]. The trigger consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage that applies a full event reconstruction [12]. Events selected for this analysis are triggered by a $J/\psi\rightarrow\mu^{+}\mu^{-}$ decay, where the $J/\psi$ is required at the software level to be consistent with coming from the decay of a $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ meson by use either of IP requirements or detachment of the $J/\psi$ from the primary vertex (PV). In the simulation, $pp$ collisions are generated using Pythia [13, *Sjostrand:2007gs] with a specific LHCb configuration [15]. Decays of hadronic particles are described by EvtGen [16], in which final state radiation is generated using Photos [17]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [18, *Agostinelli:2002hh] as described in Ref. [20]. ## 4 Event selection Preselection criteria are implemented to preserve a large fraction of the signal events, and are identical to those used in Ref. [21]. A $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}$ candidate is reconstructed by combining a ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\rightarrow\mu^{+}\mu^{-}$ candidate with two pions of opposite charge. To ensure good track reconstruction, each of the four particles in the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ candidate is required to have the track fit $\chi^{2}$/ndf to be less than 4, where ndf is the number of degrees of freedom of the fit. The ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\rightarrow\mu^{+}\mu^{-}$ candidate is formed by two identified muons of opposite charge, having $p_{\rm T}$ greater than 500 $\mathrm{\,Me\kern-1.00006ptV}$, and with a geometrical fit vertex $\chi^{2}$ less than 16. Only candidates with dimuon invariant mass between $-48$ $\mathrm{\,Me\kern-1.00006ptV}$ and $+43$ $\mathrm{\,Me\kern-1.00006ptV}$ from the observed ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mass peak are selected, and are then constrained to the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mass [6] for subsequent use. Pion candidates are required to each have $p_{\rm T}$ greater than 250 $\mathrm{\,Me\kern-1.00006ptV}$, and the sum, $\mbox{$p_{\rm T}$}(\pi^{+})+\mbox{$p_{\rm T}$}(\pi^{-})$ larger than 900 $\mathrm{\,Me\kern-1.00006ptV}$. Both pions must have $\chi^{2}_{\rm IP}$ greater than 9 to reject particles produced from the PV. The $\chi^{2}_{\rm IP}$ is computed as the difference between the $\chi^{2}$ of the PV reconstructed with and without the considered track. Both pions must also come from a common vertex with $\chi^{2}{\rm/ndf}<16$, and form a vertex with the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ with a $\chi^{2}$/ndf less than 10 (here ndf equals five). Pion candidates are identified using the RICH and muon systems. The particle identification makes use of the logarithm of the likelihood ratio comparing two particle hypotheses (DLL). For pion selection we require DLL$(\pi-K)>-10$ and DLL$(\pi-\mu)>-10$. The $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ candidate must have a flight distance of more than 1.5 $\rm\,mm$. The angle between the combined momentum vector of the decay products and the vector formed from the positions of the PV and the decay vertex (pointing angle) is required to be less than $2.5^{\circ}$. Events satisfying this preselection are then further filtered using a multivariate analyzer based on a boosted decision tree (BDT) technique [22]. The BDT uses eight variables that are chosen to provide separation between signal and background. These are the minimum of DLL($\mu-\pi$) of the $\mu^{+}$ and $\mu^{-}$, $\mbox{$p_{\rm T}$}(\pi^{+})+\mbox{$p_{\rm T}$}(\pi^{-})$, the minimum of $\chi^{2}_{\rm IP}$ of the $\pi^{+}$ and $\pi^{-}$, and the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ properties of vertex $\chi^{2}$, pointing angle, flight distance, $p_{\rm T}$ and $\chi^{2}_{\rm IP}$. The BDT is trained on a simulated sample of $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}$ signal events and a background data sample from the sideband $5566<m(J/\psi\pi^{+}\pi^{-})<5616$ $\mathrm{\,Me\kern-1.00006ptV}$. Then the BDT is tested on independent samples. The distributions of BDT classifier for signal and background samples are shown in Fig. 3. By maximizing the signal significance we set the requirement that the classifier is greater than zero, which has a signal efficiency of 95% and rejects 90% of the background. Figure 3: Distributions of the BDT classifier for both training and test samples of ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}$ signal and background events. The signal samples are from simulation and the background samples are from data. The invariant mass of the selected $J/\psi\pi^{+}\pi^{-}$ combinations is shown in Fig. 4. There is a large peak at the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mass and a smaller one at the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ mass on top of a background. A double Crystal Ball function with common means models the radiative tails and is used to fit each of the signals. The known $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}-\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ mass difference [6] is used to constrain the difference in mean values. Other components in the fit model take into account contributions from $B^{-}\rightarrow J/\psi K^{-}(\pi^{-})$, $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow J/\psi\eta^{\prime}$ with $\eta^{\prime}\rightarrow\rho^{0}\gamma$, $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow J/\psi\phi$ with $\phi\rightarrow\pi^{+}\pi^{-}\pi^{0}$ backgrounds and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow J/\psi K^{-}\pi^{+}$ and $\mathchar 28931\relax_{b}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{-}p$ reflections, where the $K^{-}$ in the former, and both $K^{-}$ and $p$ in the latter, are misidentified as pions. The shape of the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ signal is taken to be the same as that of the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$. The combinatorial background shape is taken from like-sign combinations that are the sum of $\pi^{+}\pi^{+}$ and $\pi^{-}\pi^{-}$ candidates, and was found to be well described by an exponential function in previous studies [3, 23]. The shapes of the other components are taken from simulation with their yields allowed to vary. The $\mathchar 28931\relax_{b}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{-}p$ reflection yield in the fit region is constrained to the expected number $2145\pm 201$, which is obtained from study of the events in the control region of $5066<m(J/\psi\pi^{+}\pi^{-})<5141$ $\mathrm{\,Me\kern-1.00006ptV}$. The mass fit gives $27396\pm 207$ signal and $7075\pm 101$ background candidates, leading to the signal fraction $f_{\rm sig}=(79.5\pm 0.2)\%$, within $\pm 20$ MeV of the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mass peak. The effective r.m.s. mass resolution is 9.9 MeV. Figure 4: Invariant mass of $J/\psi\pi^{+}\pi^{-}$ combinations. The data have been fitted with double Crystal Ball signal and several background functions. The (red) solid curve shows the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ signal, the (brown) dotted line shows the combinatorial background, the (green) short-dashed line shows the $B^{-}$ background, the (purple) dot-dashed curve is $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$, the (light blue) long-dashed line is the sum of $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow J/\psi\eta^{\prime}$, $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow J/\psi\phi$ with $\phi\rightarrow\pi^{+}\pi^{-}\pi^{0}$ backgrounds and the $\mathchar 28931\relax_{b}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{-}p$ reflection, the (black) dot-long dashed curve is the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow J/\psi K^{-}\pi^{+}$ reflection and the (blue) solid curve is the total. ## 5 Probability density function construction The correlated distributions of four variables $m_{hh}$, $\cos\theta_{hh}$, $\cos\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}$, and $\chi$ are fitted using the candidates within $\pm 20$ MeV of the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mass peak. To improve the resolution of these variables we perform a kinematic fit constraining the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ and $J/\psi$ masses to their world average mass values [6], and recompute the final state momenta. The overall PDF given by the sum of signal, $S$, and background functions is $\displaystyle F(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)$ $\displaystyle=$ $\displaystyle\frac{f_{\rm sig}}{{\cal{N}}_{\rm sig}}\varepsilon(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)S(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)$ (7) $\displaystyle+$ $\displaystyle(1-f_{\rm sig})B(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi),$ where $\varepsilon$ is the detection efficiency, and $B$ is the background PDF discussed later in Sec. 5.3. The normalization factor for signal is given by $\displaystyle{\cal{N}}_{\rm sig}$ $\displaystyle=$ $\displaystyle\int\\!\varepsilon(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)S(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)\,{\rm d}\,m_{hh}\,{\rm d}\cos\theta_{hh}\,{\rm d}\cos\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}\,{\rm d}\chi.$ (8) The signal function $S$ is defined in Eq. (2), where ${\cal D}=(8.7\pm 1.5)\%$, taking into account the acceptance [24], and choosing a phase convention $q/p=e^{-i\phi_{s}}$. The phase $\phi_{s}$ is fixed to the standard model value of $-0.04$ radians [25]. Our results are found to be insensitive to the value of $\phi_{s}$ used within the 95% CL limits set by the LHCb measurement [1]. ### 5.1 Data distributions of the Dalitz-plot The event distribution for $m^{2}(\pi^{+}\pi^{-})$ versus $m^{2}(J/\psi\pi^{+})$ in Fig. 5 shows clear structures in $m^{2}(\pi^{+}\pi^{-})$. The presence of possible exotic structures in the $J/\psi\pi^{+}$ system, as claimed in similar decays [26, 27], is investigated by examining the $J/\psi\pi^{+}$ mass distribution shown in Fig. 6 (a). No resonant effects are evident. Figure 6 (b) shows the $\pi^{+}\pi^{-}$ mass distribution. Apart from a large signal peak due to the $f_{0}(980)$, there are visible structures at about 1450 $\mathrm{\,Me\kern-1.00006ptV}$ and 1800 $\mathrm{\,Me\kern-1.00006ptV}$. Figure 5: Distribution of $m^{2}(\pi^{+}\pi^{-})$ versus $m^{2}(J/\psi\pi^{+})$ for all events within $\pm 20$ MeV of the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mass peak. Figure 6: Distributions of (a) $m(J/\psi\pi^{+})$ and (b) $m(\pi^{+}\pi^{-})$ for $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow J/\psi\pi^{+}\pi^{-}$ candidate decays within $\pm 20$ MeV of the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mass. The (red) points with error bars show the background contribution determined from $m(J/\psi\pi^{+}\pi^{-})$ fits performed in each bin of the plotted variables. ### 5.2 Detection efficiency The detection efficiency is determined from a phase space simulation sample containing $4\times 10^{6}$ $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow J/\psi\pi^{+}\pi^{-}$ events with $J/\psi\rightarrow\mu^{+}\mu^{-}$. The efficiency can be parameterized in terms of analysis variables as $\varepsilon(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)=\varepsilon_{1}(s_{12},s_{13})\times\varepsilon_{2}(m_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}})\times\varepsilon_{3}(m_{hh},\chi),$ (9) where $s_{12}\equiv m^{2}({{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}})$ and $s_{13}\equiv m^{2}({{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{-}})$ are functions of $(m_{hh},\theta_{hh})$; such parameter transformations in $\varepsilon_{1}$ are implemented in order to use the Dalitz-plot based efficiency model developed in previous publications [3, 21]. The efficiency functions take into account correlations between $m_{hh}$ and each of the three angles as determined by the simulation. The efficiency as a function of the angle $\chi$ is shown in Fig. 7. To simplify the normalization of the PDF, the efficiency as a function of $\chi$ is parameterized in 26 bins of $m^{2}_{hh}$ as $\varepsilon_{3}(m_{hh},\chi)=\frac{1}{2\pi}(1+p_{1}\cos\chi+p_{2}\cos 2\chi),$ (10) where $p_{1}=p_{1}^{0}+p_{1}^{1}m_{hh}^{2}$ and $p_{2}=p_{2}^{0}+p_{2}^{1}m_{hh}^{2}+p_{2}^{2}m_{hh}^{4}$. A fit to the simulation determines $p_{1}^{0}=0.0087\pm 0.0051$, $p_{1}^{1}=(-0.0062\pm 0.0019)$ GeV-2, $p_{2}^{0}=0.0030\pm 0.0077$, $p_{2}^{1}=(0.053\pm 0.007)$ GeV-2, and $p_{2}^{2}=(-0.0077\pm 0.0015)$ GeV-4. Figure 7: Distribution of the angle $\chi$ for the $J/\psi\pi^{+}\pi^{-}$ simulation sample fitted with Eq. (10), used to determine the efficiency parameters. The efficiency in $\cos\theta_{J/\psi}$ also depends on $m_{hh}$; we fit the $\cos\theta_{J/\psi}$ distributions of $J/\psi\pi^{+}\pi^{-}$ simulation sample with the function $\varepsilon_{2}(m_{hh},\theta_{J/\psi})=\frac{1+a(m^{2}_{hh})\cos^{2}\theta_{J/\psi}}{2+2a(m^{2}_{hh})/3},$ (11) giving 26 values of $a$ as a function of $m^{2}_{hh}$. The resulting distribution in $a$ is shown in Fig. 8 and is best described by a 2nd order polynomial function $a(m^{2}_{hh})=a_{0}+a_{1}m^{2}_{hh}+a_{2}m^{4}_{hh},$ (12) with $a_{0}=0.156\pm 0.020$, $a_{1}=(-0.091\pm 0.018)$ GeV-2 and $a_{2}=(0.013\pm 0.004)$ GeV-4. Figure 8: Second order polynomial fit to the acceptance parameter $a(m^{2}_{hh})$ used in Eq. 11. The function $\varepsilon_{1}(s_{12},s_{13})$ can be determined from the simulation after integrating over $\cos\theta_{J/\psi}$ and $\chi$, because the functions $\varepsilon_{2}$ and $\varepsilon_{3}$ are normalized in $\cos\theta_{J/\psi}$ and $\chi$, respectively. It is parameterized as a symmetric 5th order polynomial function given by $\displaystyle\varepsilon_{1}(s_{12},s_{13})$ $\displaystyle=$ $\displaystyle 1+\epsilon_{1}(x+y)+\epsilon_{2}(x+y)^{2}+\epsilon_{3}xy+\epsilon_{4}(x+y)^{3}+\epsilon_{5}xy(x+y)$ (13) $\displaystyle+\epsilon_{6}(x+y)^{4}+\epsilon_{7}xy(x+y)^{2}+\epsilon_{8}x^{2}y^{2}$ $\displaystyle+\epsilon_{9}(x+y)^{5}+\epsilon_{10}xy(x+y)^{3}+\epsilon_{11}x^{2}y^{2}(x+y),$ where $x=s_{12}/{\rm GeV}^{2}-18.9$, and $y=s_{13}/{\rm GeV}^{2}-18.9$. The phase space simulation is generated uniformly in the two-dimensional distribution of ($s_{12},s_{13})$, therefore the distribution of selected events reflects the efficiency and is fit to determine the efficiency parameters $\varepsilon_{i}$. The projections of the fit are shown in Fig. 9, giving the efficiency as a function of $\cos\theta_{\pi^{+}\pi^{-}}$ versus $m(\pi^{+}\pi^{-})$ in Fig. 10. Figure 9: Projections of invariant mass squared of (a) $m^{2}(J/\psi\pi^{+})$ and (b) $m^{2}(J/\psi\pi^{-})$ of the simulated Dalitz plot used to measure the efficiency parameters. The points represent the simulated event distributions and the curves the polynomial fit. Figure 10: Parameterization of the detection efficiency as a function of $\cos\theta_{\pi^{+}\pi^{-}}$ and $m(\pi^{+}\pi^{-})$. The scale is arbitrary. ### 5.3 Background composition The main background source is combinatorial and is taken from the like-sign combinations within $\pm 20$ MeV of the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mass peak. The like-sign combinations also contain the $B^{-}$ background which is peaked at $\cos\theta_{hh}=\pm 1$. The like-sign combinations cannot contain any $\rho^{0}$, which is measured to be 3.5% of the total background. To obtain the $\rho^{0}$ contribution, the background $m(\pi^{+}\pi^{-})$ distribution shown in Fig. 6 (b), found by fitting the $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-})$ distribution in bins of $m(\pi^{+}\pi^{-})$, is compared to $m(\pi^{\pm}\pi^{\pm})$ distribution from the like-sign combinations. In this way simulated $\rho^{0}$ background is added into the like-sign candidates. The background PDF $B$ is the sum of functions for $B^{-}$ ($B_{B^{-}}$) and for the other ($B_{\rm other}$), given by $B(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)=\frac{1-f_{B^{-}}}{{\cal N_{\rm other}}}B_{\rm other}(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)+\frac{f_{B^{-}}}{{\cal N}_{B^{-}}}B_{B^{-}}(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi),$ (14) where ${\cal N}_{\rm other}$ and ${\cal N}_{B^{-}}$ are normalization factors, and $f_{B^{-}}$ is the fraction of the $B^{-}$ background in the total background. The $J/\psi\pi^{+}\pi^{-}$ mass fit gives $f_{B^{-}}=(1.7\pm 0.2)\%$. The $B^{-}$ background is separated because its invariant mass is very close to the highest allowed limit, resulting in its $\cos\theta_{hh}$ distribution peaking at $\pm 1$. The function for the $B^{-}$ background is defined as $\displaystyle B_{B^{-}}(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)=$ $\displaystyle G(m_{hh};m_{0},\sigma_{m})\times G(|\cos\theta_{hh}|;1,\sigma_{\theta})$ $\displaystyle\times$ $\displaystyle\left(1-\cos^{2}\theta_{J/\psi}\right)\times(1+p_{b1}\cos\chi+p_{b2}\cos 2\chi),$ (15) where $G$ is the Gaussian function, and the parameters $m_{0}$, $\sigma_{m}$, $\sigma_{\theta}$, $p_{b1}$, and $p_{b2}$ are determined by the fit. The last term is the same function for $\chi$. The function for the other background is $B_{\rm other}(m_{hh},\theta_{hh},\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}},\chi)=m_{hh}B_{1}(m_{hh}^{2},\cos\theta_{hh})\times\left(1+\alpha\cos^{2}\theta_{J/\psi}\right)\times(1+p_{b1}\cos\chi+p_{b2}\cos 2\chi),$ (16) where the function $B_{1}(m_{hh}^{2},\cos\theta_{hh})=B_{2}(\zeta)\frac{p_{B}}{m_{B}}\times\frac{1+c_{1}q(\zeta)|\cos\theta_{hh}|+c_{2}p(\zeta)\cos^{2}\theta_{hh}}{2[1+c_{1}q(\zeta)/2+c_{2}p(\zeta)/3]}.$ (17) Here $\zeta\equiv 2(m_{hh}^{2}-m^{2}_{\rm min})/(m^{2}_{\rm max}-m^{2}_{\rm min})-1$, where $m_{\rm min}$ and $m_{\rm max}$ give the fit boundaries of $m_{hh}$, $B_{2}(\zeta)$ is a fifth-order Chebychev polynomial; $q(\zeta)$ and $p(\zeta)$ are both second-order Chebychev polynomials with the coefficients $c_{1}$ and $c_{2}$ being free parameters. In order to better approximate the real background in the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ signal region, the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{\pm}\pi^{\pm}$ candidates are kinematically constrained to the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mass, and $\mu^{+}\mu^{-}$ to the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mass. Figure 11: Distribution of $\cos\theta_{J/\psi}$ of the other background and the fitted function $1+\alpha\cos^{2}\theta_{J/\psi}$. The points with error bars show the background obtained from candidate mass fits in bins of $\cos\theta_{J/\psi}$. The second part $\left(1+\alpha\cos^{2}\theta_{J/\psi}\right)$ is a function of the $J/\psi$ helicity angle. The $\cos\theta_{J/\psi}$ distribution of background is shown in Fig. 11; fitting with the function determines the parameter $\alpha=-0.34\pm 0.03$. A fit to the like-sign combinations added with additional $\rho^{0}$ background determines the parameters describing the $m_{hh}$, $\theta_{hh}$, and $\chi$ distributions. Figures 12 and 13 show the projections of $\cos\theta_{hh}$ and $m_{hh}$, and of $\chi$ of the total background, respectively. Figure 12: Projections of (a) $\cos\theta_{\pi\pi}$ and (b) $m(\pi^{+}\pi^{-})$ of the total background. The (blue) histogram or curve is projection of the fit, and the points with error bars show the like-sign combinations added with additional $\rho^{0}$ background. Figure 13: Distribution of $\chi$ of the total background and the fitted function. The points with error bars show the like-sign combinations added with additional $\rho^{0}$ background. ## 6 Final state composition ### 6.1 Resonance models To study the resonant structures of the decay $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow J/\psi\pi^{+}\pi^{-}$ we use the 34 471 candidates with invariant mass lying within $\pm 20$ $\mathrm{\,Me\kern-1.00006ptV}$ of the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mass peak which include 7075$\pm$101 background events. The $\pi^{+}\pi^{-}$ resonance candidates that could contribute to $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow J/\psi\pi^{+}\pi^{-}$ decay are listed in Table 2. The resonances that decay into a $\pi^{+}\pi^{-}$ pair must be isoscalar ($I=0$), because the $s\bar{s}$ system forming the resonances in Fig. 1 has $I=0$. To test the isoscalar argument, the isospin-1 $\rho(770)$ meson is also added to the baseline fit. The non-resonance (NR) is assumed to be S-wave, its shape is defined by Eq. (3) where the amplitude function $A_{R}(m_{hh})$ is set to be equal to one, and the Blatt-Weisskopf barrier factors $F_{B}^{(1)}$ and $F_{R}^{(0)}$ are both set to one. In the previous analysis [24], we observed a resonant state at $(1475\pm 6)$$\mathrm{\,Me\kern-1.00006ptV}$ with a width of $(113\pm 11)$$\mathrm{\,Me\kern-1.00006ptV}$. We identified it with the $f_{0}(1370)$ though its mass and width values agreed neither with the $f_{0}(1500)$ or the $f_{0}(1370)$. W. Ochs [28, *Ochs:2013vxa] argues that the better assignment is $f_{0}(1500)$; we follow his suggestion. In addition, a structure is clearly visible in the $1800$ MeV region (see Fig. 6 (b)), which was not the case in our previous analysis [3]. This could be the $f_{0}(1790)$ resonance observed by BES [30] in ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\rightarrow\phi\pi^{+}\pi^{-}$ decays. From the measured ratios ${\cal B}\left(\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}f_{2}^{\prime}(1525)\right)/{\cal B}\left(\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi\right)$ [31] and ${\cal B}\left(\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}\right)/{\cal B}\left(\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi\right)$ [3], using the measured $\pi^{+}\pi^{-}$ and $K^{+}K^{-}$ branching fractions [6], the expected $f_{2}^{\prime}(1525)$ fit fraction for the transversity $0$ component is $(0.45\pm 0.13)\%$, and the ratio of helicity $\lambda=0$ to $|\lambda|=1$ components, which is equal to the ratio of transversity $0$ to the sum of $\perp$ and $\parallel$ components, is $1.9\pm 0.8$, where the uncertainties are dominated by that on $f_{2}^{\prime}(1525)$ fit fractions in $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ decays. This information is used as constraints in the fit. Table 2: Possible resonance candidates in the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow J/\psi\pi^{+}\pi^{-}$ decay mode and their parameters used in the fit. Resonance | Spin | Helicity | Resonance | Mass ($\mathrm{\,Me\kern-1.00006ptV}$) | Width ($\mathrm{\,Me\kern-1.00006ptV}$) | Source ---|---|---|---|---|---|--- | | | formalism | | | $f_{0}(500)$ | 0 | 0 | BW | $471\pm 21$ | $534\pm 53$ | LHCb [21] $f_{0}(980)$ | 0 | 0 | Flatté | see text $f_{2}(1270)$ | 2 | $0,\pm 1$ | BW | $1275.1\pm 1.2$ | $185.1^{+2.9}_{-2.4}$ | PDG [6] $f_{0}(1500)$ | 0 | 0 | BW | see text $f_{2}^{\prime}(1525)$ | 2 | $0,\pm 1$ | BW | $1522_{-3}^{+6}$ | $84_{-8}^{+12}$ | LHCb [31] $f_{0}(1710)$ | 0 | 0 | BW | $1720\pm 6$ | $135\pm 8$ | PDG [6] $f_{0}(1790)$ | 0 | 0 | BW | $1790_{-30}^{+40}$ | $270_{-30}^{+60}$ | BES [30] $\rho(770)$ | 1 | $0,\pm 1$ | BW | $775.49\pm 0.34$ | $149.1\pm 0.8$ | PDG [6] The masses and widths of the resonances are also listed in Table 2. When used in the fit they are fixed to these central values, except for the parameters of $f_{0}(980)$ and $f_{0}(1500)$ that are determined by the fit. In addition, the parameters of $f_{0}(1790)$ are constrained to those determined by the BES measurement [30]. As suggested by D. V. Bugg [32], the Flatté model [33] for $f_{0}(980)$ is slightly modified, and is parameterized as $A_{R}(m_{\pi^{+}\pi^{-}})=\frac{1}{m_{R}^{2}-m^{2}_{\pi^{+}\pi^{-}}-im_{R}(g_{\pi\pi}\rho_{\pi\pi}+g_{KK}F_{KK}^{2}\rho_{KK})},$ (18) where $m_{R}$ is the $f_{0}(980)$ pole mass, the parameters $g_{\pi\pi}$ and $g_{KK}$ are the $f_{0}(980)$ coupling constants to $\pi^{+}\pi^{-}$ and $K^{+}K^{-}$ final states, respectively, and the phase space $\rho$ factors are given by Lorentz-invariant phase spaces as $\displaystyle\rho_{\pi\pi}$ $\displaystyle=$ $\displaystyle\frac{2}{3}\sqrt{1-\frac{4m^{2}_{\pi^{\pm}}}{m^{2}_{\pi^{+}\pi^{-}}}}+\frac{1}{3}\sqrt{1-\frac{4m^{2}_{\pi^{0}}}{m^{2}_{\pi^{+}\pi^{-}}}},$ (19) $\displaystyle\rho_{KK}$ $\displaystyle=$ $\displaystyle\frac{1}{2}\sqrt{1-\frac{4m^{2}_{K^{\pm}}}{m^{2}_{\pi^{+}\pi^{-}}}}+\frac{1}{2}\sqrt{1-\frac{4m^{2}_{K^{0}}}{m^{2}_{\pi^{+}\pi^{-}}}}.$ (20) Compared to the normal Flatté function, a form factor $F_{KK}=\exp(-\alpha k^{2})$ is introduced above the $KK$ threshold and serves to reduce the $\rho_{KK}$ factor as $m^{2}_{\pi^{+}\pi^{-}}$ increases, where $k$ is momentum of each kaon in the $KK$ rest frame, and $\alpha=(2.0\pm 0.25)$ GeV-2 [32]. This parameterization slightly decreases the $f_{0}(980)$ width above the $KK$ threshold. The parameter $\alpha$ is fixed to $2.0$ GeV-2 as it is not very sensitive to the fit. To determine the complex amplitudes in a specific model, the data are fitted maximizing the unbinned likelihood given as $\mathcal{L}=\prod_{i=1}^{N}F(m_{hh}^{i},\theta_{hh}^{i},\theta^{i}_{J/\psi},\chi^{i}),$ (21) where $N$ is the total number of candidates, and $F$ is the total PDF defined in Eq. (7). In order to converge properly in a maximum likelihood method, the PDFs of the signal and background need to be normalized. This is accomplished by first normalizing the $\chi$ and $\cos\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}$ dependent parts analytically, and then normalizing the $m_{hh}$ and $\cos\theta_{hh}$ dependent parts using a numerical integration over 1000$\times$200 bins. The fit determines amplitude magnitudes $a_{i}^{R_{i}}$ and phases $\phi_{i}^{R_{i}}$ defined in Eq. (6). The $a^{f_{0}(980)}_{0}$ amplitude is fixed to 1, since the overall normalization is related to the signal yield. As only relative phases are physically meaningful, $\phi_{0}^{f_{0}(980)}$ is fixed to 0. In addition, due to the averaging of $B^{0}_{s}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$, the interference terms between opposite $C\\!P$ states are cancelled out, making it not possible to measure the relative phase between $C\\!P$-even and odd states here, so one $C\\!P$-even phase, $\phi_{\perp}^{f_{2}(1270)}$, is also fixed to 0. ### 6.2 Fit fraction Knowledge of the contribution of each component can be expressed by defining a fit fraction for each transversity $\tau$, ${\cal{F}}_{\tau}^{R}$, which is the squared amplitude of $R$ integrated over the phase space divided by the entire amplitude squared over the same area. To determine ${\cal{F}}_{\tau}^{R}$ one needs to integrate over all the four fitted observables in the analysis. The interference terms between different helicity components vanish, after integrating over the two variables of $\cos\theta_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}$ and $\chi$. Thus we define the transversity fit fraction as ${\cal{F}}^{R}_{\tau}=\frac{\int\left|a^{R}_{\tau}e^{i\phi^{R}_{\tau}}{\cal A}_{R}(m_{hh})d_{\lambda,0}^{J_{R}}(\theta_{hh})\right|^{2}{\rm d}m_{hh}\;{\rm d}\cos\theta_{hh}}{\int\left(|{\cal{H}}_{0}(m_{hh},\theta_{hh})|^{2}+|{\cal{H}}_{+}(m_{hh},\theta_{hh})|^{2}+|{\cal{H}}_{-}(m_{hh},\theta_{hh})|^{2}\right){\rm d}m_{hh}\;{\rm d}\cos\theta_{hh}},$ (22) where $\lambda=0$ in the $d$-function for $\tau=0$, and $\lambda=1$ for $\tau=\perp$ or $\parallel$. Note that the sum of the fit fractions is not necessarily unity due to the potential presence of interference between two resonances. Interference term fractions are given by ${\cal{F}}_{\tau}^{RR^{\prime}}=2\mathcal{R}e\left(\frac{\int a^{R}_{\tau}\;a^{R^{\prime}}_{\tau}e^{i(\phi^{R}_{\tau}-\phi^{R^{\prime}}_{\tau})}{\cal A}_{R}(m_{hh}){\cal A}^{*}_{R^{\prime}}(m_{hh})d_{\lambda,0}^{J_{R}}(\theta_{hh})d_{\lambda,0}^{J_{R^{\prime}}}(\theta_{hh}){\rm d}m_{hh}\;{\rm d}\cos\theta_{hh}}{\int\left(|{\cal{H}}_{0}(m_{hh},\theta_{hh})|^{2}+|{\cal{H}}_{+}(m_{hh},\theta_{hh})|^{2}+|{\cal{H}}_{-}(m_{hh},\theta_{hh})|^{2}\right){\rm d}m_{hh}\;{\rm d}\cos\theta_{hh}}\right),$ (23) and $\sum_{R,\tau}{\cal{F}}_{\tau}^{R}+\sum^{R>R^{\prime}}_{RR^{\prime},\tau}{\cal{F}}_{\tau}^{RR^{\prime}}=1.$ (24) Interference between different spin-$J$ states vanishes, when integrated over angle, because the $d^{J}_{\lambda 0}$ angular functions are orthogonal. ### 6.3 Fit results In order to compare the different models quantitatively, an estimate of the goodness of fit is calculated from four-dimensional (4D) partitions of the four variables, $m(\pi^{+}\pi^{-})$, $\cos\theta_{hh}$, $\cos\theta_{J/\psi}$ and $\chi$. We use the Poisson likelihood $\chi^{2}$ [34] defined as $\chi^{2}=2\sum_{i=1}^{N_{\rm bin}}\left[x_{i}-n_{i}+n_{i}\text{ln}\left(\frac{n_{i}}{x_{i}}\right)\right],$ (25) where $n_{i}$ is the number of events in the four-dimensional bin $i$ and $x_{i}$ is the expected number of events in that bin according to the fitted likelihood function. A total of 1845 bins are used to calculate the $\chi^{2}$, where $41(m_{hh})\times 5(\cos\theta_{hh})\times 3(\cos\theta_{J/\psi})\times 3(\chi)$ equal size bins are used, and $m_{hh}$ is required to be between 0.25 and 2.30 GeV. The $\chi^{2}/\text{ndf}$, and the negative of the logarithm of the likelihood, $\rm-ln\mathcal{L}$, of the fits are given in Table 3, where ndf is the number of degree of freedom given as 1845 subtracted by number of fitting parameters and 1. The nomenclature describing the models gives the base model first and then “+” for any additions. The 5R model contains the resonances $f_{0}(980)$, $f_{2}(1270)$, $f_{2}^{\prime}(1525)$, $f_{0}(1500)$, and $f_{0}(1790)$. If adding NR to 5R model, two minima with similar likelihoods are found. One minimum is consistent with the 5R results and has NR fit fraction of $(0.3\pm 0.3)\%$; we group any fit models that are consistent with this 5R fit into the “Solution I” category. Another minimum has significant NR fit fraction of $(5.9\pm 1.4)\%$, this model and other consistent models are classified in the “Solution II” category. Table 3: Fit $\rm-ln\mathcal{L}$ and $\chi^{2}/\text{ndf}$ of different resonance models. Resonance model | $\rm-ln\mathcal{L}$ | $\chi^{2}/\text{ndf}$ ---|---|--- 5R (Solution I) | $-93738$ | 2005/1822 = 1.100 5R+NR (Solution I) | $-93741$ | 2003/1820 = 1.101 5R+$f_{0}(500)$ (Solution I) | $-93741$ | 2004/1820 = 1.101 5R+$f_{0}(1710)$ (Solution I) | $-93744$ | 1998/1820 = 1.098 5R+$\rho(770)$ (Solution I) | $-93742$ | 2004/1816 = 1.104 5R+NR (Solution II) | $-93739$ | 2008/1820 = 1.103 5R+NR+$f_{0}(500)$ (Solution II) | $-93741$ | 2004/1818 = 1.102 5R+NR+$f_{0}(1710)$ (Solution II) | $-93745$ | 2004/1818 = 1.102 5R+NR+$\rho(770)$ (Solution II) | $-93746$ | 1998/1814 = 1.101 Among these resonance models, we select the baseline model by requiring each resonance in the model to have more than 3 standard deviation ($\sigma$) significance evaluated by the fit fraction divided by its uncertainty. The baseline fits are 5R in Solution I and 5R+NR in Solution II. No additional components are significant when added to these baseline fits. Unfortunately, we cannot distinguish between these two solutions and will quote results for both of them. In both cases the dominant contribution is S-wave including $f_{0}(980)$, $f_{0}(1500)$ and $f_{0}(1790)$. The D-wave, $f_{2}(1270)$ and $f_{2}^{\prime}(1525)$, is only 2.3% for both solutions. Table 4: Fit fractions (%) of contributing components for both solutions. Component | Solution I | Solution II ---|---|--- $f_{0}(980)$ | $70.3\pm 1.5_{-5.1}^{+0.4}$ | $92.4\pm 2.0_{-16.0}^{+~{}0.8}$ $f_{0}(1500)$ | $10.1\pm 0.8_{-0.3}^{+1.1}$ | $9.1\pm 0.9\pm 0.3$ $f_{0}(1790)$ | $2.4\pm 0.4_{-0.2}^{+5.0}$ | $0.9\pm 0.3_{-0.1}^{+2.5}$ $f_{2}(1270)_{0}$ | $0.36\pm 0.07\pm 0.03$ | $0.42\pm 0.07\pm 0.04$ $f_{2}(1270)_{\|}$ | $0.52\pm 0.15_{-0.02}^{+0.05}$ | $0.42\pm 0.13_{-0.02}^{+0.11}$ $f_{2}(1270)_{\perp}$ | $0.63\pm 0.34_{-0.08}^{+0.16}$ | $0.60\pm 0.36_{-0.09}^{+0.12}$ $f_{2}^{\prime}(1525)_{0}$ | $0.51\pm 0.09_{-0.04}^{+0.05}$ | $0.52\pm 0.09_{-0.04}^{+0.05}$ $f_{2}^{\prime}(1525)_{\|}$ | $0.06_{-0.04}^{+0.13}\pm 0.01$ | $0.11_{-0.07-0.04}^{+0.16+0.03}$ $f_{2}^{\prime}(1525)_{\perp}$ | $0.26\pm 0.18_{-0.04}^{+0.06}$ | $0.26\pm 0.22_{-0.05}^{+0.06}$ NR | - | $5.9\pm 1.4_{-4.6}^{+0.7}$ Sum | 85.2 | 110.6 $\rm-ln\mathcal{L}$ | $-93738$ | $-93739$ $\chi^{2}/\text{ndf}$ | 2005/1822 | $2008/1820$ Table 4 shows the fit fractions from the baseline fits of two solutions, where systematic uncertainties are included; they will be discussed in Sec. 7. Figures 14 and 15 show the fit projections of $m(\pi^{+}\pi^{-})$, $\cos\theta_{\pi\pi}$, $\cos\theta_{J/\psi}$ and $\chi$ from 5R Solution I and 5R+NR Solution II, respectively. Also shown in Figs. 16 and 17 are the contributions of each resonance as a function of $m(\pi^{+}\pi^{-})$ from the baseline Solution I and II fits, respectively. Table 5 shows the fit fractions of the interference terms defined in Eq. (23). In addition, the phases are listed in Table 6. The other fit results are listed in Table 7 including the $f_{0}(980)$ mass, the Flatté function parameters $g_{\pi\pi}$, $g_{KK}/g_{\pi\pi}$, and masses and widths of $f_{0}(1500)$ and $f_{0}(1790)$ resonances. Figure 14: Projections of (a) $m(\pi^{+}\pi^{-})$, (b) $\cos\theta_{\pi\pi}$, (c) $\cos\theta_{J/\psi}$ and (d) $\chi$ for 5R Solution I. The points with error bars are data, the signal fit is shown with a (red) dashed line, the background with a (black) dotted line, and the (blue) solid line represents the total. Figure 15: Projections of (a) $m(\pi^{+}\pi^{-})$, (b) $\cos\theta_{\pi\pi}$, (c) $\cos\theta_{J/\psi}$ and (d) $\chi$ for 5R+NR Solution II. The points with error bars are data, the signal fit is shown with a (red) dashed line, the background with a (black) dotted line, and the (blue) solid line represents the total. Figure 16: Distribution of $m(\pi^{+}\pi^{-})$ with contributing components labeled from 5R Solution I. Figure 17: Distribution of $m(\pi^{+}\pi^{-})$ with contributing components labeled from 5R+NR Solution II. Table 5: Non-zero interference fraction (%) for both solutions. Components | Solution I | Solution II ---|---|--- $f_{0}(980)$+$f_{0}(1500)$ | 9.50 | $-1.57$ $f_{0}(980)$+$f_{0}(1790)$ | 7.93 | 5.30 $f_{0}(1500)$+$f_{0}(1790)$ | $-2.69$ | $-2.26$ $f_{2}(1270)_{0}$+$f_{2}^{\prime}(1525)_{0}$ | 0.14 | 0.09 $f_{2}(1270)_{\|}$+$f_{2}^{\prime}(1525)_{\|}$ | $-0.09$ | $-0.16$ $f_{2}(1270)_{\perp}$+$f_{2}^{\prime}(1525)_{\perp}$ | 0.03 | 0.05 $f_{0}(980)$+NR | - | $-16.41$ $f_{0}(1500)$+NR | - | 5.26 $f_{0}(1790)$+NR | - | $-0.95$ Table 6: Fitted resonance phase differences (∘). Resonance | Solution I | Solution II ---|---|--- $f_{0}(1500)-f_{0}(980)$ | $138\pm 4$ | $177\pm 6$ $f_{0}(1790)-f_{0}(980)$ | $78\pm 9$ | $95\pm 16$ $f_{2}(1270)_{0}-f_{0}(980)$ | $96\pm 7$ | $123\pm 8$ $f_{2}(1270)_{\|}-f_{0}(980)$ | $-90\pm 11$ | $-84\pm 13$ $f_{2}^{\prime}(1525)_{0}-f_{0}(980)$ | $-132\pm 6$ | $-97\pm 7$ $f_{2}^{\prime}(1525)_{\|}-f_{0}(980)$ | $103\pm 29$ | $130\pm 20$ NR $-f_{0}(980)$ | - | $-104\pm 5$ $f_{2}^{\prime}(1525)_{\perp}-f_{2}(1270)_{\perp}$ | $149\pm 46$ | $145\pm 51$ Table 7: Other fit parameters. The uncertainties are only statistical. Parameter | Solution I | Solution II ---|---|--- $m_{f_{0}(980)}$ ($\mathrm{\,Me\kern-1.00006ptV}$) | $945.4\pm 2.2$ | $949.9\pm 2.1$ $g_{\pi\pi}$ ($\mathrm{\,Me\kern-1.00006ptV}$) | $167\pm 7$ | $167\pm 8$ $g_{KK}/g_{\pi\pi}$ | $3.47\pm 0.12$ | $3.05\pm 0.13$ $m_{f_{0}(1500)}$ ($\mathrm{\,Me\kern-1.00006ptV}$) | $1460.9\pm 2.9$ | $1465.9\pm 3.1$ $\Gamma_{f_{0}(1500)}$ ($\mathrm{\,Me\kern-1.00006ptV}$) | $124\pm 7$ | $115\pm 7$ $m_{f_{0}(1790)}$ ($\mathrm{\,Me\kern-1.00006ptV}$) | $1814\pm 18$ | $1809\pm 22$ $\Gamma_{f_{0}(1790)}$ ($\mathrm{\,Me\kern-1.00006ptV}$) | $328\pm 34$ | $263\pm 30$ In both solutions the $f_{0}(500)$ state does not have a significant fit fraction. We set an upper limit for the fit fraction ratio between $f_{0}(500)$ and $f_{0}(980)$ of 0.3% from Solution I and 3.4% from Solution II, both at 90% CL. A similar situation is found for the $\rho(770)$ state. When including it in the fit, the fit fraction of $\rho(770)$ is measured to be $(0.60\pm 0.30^{+0.08}_{-0.14})\%$ in Solution I and $(1.02\pm 0.36^{+0.09}_{-0.15})\%$ from Solution II. The largest upper limit is obtained by Solution II, where the $\rho(770)$ fit fraction is less than 1.7% at 90% CL. Our previous study [3] did not consider the $f_{0}(1790)$ resonance, instead the NR component filled in the higher mass region near $1800$ MeV. It is found that including $f_{0}(1790)$ improves the fit significantly in both solutions. Inclusion of this state reduces $\rm-2ln\mathcal{L}$ by 276 (97) units and $\chi^{2}$ by 213 (91) units with 4 additional ndf, corresponding to 14 (9) $\sigma$ Gaussian significance, in Solution I(II), where the numbers are statistical only. When floating the parameters of $f_{0}(1790)$ resonance in the fits, we find its mass $m_{f_{0}(1790)}=1815\pm 23$$\mathrm{\,Me\kern-1.00006ptV}$ and width $\Gamma_{f_{0}(1790)}=353\pm 48$$\mathrm{\,Me\kern-1.00006ptV}$ in Solution I, and $m_{f_{0}(1790)}=1793\pm 26$$\mathrm{\,Me\kern-1.00006ptV}$ and $\Gamma_{f_{0}(1790)}=180\pm 83$$\mathrm{\,Me\kern-1.00006ptV}$ in Solution II, where the uncertainties are statistical only. The values in both solutions are consistent with the BES results $m_{f_{0}(1790)}=1790_{-30}^{+40}$$\mathrm{\,Me\kern-1.00006ptV}$ and $\Gamma_{f_{0}(1790)}=270_{-30}^{+60}$$\mathrm{\,Me\kern-1.00006ptV}$ [30] at the level of $1\sigma$. Figure 18 compares the total S-wave amplitude strength and phase as a function of $m(\pi^{+}\pi^{-})$ between the two solutions, showing consistent amplitude strength but distinct phase. The total S-wave amplitude is calculated as Eq. (4) summing over all spin-0 component $R$ with $\lambda=0$, where the $d$-function is equal to 1. The amplitude strength can be well measured from the $m(\pi^{+}\pi^{-})$ distribution, but this is not the case for the phase, which is determined from the interference with the small fraction of higher spin resonances. Figure 18: S-wave (a) amplitude strength and (b) phase as a function of $m(\pi^{+}\pi^{-})$ from the 5R Solution I (open) and 5R+NR Solution II (solid), where the widths of the curves reflect $\pm 1\sigma$ statistical uncertainties. The reference point is chosen at 980 MeV with amplitude strength equal to 1 and phase equal to 0. ### 6.4 Angular moments We define the moments of the cosine of the helicity angle $\theta_{\pi\pi}$, $\langle Y^{0}_{l}(\cos\theta_{\pi\pi})\rangle$ as the efficiency corrected and background subtracted $\pi^{+}\pi^{-}$ invariant mass distributions, weighted by spherical harmonic functions. The moment distributions provide an additional way of visualizing the presence of different resonances and their interferences, similar to a partial wave analysis. Figures 19 and 20 show the distributions of the angular moments for 5R Solution I and 5R+NR Solution II, respectively. In general the interpretation of these moments [3] is that $\langle Y^{0}_{0}\rangle$ is the efficiency corrected and background subtracted event distribution, $\langle Y^{0}_{1}\rangle$ the interference of the sum of S-wave and P-wave and P-wave and D-wave amplitudes, $\langle Y^{0}_{2}\rangle$ the sum of the P-wave, D-wave and the interference of S-wave and D-wave amplitudes, $\langle Y^{0}_{3}\rangle$ the interference between P-wave and D-wave, $\langle Y^{0}_{4}\rangle$ the D-wave, and $\langle Y^{0}_{5}\rangle$ the F-wave. The values of $\langle Y^{0}_{1}\rangle$ and $\langle Y^{0}_{3}\rangle$ are almost zero because the opposite contributions from $B^{0}_{s}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ decays are summed. Note, in this analysis the P-wave contributions are zero so the above description simplifies somewhat. The $f_{2}(1270)$ and $f_{2}^{\prime}(1525)$ interference with S-waves are clearly shown in the $\langle Y^{0}_{2}\rangle$ plot (see Figs. 19 (c) and 20 (c)). Figure 19: The $\pi^{+}\pi^{-}$ mass dependence of the spherical harmonic moments of $\cos\theta_{\pi\pi}$ after efficiency corrections and background subtraction: (a) $\langle Y^{0}_{0}\rangle$ ($\chi^{2}$/ndf =78/70), (b) $\langle Y^{0}_{1}\rangle$ ($\chi^{2}$/ndf =37/70), (c) $\langle Y^{0}_{2}\rangle$ ($\chi^{2}$/ndf =79/70), (d) $\langle Y^{0}_{3}\rangle$ ($\chi^{2}$/ndf =42/70), (e) $\langle Y^{0}_{4}\rangle$ ($\chi^{2}$/ndf =43/70), (f) $\langle Y^{0}_{5}\rangle$ ($\chi^{2}$/ndf =35/70). The points with error bars are the data points and the solid curves are derived from the model 5R Solution I. Figure 20: The $\pi^{+}\pi^{-}$ mass dependence of the spherical harmonic moments of $\cos\theta_{\pi\pi}$ after efficiency corrections and background subtraction: (a) $\langle Y^{0}_{0}\rangle$ ($\chi^{2}$/ndf =73/70), (b) $\langle Y^{0}_{1}\rangle$ ($\chi^{2}$/ndf =36/70), (c) $\langle Y^{0}_{2}\rangle$ ($\chi^{2}$/ndf =72/70), (d) $\langle Y^{0}_{3}\rangle$ ($\chi^{2}$/ndf =43/70), (e) $\langle Y^{0}_{4}\rangle$ ($\chi^{2}$/ndf =41/70), (f) $\langle Y^{0}_{5}\rangle$ ($\chi^{2}$/ndf =34/70). The points with error bars are the data points and the solid curves are derived from the model 5R+NR Solution II. ## 7 Systematic uncertainties The sources of the systematic uncertainties on the results of the amplitude analysis are summarized in Table 8 for Solution I and Table 9 for Solution II. The contributions to the systematic error due to $\phi_{s}$, the function $\varepsilon(t)$, $\Gamma_{s}$ and $\Delta\Gamma_{s}$[6] uncertainties, and $L_{B}$ choices for transversity 0 and $\|$ of spin $\geq 1$ resonances, are negligible. The systematic errors associated to the acceptance or background modeling are estimated by repeating the fit to the data 100 times. In each fit the parameters in the acceptance or background function are randomly generated according to the corresponding error matrix. The uncertainties due to the fit model include possible contributions from each resonance listed in Table 2 but not used in the baseline fit models, varying the hadron scale $r$ parameters in the Blatt-Weisskopf barrier factors for the $B$ meson and $R$ resonance from 5.0 GeV-1 and 1.5 GeV-1, respectively, to both 3.0 GeV-1, and using $F_{KK}=1$ in the Flatté function. Compared to the nominal Flatté function, the new one improves the likelihood fit $\rm-2ln\mathcal{L}$ by 6.8 and 14.0 units for Solution I and Solution II, respectively. The largest variation among those changes is assigned as the systematic uncertainties for modeling. Finally, we repeat the data fit by varying the mass and width of resonances within their errors one at a time, and add the changes in quadrature. To assign a systematic uncertainty from the possible presence of the $f_{0}(500)$ or $\rho(770)$, we repeat the above procedures using the model that has the baseline resonances plus $f_{0}(500)$ or $\rho(770)$. Table 8: Absolute systematic uncertainties for Solution I. Item | Acceptance | Background | Fit model | Resonance parameters | Total ---|---|---|---|---|--- Fit fractions (%) $f_{0}(980)$ | $\pm 0.17$ | $\pm 0.36$ | ${}_{-5.04}^{+0.00}$ | $\pm 0.03$ | ${}_{-5.1}^{+0.4}$ $f_{0}(1500)$ | $\pm 0.06$ | $\pm 0.14$ | ${}_{-0.29}^{+1.11}$ | $\pm 0.02$ | ${}_{-0.3}^{+1.1}$ $f_{0}(1790)$ | $\pm 0.02$ | $\pm 0.11$ | ${}_{-0.11}^{+4.98}$ | $\pm 0.01$ | ${}_{-0.2}^{+5.0}$ $f_{2}(1270)_{0}$ | $\pm 0.03$ | $\pm 0.01$ | $\pm 0.01$ | $\pm 0.01$ | $\pm 0.03$ $f_{2}(1270)_{\|}$ | $\pm 0.007$ | $\pm 0.009$ | ${}_{-0.020}^{+0.050}$ | $\pm 0.004$ | ${}_{-0.02}^{+0.05}$ $f_{2}(1270)_{\perp}$ | $\pm 0.04$ | $\pm 0.05$ | ${}_{-0.04}^{+0.14}$ | $\pm 0.03$ | ${}_{-0.08}^{+0.16}$ $f_{2}^{\prime}(1525)_{0}$ | $\pm 0.007$ | $\pm 0.012$ | ${}_{-0.000}^{+0.030}$ | $\pm 0.03$ | ${}_{-0.04}^{+0.05}$ $f_{2}^{\prime}(1525)_{\|}$ | $\pm 0.003$ | $\pm 0.004$ | ${}_{-0.020}^{+0.000}$ | $\pm 0.004$ | ${}_{-0.02}^{+0.05}$ $f_{2}^{\prime}(1525)_{\perp}$ | $\pm 0.007$ | $\pm 0.016$ | ${}_{-0.01}^{+0.04}$ | $\pm 0.04$ | ${}^{+0.06}_{-0.04}$ Other fraction (%) $f_{0}(500)/f_{0}(980)$ | $\pm 0.005$ | $\pm$0.051 | ${}^{+0.150}_{-0.020}$ | $\pm$0.017 | ${}_{-0.06}^{+0.16}$ $\rho(770)$ | $\pm 0.013$ | $\pm 0.065$ | ${}^{+0.040}_{-0.120}$ | $\pm 0.013$ | ${}_{-0.14}^{+0.08}$ $C\\!P$-even | $\pm 0.04$ | $\pm 0.06$ | ${}^{+0.59}_{-0.05}$ | $\pm 0.05$ | ${}^{+0.59}_{-0.10}$ Table 9: Absolute systematic uncertainties for Solution II. Item | Acceptance | Background | Fit model | Resonance parameters | Total ---|---|---|---|---|--- Fit fractions (%) $f_{0}(980)$ | $\pm 0.12$ | $\pm 0.79$ | ${}_{-15.97}^{+~{}0.00}$ | $\pm 0.00$ | ${}_{-16.0}^{+~{}0.8}$ $f_{0}(1500)$ | $\pm 0.05$ | $\pm 0.15$ | $\pm 0.27$ | $\pm 0.07$ | $\pm 0.3$ $f_{0}(1790)$ | $\pm 0.02$ | $\pm 0.09$ | ${}_{-0.10}^{+2.46}$ | $\pm 0.01$ | ${}_{-0.1}^{+2.5}$ $f_{2}(1270)_{0}$ | $\pm 0.02$ | $\pm 0.01$ | ${}_{-0.03}^{+0.02}$ | $\pm 0.02$ | $\pm 0.04$ $f_{2}(1270)_{\|}$ | $\pm 0.005$ | $\pm 0.009$ | ${}_{-0.010}^{+0.110}$ | $\pm 0.020$ | ${}_{-0.02}^{+0.11}$ $f_{2}(1270)_{\perp}$ | $\pm 0.04$ | $\pm 0.05$ | ${}_{-0.05}^{+0.10}$ | $\pm 0.03$ | ${}_{-0.09}^{+0.12}$ $f_{2}^{\prime}(1525)_{0}$ | $\pm 0.006$ | $\pm 0.012$ | ${}_{-0.010}^{+0.03}$ | $\pm 0.031$ | ${}_{-0.04}^{+0.05}$ $f_{2}^{\prime}(1525)_{\|}$ | $\pm 0.004$ | $\pm 0.008$ | ${}_{-0.040}^{+0.030}$ | $\pm 0.008$ | ${}_{-0.04}^{+0.03}$ $f_{2}^{\prime}(1525)_{\perp}$ | $\pm 0.01$ | $\pm 0.02$ | ${}_{-0.00}^{+0.03}$ | $\pm 0.05$ | ${}^{+0.06}_{-0.05}$ NR | $\pm 0.07$ | $\pm 0.63$ | ${}_{-4.52}^{+0.34}$ | $\pm 0.04$ | ${}_{-4.6}^{+0.7}$ Other fraction (%) $f_{0}(500)/f_{0}(980)$ | $\pm$0.005 | $\pm$0.051 | ${}^{+0.300}_{-0.120}$ | $\pm$0.017 | ${}_{-0.14}^{+0.31}$ $\rho(770)$ | $\pm 0.015$ | $\pm 0.080$ | ${}^{+0.040}_{-0.120}$ | $\pm 0.016$ | ${}_{-0.15}^{+0.09}$ $C\\!P$-even | $\pm 0.04$ | $\pm 0.06$ | ${}^{+0.66}_{-0.03}$ | $\pm 0.06$ | ${}^{+0.66}_{-0.10}$ ## 8 Further results ### 8.1 Fit fraction intervals The fit fractions shown in Table 4 differ considerably for some of the states between the two solutions. Table 10 lists the $1\sigma$ regions for the fit fractions taking into account the differences between the solutions and including systematic uncertainties. The regions covers both $1\sigma$ intervals of the two solutions. Table 10: Fit fraction ranges taking $1\sigma$ regions for both solutions including systematic uncertainties. Component | Fit fraction (%) ---|--- $f_{0}(980)$ | $65.0-94.5$ $f_{0}(1500)$ | $8.2-11.5$ $f_{0}(1790)$ | $0.6-7.4$ $f_{2}(1270)_{0}$ | $0.28-0.50$ $f_{2}(1270)_{\|}$ | $0.29-0.68$ $f_{2}(1270)_{\perp}$ | $0.23-1.00$ $f_{2}^{\prime}(1525)_{0}$ | $0.41-0.62$ $f_{2}^{\prime}(1525)_{\|}$ | $0.02-0.27$ $f_{2}^{\prime}(1525)_{\perp}$ | $0.03-0.49$ NR | $0-7.5$ ### 8.2 $C\\!P$ content The only $C\\!P$-even content arises from the $\perp$ projections of the $f_{2}(1270)$ and $f_{2}^{\prime}(1525)$ resonances, in addition to the 0 and $\|$ of any possible $\rho(770)$ resonance. The $C\\!P$-even measured values are $(0.89\pm 0.38_{-0.10}^{+0.59})\%$ and $(0.86\pm 0.42_{-0.10}^{+0.66})\%$ for Solutions I and II, respectively (see Table 4), where the systematic uncertainty is dominated by the forbidden $\rho(770)$ transversity $0$ and $\|$ components added in quadrature. To obtain the corresponding upper limit, the covariance matrix and parameter values from the fit are used to generate 2000 sample parameter sets. For each set, the $C\\!P$-even fraction is calculated and is then smeared by the systematic uncertainty. The integral of 95% of the area of the distribution yields an upper limit on the $C\\!P$-even component of 2.3% at 95% CL, where the larger value given by Solution II is used. The upper limit is the same as our previous measurement [3], while the current measurement also adds in a possible $f_{2}^{\prime}(1525)$ contribution. ### 8.3 Mixing angle and interpretation of light scalars The $I=0$ resonanances, $f_{0}(500)$ and $f_{0}(980)$, are thought to be mixtures of underlying states whose mixing angle has been estimated previously (see references cited in Ref. [35]). The mixing is parameterized by a normal 2$\times$2 rotation matrix characterized by the angle $\varphi_{m}$, giving in our case $\displaystyle|f_{0}(980)\rangle$ $\displaystyle=$ $\displaystyle\;\;\;\cos\varphi_{m}|s\overline{s}\rangle+\sin\varphi_{m}|n\overline{n}\rangle$ $\displaystyle|f_{0}(500)\rangle$ $\displaystyle=$ $\displaystyle-\sin\varphi_{m}|s\overline{s}\rangle+\cos\varphi_{m}|n\overline{n}\rangle,$ $\displaystyle{\rm where~{}}|n\overline{n}\rangle$ $\displaystyle\equiv$ $\displaystyle\frac{1}{\sqrt{2}}\left(|u\overline{u}\rangle+|d\overline{d}\rangle\right).$ (26) In this case only the $|s\overline{s}\rangle$ wave function contributes. Thus we have [2] $\tan^{2}\varphi_{m}=\frac{{\cal{B}}\left(\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}f_{0}(500)\right)}{{\cal{B}}\left(\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}f_{0}(980)\right)}\frac{\Phi(980)}{\Phi(500)},$ (27) where the $\Phi$’s are phase space factors. The phase space in this pseudoscalar to vector-pseudoscalar decay is proportional to the cube of the $f_{0}$ momenta. Taking the average of the momentum dependent phase space over the resonant line shapes results in the ratio of phase space factors $\frac{\Phi(500)}{\Phi(980)}=1.25$. Our measured upper limit is $\frac{{\cal{B}}\left(\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}f_{0}(500),~{}f_{0}(500)\rightarrow\pi^{+}\pi^{-}\right)}{{\cal{B}}\left(\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}f_{0}(980),~{}f_{0}(980)\rightarrow\pi^{+}\pi^{-}\right)}<3.4\%~{}{\rm at~{}90\%~{}CL,}$ (28) where the larger value of the two solutions (II) is used. This value must be corrected for the individual branching fractions of the $f_{0}$ resonances into $\pi^{+}\pi^{-}$. BaBar measures the relative branching ratios of $f_{0}(980)\rightarrow K^{+}K^{-}$ to $\pi^{+}\pi^{-}$ of $0.69\pm 0.32$ using $B\rightarrow KKK$ and $B\rightarrow K\pi\pi$ decays [36]. BES has extracted relative branching ratios using $\psi(2S)\rightarrow\gamma\chi_{c0}$ decays where the $\chi_{c0}\rightarrow f_{0}(980)f_{0}(980)$, and either both $f_{0}(980)$’s decay into $\pi^{+}\pi^{-}$ or one into $\pi^{+}\pi^{-}$ and the other into $K^{+}K^{-}$ [37, *Ablikim:2005kp]. Averaging the two measurements gives $\frac{{\cal{B}}\left(f_{0}(980)\rightarrow K^{+}K^{-}\right)}{{\cal{B}}\left(f_{0}(980)\rightarrow\pi^{+}\pi^{-}\right)}=0.35_{-0.14}^{+0.15}$ (29) Assuming that the $\pi\pi$ and $KK$ decays are dominant we can also extract ${\cal{B}}\left(f_{0}(980)\rightarrow\pi^{+}\pi^{-}\right)=\left(46\pm 6\right)\%$ (30) where we have assumed that the only other decays are to $\pi^{0}\pi^{0}$, $\frac{1}{2}$ of the $\pi^{+}\pi^{-}$ rate, and to neutral kaons, equal to charged kaons. We use ${\cal{B}}\left(f_{0}(500)\rightarrow\pi^{+}\pi^{-}\right)=\frac{2}{3}$, which results from isopsin Clebsch-Gordon coefficients, and assuming that the only decays are into two pions. Since we have only an upper limit on the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}f_{0}(500)$, we will only find an upper limit on the mixing angle, so if any other decay modes of the $f_{0}(500)$ exist, they would make the limit more stringent. Including uncertainty of ${\cal{B}}\left(f_{0}(980)\rightarrow\pi^{+}\pi^{-}\right)$, our limit is $\tan^{2}\varphi_{m}=\frac{{\cal{B}}\left(\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}f_{0}(500)\right)}{{\cal{B}}\left(\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}f_{0}(980)\right)}\frac{\Phi(980)}{\Phi(500)}<1.8\%~{}{\rm at~{}90\%~{}CL},$ (31) which translates into a limit $|\varphi_{m}|<7.7^{\circ}~{}{\rm at~{}90\%~{}CL}.$ (32) This limit is the most constraining ever placed on this mixing angle [21]. The value of $\tan^{2}\varphi_{m}$ is consistent with the tetraquark model, which predicts zero within a few degrees[2, 35]. ## 9 Conclusions The $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}$ decay can be described by the interfering sum of five resonant components: $f_{0}(980),f_{0}(1500),f_{0}(1790),f_{2}(1270)$ and $f_{2}^{\prime}(1525)$. In addition we find that a second model including these states plus non-resonant ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}$ also provides a good description of the data. In both models the largest component of the decay is the $f_{0}(980)$ with the $f_{0}(1500)$ being almost an order of magnitude smaller. We also find including the $f_{0}(1790)$ resonance improves the data fit significantly. The $\pi^{+}\pi^{-}$ system is mostly S-wave, with the D-wave components totaling only 2.3% in either model. No significant $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\rho(770)$ decay is observed; a 90% CL upper limit on the fit fraction is set to be 1.7%. The most important result of this analysis is that the $C\\!P$ content is consistent with being purely odd, with the $C\\!P$-even component limited to 2.3% at 95% CL. Also of importance is the limit on the absolute value of the mixing angle between the $f_{0}(500)$ and $f_{0}(980)$ resonances of $7.7^{\circ}$ at 90% CL, the most stringent limit ever reported. This is also consistent with these states being tetraquarks. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); MEN/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centers are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). We are indebted to the communities behind the multiple open source software packages we depend on. We are also thankful for the computing resources and the access to software R&D tools provided by Yandex LLC (Russia). ## References * [1] LHCb collaboration, R. 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2014-02-25T17:24:28
2024-09-04T02:49:58.855586
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, B. Adeva, M. Adinolfi, A. Affolder, Z.\n Ajaltouni, J. Albrecht, F. Alessio, M. Alexander, S. Ali, G. Alkhazov, P.\n Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio, Y. Amhis, L. Anderlini,\n J. Anderson, R. Andreassen, M. Andreotti, J.E. Andrews, R.B. Appleby, O.\n Aquines Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G.\n Auriemma, M. Baalouch, S. Bachmann, J.J. Back, A. Badalov, V. Balagura, W.\n Baldini, R.J. Barlow, C. Barschel, S. Barsuk, W. Barter, V. Batozskaya, Th.\n Bauer, A. Bay, J. Beddow, F. Bedeschi, I. Bediaga, S. Belogurov, K. Belous,\n I. Belyaev, E. Ben-Haim, G. Bencivenni, S. Benson, J. Benton, A. Berezhnoy,\n R. Bernet, M.-O. Bettler, M. van Beuzekom, A. Bien, S. Bifani, T. Bird, A.\n Bizzeti, P.M. Bj{\\o}rnstad, T. Blake, F. Blanc, J. Blouw, S. Blusk, V. Bocci,\n A. Bondar, N. Bondar, W. Bonivento, S. Borghi, A. Borgia, M. Borsato, T.J.V.\n Bowcock, E. Bowen, C. Bozzi, T. Brambach, J. van den Brand, J. Bressieux, D.\n Brett, M. Britsch, T. Britton, N.H. Brook, H. Brown, A. Bursche, G. Busetto,\n J. Buytaert, S. Cadeddu, R. Calabrese, O. Callot, M. Calvi, M. Calvo Gomez,\n A. Camboni, P. Campana, D. Campora Perez, F. Caponio, A. Carbone, G. Carboni,\n R. Cardinale, A. Cardini, H. Carranza-Mejia, L. Carson, K. Carvalho Akiba, G.\n Casse, L. Cassina, L. Castillo Garcia, M. Cattaneo, Ch. Cauet, R. Cenci, M.\n Charles, Ph. Charpentier, S.-F. Cheung, N. Chiapolini, M. Chrzaszcz, K. Ciba,\n X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, I.\n Counts, B. Couturier, G.A. Cowan, D.C. Craik, M. Cruz Torres, S. Cunliffe, R.\n Currie, C. D'Ambrosio, J. Dalseno, P. David, P.N.Y. David, A. Davis, I. De\n Bonis, K. De Bruyn, S. De Capua, M. De Cian, J.M. De Miranda, L. De Paula, W.\n De Silva, P. De Simone, D. Decamp, M. Deckenhoff, L. Del Buono, N.\n D\\'el\\'eage, D. Derkach, O. Deschamps, F. Dettori, A. Di Canto, H. Dijkstra,\n S. Donleavy, F. Dordei, M. Dorigo, P. Dorosz, A. Dosil Su\\'arez, D. Dossett,\n A. Dovbnya, F. Dupertuis, P. Durante, R. Dzhelyadin, A. Dziurda, A. Dzyuba,\n S. Easo, U. Egede, V. Egorychev, S. Eidelman, S. Eisenhardt, U. Eitschberger,\n R. Ekelhof, L. Eklund, I. El Rifai, Ch. Elsasser, S. Esen, A. Falabella, C.\n F\\\"arber, C. Farinelli, S. Farry, D. Ferguson, V. Fernandez Albor, F.\n Ferreira Rodrigues, M. Ferro-Luzzi, S. Filippov, M. Fiore, M. Fiorini, C.\n Fitzpatrick, M. Fontana, F. Fontanelli, R. Forty, O. Francisco, M. Frank, C.\n Frei, M. Frosini, J. Fu, E. Furfaro, A. Gallas Torreira, D. Galli, S.\n Gambetta, M. Gandelman, P. Gandini, Y. Gao, J. Garofoli, J. Garra Tico, L.\n Garrido, C. Gaspar, R. Gauld, L. Gavardi, E. Gersabeck, M. Gersabeck, T.\n Gershon, Ph. Ghez, A. Gianelle, S. Giani', V. Gibson, L. Giubega, V.V.\n Gligorov, C. G\\\"obel, D. Golubkov, A. Golutvin, A. Gomes, H. Gordon, M.\n Grabalosa G\\'andara, R. Graciani Diaz, L.A. Granado Cardoso, E. Graug\\'es, G.\n Graziani, A. Grecu, E. Greening, S. Gregson, P. Griffith, L. Grillo, O.\n Gr\\\"unberg, B. Gui, E. Gushchin, Yu. Guz, T. Gys, C. Hadjivasiliou, G.\n Haefeli, C. Haen, T.W. Hafkenscheid, S.C. Haines, S. Hall, B. Hamilton, T.\n Hampson, S. Hansmann-Menzemer, N. Harnew, S.T. Harnew, J. Harrison, T.\n Hartmann, J. He, T. Head, V. Heijne, K. Hennessy, P. Henrard, L. Henry, J.A.\n Hernando Morata, E. van Herwijnen, M. He\\ss, A. Hicheur, D. Hill, M.\n Hoballah, C. Hombach, W. Hulsbergen, P. Hunt, N. Hussain, D. Hutchcroft, D.\n Hynds, M. Idzik, P. Ilten, R. Jacobsson, A. Jaeger, E. Jans, P. Jaton, A.\n Jawahery, F. Jing, M. John, D. Johnson, C.R. Jones, C. Joram, B. Jost, N.\n Jurik, M. Kaballo, S. Kandybei, W. Kanso, M. Karacson, T.M. Karbach, M.\n Kelsey, I.R. Kenyon, T. Ketel, B. Khanji, C. Khurewathanakul, S. Klaver, O.\n Kochebina, I. Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A.\n Kozlinskiy, L. Kravchuk, K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F.\n Kruse, M. Kucharczyk, V. Kudryavtsev, K. Kurek, T. Kvaratskheliya, V.N. La\n Thi, D. Lacarrere, G. Lafferty, A. Lai, D. Lambert, R.W. Lambert, E.\n Lanciotti, G. Lanfranchi, C. Langenbruch, B. Langhans, T. Latham, C.\n Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees, R. Lef\\`evre, A. Leflat, J.\n Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B. Leverington, Y. Li, M. Liles,\n R. Lindner, C. Linn, F. Lionetto, B. Liu, G. Liu, S. Lohn, I. Longstaff, J.H.\n Lopes, N. Lopez-March, P. Lowdon, H. Lu, D. Lucchesi, H. Luo, E. Luppi, O.\n Lupton, F. Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S. Malde, G.\n Manca, G. Mancinelli, M. Manzali, J. Maratas, U. Marconi, C. Marin Benito, P.\n Marino, R. M\\\"arki, J. Marks, G. Martellotti, A. Martens, A. Mart\\'in\n S\\'anchez, M. Martinelli, D. Martinez Santos, F. Martinez Vidal, D. Martins\n Tostes, A. Massafferri, R. Matev, Z. Mathe, C. Matteuzzi, A. Mazurov, M.\n McCann, J. McCarthy, A. McNab, R. McNulty, B. McSkelly, B. Meadows, F. Meier,\n M. Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J. Molina Rodriguez, S.\n Monteil, D. Moran, M. Morandin, P. Morawski, A. Mord\\`a, M.J. Morello, R.\n Mountain, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B. Muster, P. Naik,\n T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N. Neri, S. Neubert, N.\n Neufeld, A.D. Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R.\n Niet, N. Nikitin, T. Nikodem, A. Novoselov, A. Oblakowska-Mucha, V.\n Obraztsov, S. Oggero, S. Ogilvy, O. Okhrimenko, R. Oldeman, G. Onderwater, M.\n Orlandea, J.M. Otalora Goicochea, P. Owen, A. Oyanguren, B.K. Pal, A. Palano,\n F. Palombo, M. Palutan, J. Panman, A. Papanestis, M. Pappagallo, L.\n Pappalardo, C. Parkes, C.J. Parkinson, G. Passaleva, G.D. Patel, M. Patel, C.\n Patrignani, C. Pavel-Nicorescu, A. Pazos Alvarez, A. Pearce, A. Pellegrino,\n M. Pepe Altarelli, S. Perazzini, E. Perez Trigo, P. Perret, M. Perrin-Terrin,\n L. Pescatore, E. Pesen, G. Pessina, K. Petridis, A. Petrolini, E. Picatoste\n Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, A. Pistone, S. Playfer, M. Plo\n Casasus, F. Polci, A. Poluektov, E. Polycarpo, A. Popov, D. Popov, B.\n Popovici, C. Potterat, A. Powell, J. Prisciandaro, A. Pritchard, C. Prouve,\n V. Pugatch, A. Puig Navarro, G. Punzi, W. Qian, B. Rachwal, J.H. Rademacker,\n B. Rakotomiaramanana, M. Rama, M.S. Rangel, I. Raniuk, N. Rauschmayr, G.\n Raven, S. Reichert, M.M. Reid, A.C. dos Reis, S. Ricciardi, A. Richards, K.\n Rinnert, V. Rives Molina, D.A. Roa Romero, P. Robbe, D.A. Roberts, A.B.\n Rodrigues, E. Rodrigues, P. Rodriguez Perez, S. Roiser, V. Romanovsky, A.\n Romero Vidal, M. Rotondo, J. Rouvinet, T. Ruf, F. Ruffini, H. Ruiz, P. Ruiz\n Valls, G. Sabatino, J.J. Saborido Silva, N. Sagidova, P. Sail, B. Saitta, V.\n Salustino Guimaraes, B. Sanmartin Sedes, R. Santacesaria, C. Santamarina\n Rios, E. Santovetti, M. Sapunov, A. Sarti, C. Satriano, A. Satta, M. Savrie,\n D. Savrina, M. Schiller, H. Schindler, M. Schlupp, M. Schmelling, B. Schmidt,\n O. Schneider, A. Schopper, M.-H. Schune, R. Schwemmer, B. Sciascia, A.\n Sciubba, M. Seco, A. Semennikov, K. Senderowska, I. Sepp, N. Serra, J.\n Serrano, P. Seyfert, M. Shapkin, I. Shapoval, Y. Shcheglov, T. Shears, L.\n Shekhtman, O. Shevchenko, V. Shevchenko, A. Shires, R. Silva Coutinho, G.\n Simi, M. Sirendi, N. Skidmore, T. Skwarnicki, N.A. Smith, E. Smith, E. Smith,\n J. Smith, M. Smith, H. Snoek, M.D. Sokoloff, F.J.P. Soler, F. Soomro, D.\n Souza, B. Souza De Paula, B. Spaan, A. Sparkes, F. Spinella, P. Spradlin, F.\n Stagni, S. Stahl, O. Steinkamp, S. Stevenson, S. Stoica, S. Stone, B.\n Storaci, S. Stracka, M. Straticiuc, U. Straumann, R. Stroili, V.K. Subbiah,\n L. Sun, W. Sutcliffe, S. Swientek, V. Syropoulos, M. Szczekowski, P.\n Szczypka, D. Szilard, T. Szumlak, S. T'Jampens, M. Teklishyn, G. Tellarini,\n E. Teodorescu, F. Teubert, C. Thomas, E. Thomas, J. van Tilburg, V.\n Tisserand, M. Tobin, S. Tolk, L. Tomassetti, D. Tonelli, S. Topp-Joergensen,\n N. Torr, E. Tournefier, S. Tourneur, M.T. Tran, M. Tresch, A. Tsaregorodtsev,\n P. Tsopelas, N. Tuning, M. Ubeda Garcia, A. Ukleja, A. Ustyuzhanin, U. Uwer,\n V. Vagnoni, G. Valenti, A. Vallier, R. Vazquez Gomez, P. Vazquez Regueiro, C.\n V\\'azquez Sierra, S. Vecchi, J.J. Velthuis, M. Veltri, G. Veneziano, M.\n Vesterinen, B. Viaud, D. Vieira, X. Vilasis-Cardona, A. Vollhardt, D.\n Volyanskyy, D. Voong, A. Vorobyev, V. Vorobyev, C. Vo\\ss, H. Voss, J.A. de\n Vries, R. Waldi, C. Wallace, R. Wallace, S. Wandernoth, J. Wang, D.R. Ward,\n N.K. Watson, A.D. Webber, D. Websdale, M. Whitehead, J. Wicht, J.\n Wiechczynski, D. Wiedner, G. Wilkinson, M.P. Williams, M. Williams, F.F.\n Wilson, J. Wimberley, J. Wishahi, W. Wislicki, M. Witek, G. Wormser, S.A.\n Wotton, S. Wright, S. Wu, K. Wyllie, Y. Xie, Z. Xing, Z. Yang, X. Yuan, O.\n Yushchenko, M. Zangoli, M. Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y.\n Zhang, A. Zhelezov, A. Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Sheldon Stone", "url": "https://arxiv.org/abs/1402.6248" }
1402.6337
# A review of type Ia supernova spectra J. Parrent11affiliationmark: 22affiliationmark: , B. Friesen33affiliationmark: , and M. Parthasarathy44affiliationmark: ###### Abstract SN 2011fe was the nearest and best-observed type Ia supernova in a generation, and brought previous incomplete datasets into sharp contrast with the detailed new data. In retrospect, documenting spectroscopic behaviors of type Ia supernovae has been more often limited by sparse and incomplete temporal sampling than by consequences of signal-to-noise ratios, telluric features, or small sample sizes. As a result, type Ia supernovae have been primarily studied insofar as parameters discretized by relative epochs and incomplete temporal snapshots near maximum light. Here we discuss a necessary next step toward consistently modeling and directly measuring spectroscopic observables of type Ia supernova spectra. In addition, we analyze current spectroscopic data in the parameter space defined by empirical metrics, which will be relevant even after progenitors are observed and detailed models are refined. 00footnotetext: 6127 Wilder Lab, Department of Physics & Astronomy, Dartmouth College, Hanover, NH 03755, USA00footnotetext: Las Cumbres Observatory Global Telescope Network, Goleta, CA 93117, USA00footnotetext: Homer L. Dodge Department of Physics and Astronomy, University of Oklahoma, 440 W Brooks, Norman, OK 73019, USA00footnotetext: Inter-University Centre for Astronomy and Astrophysics (IUCAA), Post Bag 4, Ganeshkhind, Pune 411007, India Keywords supernovae : type Ia - general - observational - white dwarfs, techniques: spectroscopic ## 1 Introduction The transient nature of extragalactic type Ia supernovae (SN Ia) prevent studies from conclusively singling out unobserved progenitor configurations (Roelofs et al., 2008; Li et al., 2011b; Kilic et al., 2013). It remains fairly certain that the progenitor system of SN Ia comprises at least one compact C$+$O white dwarf (Chandrasekhar, 1957; Nugent et al., 2011; Bloom et al., 2012). However, _how_ the state of this primary star reaches a critical point of disruption continues to elude astronomers. This is particularly so given that less than $\sim$ 15% of locally observed white dwarfs have a mass a few 0.1M⊙ greater than a solar mass; very few systems near the formal Chandrasekhar-mass limit555By “formal” we are referring to the mass limit that omits stellar rotation (see Appendix of Jeffery et al. 2006)., MCh $\approx$ 1.38 M⊙ (Vennes, 1999; Liebert et al., 2005; Napiwotzki et al., 2005; Parthasarathy et al., 2007; Napiwotzki et al., 2007). Thus far observational constraints of SN Ia have been inconclusive in distinguishing between the following three separate theoretical considerations about possible progenitor scenarios. Along side perturbations in the critical mass limit or masses of the progenitors, e.g., from rotational support (Mueller & Eriguchi, 1985; Yoon & Langer, 2005; Chen & Li, 2009; Hachisu et al., 2012; Tornambé & Piersanti, 2013) or variances of white dwarf (WD) populations (van Kerkwijk et al., 2010; Dan et al., 2013), the primary WD may reach the critical point by accretion of material from a low-mass, radially- confined secondary star (Whelan & Iben, 1973; Nomoto & Sugimoto, 1977; Hayden et al., 2010a; Bianco et al., 2011; Bloom et al., 2012; Hachisu et al., 2012; Wheeler, 2012; Mazzali et al., 2013; Chen et al., 2013), and/or through one of several white dwarf merger scenarios with a close binary companion (Webbink, 1984; Iben & Tutukov, 1984; Paczynski, 1985; Thompson, 2011; Wang et al., 2013a; Pakmor et al., 2013). In addition, the presence (or absence) of circumstellar material may not solely rule out particular progenitor systems as now both single- and double-degenerate systems are consistent with having polluted environments prior to the explosion (Shen et al., 2013; Phillips et al., 2013). Meanwhile, and within the context of a well-observed spectroscopically normal SN 2011fe, recent detailed models and spectrum synthesis along with SN Ia rates studies, a strong case for merging binaries as the progenitors of normal SN Ia has surfaced (c.f., van Kerkwijk et al. 2010; Li et al. 2011c; Blondin et al. 2012; Chomiuk 2013; Dan et al. 2013; Moll et al. 2013; Maoz et al. 2013; Johansson et al. 2014). However, because no progenitor system has _ever_ been connected to any SN Ia, most observational constraints and trends are difficult to robustly impose on a standard model picture for even a single progenitor channel; the SN Ia problem is yet to be confined for each SN Ia subtype. As for restricting SN Ia subtypes to candidate progenitor systems: (i) observed “jumps” between mean properties of SN Ia subtypes signify potential differences of progenitors and/or explosion mechanisms, (ii) the dispersions of individual subtypes are thought to arise from various abundance, density, metallicity, and/or temperature enhancements of the original progenitor system’s post-explosion ejecta tomography, and (iii) “transitional-type” SN Ia complicate the already similar overlap of observed SN Ia properties (Nugent et al., 1995; Lentz et al., 2000; Benetti et al., 2005; Branch et al., 2009; Höflich et al., 2010; Wang et al., 2012, 2013c; Dessart et al., 2013a). Moreover, our physical understanding of all observed SN Ia subclasses remains based entirely on interpretations of idealized explosion models that are so far constrained and evaluated by “goodness of fit” comparisons to incomplete observations, particularly for SN Ia spectra at all epochs. By default, spectra have been a limiting factor of supernova studies due to associated observational consequences, e.g., impromptu transient targets, variable intrinsic peak luminosities, a sparsity of complete datasets in wavelength and time, insufficient signal-to-noise ratios, and the ever-present obstacle of spectroscopic line blending (Payne-Gaposchkin & Whipple, 1940). Subsequently, two frequently relied upon empirical quantifiers of SN Ia spectroscopic diversity have been the rate at which rest-frame 6100 Å absorption minima shift redward vis-à-vis projected Doppler velocities of the absorbing Si-rich material (Benetti et al., 2005; Wang et al., 2009a) and absorption strength measurements (a.k.a. pseudo equivalent widths; pEWs) of several lines of interest (see Branch et al. 2006; Hachinger et al. 2006; Silverman et al. 2012b; Blondin et al. 2012). Together these classification schemes more-or-less describe the same events by two interconnected parameter spaces (i.e. flux and expansion velocities, Branch et al. 2009; Foley & Kasen 2011; Blondin et al. 2012) that are dependent on a multi-dimensional array of physical properties. Naturally, the necessary next step for supernova studies alike is the development of prescriptions for the physical diagnosis of spectroscopic behaviors (see §2.2 and Kerzendorf & Sim 2014). For those supernova events that _have_ revealed the observed patterns of SN Ia properties, the majority are termed “Branch-normal” (Branch et al., 1993; Li et al., 2011c), while others further away from the norm are historically said to be “peculiar” (e.g., SN 1991T, 1991bg; see Filippenko 1997 and references therein). Although, many non-standard events have since obscured the boundaries between both normal and peculiar varieties of SN Ia, such as SN 1999aa (Garavini et al., 2004), 2000cx (Chornock et al., 2000; Li et al., 2001; Rudy et al., 2002), 2001ay (Krisciunas et al., 2011), 2002cx (Li et al., 2003), 2003fg (Howell et al., 2006; Jeffery et al., 2006), 2003hv (Leloudas et al., 2009; Mazzali et al., 2011), 2004dt (Wang et al., 2006; Altavilla et al., 2007), 2004eo (Pastorello et al., 2007a), 2005gj (Prieto et al., 2007), 2006bt (Foley et al., 2010b), 2007ax (Kasliwal et al., 2008), 2008ha (Foley et al., 2009, 2010a), 2009ig (Foley et al., 2012c; Marion et al., 2013), PTF10ops (Maguire et al., 2011), PTF11kx (Dilday et al., 2012; Silverman et al., 2013b), and 2012fr (Maund et al., 2013; Childress et al., 2013c). The fact that certain subsets of normal SN Ia constitute a near homogenous group of intrinsically bright events has led to their use as standardizable distance indicators (Kowal, 1968; Elias et al., 1985a; Branch & Tammann, 1992; Riess et al., 1999; Perlmutter et al., 1999; Schmidt, 2004; Mandel et al., 2011; Maeda et al., 2011; Sullivan et al., 2011a; Hicken et al., 2012). However, this same attribute of homogeneity remains the greatest challenge in the individual study of SN Ia given that the time-evolving spectrum of a supernova is unique unto itself from the earliest to the latest epochs. Because SN Ia are invaluable tools for both cosmology and understanding progenitor populations, a multitude of large scale surveys, searches, and observing campaigns666e.g., The Automated Survey for SuperNovae (Assassin), The Backyard Observatory Supernova Search (BOSS), The Brazilian Supernova Search (BRASS), The Carnegie Supernova Project (CSP), The Catalina Real-Time Transient Survey (CRTS), The CHilean Automatic Supernovas sEarch (CHASE), The Dark Energy Survey (DES), The Equation of State: SupErNovae trace Cosmic Expansion (ESSENCE) Supernova Survey, The La Silla-QUEST Variability Survey (LSQ), Las Cumbres Observatory Global Telescope Network (LCOGT), The Lick Observatory Supernova Search (LOSS), The Mobile Astronomical System of the Telescope-Robots Supernova Search (MASTER), The Nearby Supernova Factory (SNfactory), The Optical Gravitational Lensing Experiment (OGLE-IV), The Palomar Transient Factory (PTF), The Panoramic Survey Telescope and Rapid Response System (Pan-STARRS), The Plaskett Spectroscopic Supernova Survey (PSSS), Public ESO Spectroscopic Survey of Transient Objects (PESSTO), The Puckett Observatory World Supernova Search, The ROTSE Supernova Verification Project (RSVP), The SDSS Supernova Survey, The Canada-France-Hawaii Telescope Legacy Survey Supernova Program (SNLS), The Southern inTermediate Redshift ESO Supernova Search (STRESS), The Texas Supernova Search (TSS); for more, see http://www.rochesterastronomy.org/snimages/snlinks.html. are continually being carried out with regularly improved precision. Subsequently, this build-up of competing resources has also resulted in an ever growing number of new and important discoveries, with less than complete information for each. In fact, with so many papers published each year on various aspects of SN Ia, it can be difficult to keep track of new results and important developments, including the validity of past and present theoretical explosion simulations and their related observational interpretations (see Maoz et al. 2013 for the latest). Here we compile some of the discussions on spectroscopic properties of SN Ia from the past decade of published works. In §2 we overview the most common means for studying SN Ia: light curves (§2.1), spectra (§2.2), and detailed explosion models (§2.3). In particular, we overview how far the well-observed SN 2011fe has progressed the degree of confidence associated with reading highly blended SN Ia spectra. Issues of SN Ia diversity are discussed in §3. Next, in §4 we recall several SN Ia that have made up the bulk of _recent_ advances in uncovering the extent of their properties and peculiarities (see also the Appendix for a guide of some recent events). Finally, in §5 we summarize and conclude with some observational lessons of SN 2011fe. ## 2 Common Subfields of Utility ### 2.1 Light curves The interaction between the radiation field and the ejecta can be interpreted to zeroth order with the bolometric light curve. For SN Ia, the rise and fall of the light curve is said to be “powered” by 56Ni produced in the explosion (Colgate & McKee, 1969; Arnett, 1982; Khokhlov et al., 1993; Mazzali et al., 1998; Pinto & Eastman, 2000a; Stritzinger & Leibundgut, 2005). Additional sources _are_ expected to contribute to the overall luminosity behavior at various epochs777Just a few examples include: C$+$O layer metallicity (Lentz et al., 2000; Timmes et al., 2003; Meng et al., 2011), interaction with circumstellar material (CSM, see Quimby et al. 2006b; Patat et al. 2007; Simon et al. 2007; Kasen 2010; Hayden et al. 2010a; Sternberg et al. 2011; Foley et al. 2012a; Förster et al. 2012; Shen et al. 2013; Silverman et al. 2013d; Raskin & Kasen 2013) or an enshrouding C$+$O envelope (Scalzo et al., 2012; Taubenberger et al., 2013), differences in total progenitor system masses (Hachisu et al., 2012; Pakmor et al., 2013; Chen et al., 2013), and directional dependent aspects of binary configurations (e.g., Blondin et al. 2011; Moll et al. 2013).. For example, Nomoto et al. (2003) has suggested that the variation of the carbon mass fraction in the C+O WD (C/O), or the variation of the initial WD mass, causes the diversity of SN Ia brightnesses (see Höflich et al. 2010). Similarly, Meng et al. (2011) argue that C/O and progenitor metallicity, Z, are intimately related for a fixed WD mass, and particularly for high metallicities given that it results in lower 3$\alpha$ burning rates plus an increased reduction of carbon via 12C($\alpha$,$\gamma$)16O. For Z $>$ Z⊙ ($\sim$0.02), Meng et al. (2011) find that both C/O and Z have an approximately equal influence on 56Ni production since, for a given WD mass, high progenitor metallicities (a greater abundance of species heavier than oxygen) and low C/O abundances (low carbon-rich fuel assuming a single- degenerate scenario) result in a low 56Ni yield and subsequently dimmer SN Ia. For near solar metallicities or less, the carbon mass fraction plays a dominant role in 56Ni production (Timmes et al., 2003). This then suggests that the average C/O ratio in the final state of the progenitor is an important _physical_ cause, in addition to metallicity, for the observed width-luminosity relationship (WLR888A WLR is followed when a SN Ia has a proportionately broader light curve for its intrinsic brightness at maximum light (Phillips, 1993). Phillips et al. (1999) later extended this correlation by incorporating measurement of the extinction via late time _B_ $-$ _V_ color measurements and _B_ $-$ _V_ and _V_ $-$ _I_ measurements at maximum light (see also Germany et al. 2004; Prieto et al. 2006b). Because lights curves of faint SN Ia evolve promptly before 15 days post-maximum light, light curve shape measurements are better suited for evaluating the light curve “stretch” (Conley et al., 2008).) of normal SN Ia light curves (Umeda et al., 1999a; Timmes et al., 2003; Nomoto et al., 2003; Bravo et al., 2010; Meng et al., 2011). At the same time, the observed characteristics of SN Ia light curves and spectra can be fairly matched by adopting radial and/or axial shifts in the distribution of 56Ni, possibly due to a delayed- and/or pulsational- detonation-like explosion mechanism (see Khokhlov 1991b; Hoflich et al. 1995; Baron et al. 2008; Bravo et al. 2009; Maeda et al. 2010b; Baron et al. 2012; Dessart et al. 2013a) or a merger scenario (e.g., Dan et al. 2013; Moll et al. 2013). Central ignition densities are also expected to play a secondary role in the form of the WLR since they are dependent upon the accretion rate of H and/or He-rich material and cooling time (Röpke et al., 2005; Höflich et al., 2010; Meng et al., 2010; Krueger et al., 2010; Sim et al., 2013), in addition to the spin-down timescales for differentially rotating WDs (Hachisu et al., 2012; Tornambé & Piersanti, 2013). Generally, discerning which of these factors dominate the spectrophotometric variation from one SN Ia to another remains a challenging task (Wang et al., 2012). As a result, astronomers are still mapping a broad range of SN Ia characteristics and trends (§3). Meanwhile, cosmological parameters determined by SN Ia light curves depend on an accurate comparison of nearby and distant events999Most SN Ia distance determination methods rely on correlating a distance dependent parameter and one or more distance independent parameters. Subsequently, a number of methods have been developed to calibrate SN Ia by multi-color light curve shapes (e.g., Hamuy et al. 1996; Nugent et al. 2002; Knop et al. 2003; Nobili et al. 2005; Prieto et al. 2006b; Jha et al. 2007; Conley et al. 2008; Rodney & Tonry 2009; Burns et al. 2011).. For distant and therefore redshifted SN Ia, a “K-correction” converts an observed magnitude to that which would be observed in the rest frame in another bandpass filter, allowing for the comparison of SN Ia brightnesses at various redshifts (Hogg et al., 2002). Consequently, K-corrections require the spectral energy distribution (SED) of the SN Ia and depend on SN Ia broad-band colors and the diversity of spectroscopic features (Nugent et al., 2002). While some light curve fitters take a K-correction-less approach (e.g., Guy et al. 2005, 2007; Conley et al. 2008), an SED is still required. A spectral template time series dataset is usually used since there exists remarkable homogeneity in the observed optical spectra of “normal” SN Ia (e.g., Hsiao et al. 2007). Unfortunately there do remain poorly understood differences regarding spectroscopic feature strengths and inferred expansion velocities for these and other types of thermonuclear supernovae (see §2.2 and §3). At best, the spectroscopic diversity of SN Ia has been determined to be multidimensional (Hatano et al., 2000; Benetti et al., 2005; Branch et al., 2009; Wang et al., 2009a). Verily, SN Ia diversity studies require numerous large spectroscopic datasets in order to subvert many complex challenges faced when interpreting the data and extracting both projected Doppler velocities and “feature strength” measurements. However, studies that seek to primarily utilize SN Ia broad band luminosities need only collect a handful of sporadically sampled spectra in order to type the supernova event as a bona fide SN Ia. We note that interests in precision cosmology conflict at this point with the study of SN Ia. This is primarily because obtaining _UBVRI_ photometry for hundreds of events is cheaper than collecting complete spectroscopy for a lesser number of SN Ia at various redshifts. Nevertheless, the brightness decline rate in the _B_ -band during the first 15 rest-frame days post-maximum light, $\Delta$m15(_B_), has proven useful for all SN Ia surveys. Phillips (1993) noted that $\Delta$m15(_B_) is well correlated with the intrinsic luminosity, a.k.a. the width-luminosity relationship. Previously, Khokhlov et al. (1993) did predict the existence of a WLR given that the light curve shape is sensitive to the time-dependent state of the ejected material. Kasen & Woosley (2007) recently utilized multi-dimensional time-dependent Monte Carlo radiative transfer calculations of Chandrasekhar-mass SN Ia models to access the physical relationship between the luminosity and light curve decline rate. They found that the WLR is largely a consequence of the radiative transfer inherent to SN Ia atmospheres, whereby the ionization evolution of iron redirects flux red ward and is hastened for dimmer and/or cooler SN Ia. Woosley et al. (2007) later explored the diversity of SN Ia light curves using a grid of 130 one-dimensional models. They concluded that a WLR is satisfied when SN Ia burn $\sim$ 1.1 M⊙ of material, with iron-group elements extending out to $\sim$ 8000 km s-1. Broadly speaking, the shape of the WLR is fundamentally influenced by the ionization evolution of iron group elements (Kasen & Woosley, 2007). However, since broad band luminosities are the sum of a supernova SED per wavelength interval, details of SN Ia diversity risk being “blurred out” for large samples of SN Ia. Therefore, decoding the spectra of all SN Ia subtypes, in addition to indirectly constraining detailed explosion models by the WLR, is of vital importance since variable signatures of iron-peak elements (IPEs) blend themselves within an SED typically populated by relatively strong features of overlapping signatures of intermediate-mass elements (IMEs). ### 2.2 Spectra Supernova spectra detail information about the explosion and its local environment. To isolate and extract physical details (and determine their order of influence), several groups have invested greatly in advancing the computation of synthetic spectra for SN Ia, particularly during the early phases of homologous expansion (e.g., Mazzali & Lucy 1993; Hauschildt & Baron 1999; Kasen et al. 2002; Thomas et al. 2002; Höflich et al. 2002; Branch 2004; Sauer et al. 2006; Kasen et al. 2006; Jeffery & Mazzali 2007; Sim et al. 2010a; Thomas et al. 2011a; Hillier & Dessart 2012; Hoffmann et al. 2013; Pauldrach et al. 2013; Kerzendorf & Sim 2014). Although, even the basic facets of the supernova radiation environment serve as obstacles for timely computations of physically accurate, statistically representative, and robustly certain synthetic spectra (e.g., consequences of expansion). It is the time-dependent interaction of the radiation field with the expanding material that complicates drawing conclusions about the explosion physics from the observations101010There is general consensus that the observed spectroscopic diversity of most SN Ia are influenced by: different configurations of 56Ni produced in the events (Colgate & McKee, 1969; Arnett, 1982; Khokhlov et al., 1993; Baron et al., 2012), their effective temperatures (Nugent et al., 1995), density profiles and the amount of IPEs present within the outermost layers of ejecta (Hatano et al., 1999a; Baron et al., 2006; Hachinger et al., 2012), global symmetries of Si-rich material (Thomas et al., 2002), departures from spherical symmetry for Ca and Si-rich material at high velocities (Wang et al., 2007; Kasen et al., 2009; Maeda et al., 2010a; Maund et al., 2013; Moll et al., 2013; Dessart et al., 2013a), efficiencies of flux redistribution (Kasen et al., 2006; Jack et al., 2012), the radial extent of stratified material resulting from a detonation phase (Woosley et al., 2007), host galaxy dust (Tripp & Branch, 1999; Childress et al., 2013a), and the metallicity of the progenitors (Höflich et al., 1998; Lentz et al., 2000; Timmes et al., 2003; Howell et al., 2009; Bravo et al., 2010; Jackson et al., 2010; Wang et al., 2013c).. In a sense, there are two stages during which direct (and accessible) information about the progenitor system is driven away from being easily discernible within the post-explosion spectra: explosive nucleosynthesis and radiation transport111111Some relevant obstacles include: a high radiation energy density in a low matter density environment, radiative versus local collisional processes (non-LTE conditions) and effects (Baron et al., 1996), time-dependent effects and the dominance of line over continuum opacity (Pinto & Eastman, 2000a, b), and relativistic flows as well as GR effects on line profiles (Chen et al., 2007; Knop et al., 2009). In addition, the entire light emission is powered by decay-chain $\gamma$-rays, interactions with CSM, and is influenced by positrons, fast electrons, and Auger electrons in later phases (Kozma & Fransson, 1992; Seitenzahl et al., 2009).. That is to say, the ability to reproduce both the observed light curve and spectra, as well as the range of observed characteristics among SN Ia, is essential towards validating and/or restricting any explosion model for a given subtype. Fig. 1 : Plotted is the SNFactory’s early epoch dataset of SN 2011fe presented by Pereira et al. (2013). We have normalized and over-plotted each spectrum at the 6100 Å P Cygni profile in order to show the relative locations of all ill- defined features as they evolve with the expansion of the ejecta. The quoted rise-time to maximum light (dashed black) is from Mazzali et al. (2013). Moreover, this assumes the sources of observed spectroscopic signatures in all varieties of SN Ia are known a priori, which is not necessarily the case given the immense volume of actively contributing atomic line transitions and continuum processes (Baron et al., 1995, 1996; Kasen et al., 2008; Bongard et al., 2008; Sauer et al., 2008). In fact, several features throughout the spectra have been either _tentatively_ associated with a particular blend of atomic lines or identified with a multiple of conflicting suggestions (e.g., forbidden versus permitted lines at late or “nebular” transitional phases, see Bowers et al. 1997; Branch et al. 2005; Friesen et al. 2012; Dessart et al. 2013b). Meanwhile others are simply misidentified or unresolved due to the inherent high degeneracy of solutions and warrant improvements to the models for further study (e.g., Na I versus [Co III]; Dessart et al. 2013b). For example, the debate over whether or not hydrogen and/or helium are detected in some early Ibc spectra has been difficult to navigate on account of the wavelength separation of observed weak features and the number of plausible interpretations (Deng et al., 2000; Branch et al., 2002b; Anupama et al., 2005a; Elmhamdi et al., 2006; Parrent et al., 2007; Ketchum et al., 2008; Soderberg et al., 2008; James & Baron, 2010; Benetti et al., 2011; Chornock et al., 2011; Dessart et al., 2012; Milisavljevic et al., 2013a, b; Takaki et al., 2013). Historically, the term “conspicuous” has defined whether or not a supernova belongs to a particular spectroscopic class. By way of illustration, _photographic spectrograms of type II events reveal conspicuous emission bands of hydrogen while type I events do not_ (Minkowski, 1941). With the advent of CCD cameras in modern astronomy, it has been determined that 6300 Å absorption features (however weak) in the early spectra of some type Ibc supernovae are often no less conspicuous than 6100 Å Si II $\lambda$6355 absorption features in SN Ia spectra, where some 6300 Å features produced by SN Ibc may be due to Si II and/or higher velocity H$\alpha$ (Filippenko, 1988; Filippenko et al., 1990; Filippenko, 1992). That is, while SN Ibc are of the type I class, they do not necessarily lack hydrogen and/or helium within their outer-most layers of ejecta, hence the conservative definition of type I supernovae as “hydrogen/helium-poor” events. This conundrum of which ion signatures construct each observed spectral feature rests proportionately on the signal-to-noise ratio (S/N) of the data. However, resolving this spectroscopic dilemma is primarily dependent on the wavelength and temporal coverage of the observations and traces back to the pioneering work of McLaughlin (1963) who studied spectra of the type Ib supernova, SN 1954A, in NGC 4214 (Wellmann, 1955; Branch, 1972; Blaylock et al., 2000; Casebeer et al., 2000). Contrary to previous interpretations that supernova spectra were the result of broad, overlapping emission features (Gaposchkin, 1936; Humason, 1936; Baade, 1936; Walter & Strohmeier, 1937; Minkowski, 1939; Payne-Gaposchkin & Whipple, 1940; Zwicky, 1942; Baade et al., 1956), it was D. B. McLaughlin who first began to repeatedly entertain the idea that “absorption-like” features were present121212Admittedly Minkowski (1941) had previously mentioned “absorptions and broad emission bands are developed [in the spectra of supernovae].” Although, this was primarily within the context of early epoch observations that revealed a featureless, blue continuum: “Neither absorptions nor emission bands can be definitely seen but some emission is suspected in the region of H$\alpha$” (Minkowski, 1940). in regions that “lacked emission” (McLaughlin, 1959, 1960, 1963). The inherent difficulties in reading supernova spectra and the history of uncertain line identifications for both conspicuous and _concealed_ absorption signatures are almost as old as the supernova field itself (Payne-Gaposchkin & Whipple, 1940; Dessart et al., 2013b). Still, spectroscopic intuitions can only evolve as far as the data allow. Therefore it is both appropriate and informative to recall the progression of early discussions on the spectra of supernovae, during which spectroscopic designations of type I and type II were first introduced: > There appears to be a general opinion that the evidence concerning the > spectrum of the most luminous nova of modern times was so contradictory that > conclusions as to its spectra nature are impossible. This view is expressed, > for example, by Miss Cannon: “With the testimony apparently so conflicting, > it is difficult to form any conception of the class of this spectrum” > (Gaposchkin, 1936). > It also seems ill advised to conclude anything regarding the distribution of > temperature in super-novae from the character of their visible spectra as > long as a satisfactory explanation of some of the most important features of > these spectra is completely lacking (Zwicky, 1936). > The spectrum is not easy to interpret, as true boundaries of the wide > emission lines are difficult to determine (Humason, 1936). > Those [emission] bands with distinct maxima and a fairly sharp redward or > violetward edge, excepting edges due to a drop in plate spectral > sensitivity, may give an indication of expansion velocity (Popper, 1937). > Instead of the typical pattern of broad, diffuse emissions dominated by a > band about 4600 Å, it appeared like a continuum with a few deep and several > shallow absorption-like minima. Two of the strongest “absorption lines,” > when provisionally interpreted as $\lambda\lambda$4026, 4472 He I, give > velocities near $-$5000 km s-1 […] The author is grateful to N. U. Mayall > and R. Minkowski for the use of spectrograms, and for helpful discussions. > However, this does not imply agreement with the author’s interpretations > (McLaughlin, 1959). > It is hardly necessary to emphasize in detail the difficulties of > establishing the correct interpretation of a spectrum which may reflect > unusual chemical composition, whose features may represent emission, > absorption, or both mixed, and whose details are too ill-defined to admit > precise measures of wavelengths (Minkowski, 1963). Given that our general understanding of blended spectral lines remains in a continual state of improvement, the frequently recurrent part of “the supernova problem” is pairing observed features with select elements of the periodic table (Hummer, 1976; Axelrod, 1980; Jeffery & Branch, 1990; Hatano et al., 1999b; Branch et al., 2000). In fact, it was not until nearly a half- century after Minkowski (1963), with the discovery and prompt spectroscopic follow-up of SN 2011fe (Figure 1 and §4.1) that the loose self-similarity of SN Ia time series spectra from the perceived beginning of the event to near maximum light was roundly confirmed (Nugent et al. 2011, see also Garavini et al. 2005; Foley et al. 2012c; Silverman et al. 2012d; Childress et al. 2013c; Zheng et al. 2013). While SN 2011fe may not have revealed a direct confirmation on its progenitor system (Li et al., 2011b), daily spectroscopic records at optical wavelengths were finally achieved, establishing the most efficient approach for observing ill-defined features over time (Pereira et al., 2013). This is important given that UV to NIR line identifications of all observed complexes are highly time- dependent, are sensitive to most physically relevant effects, continuously vary between subtypes, and rely on minimal constraint for all observed events131313See Foley et al. (2012b) for “The First Maximum-light Ultraviolet through Near-infrared Spectrum of a Type Ia Supernova.”. Fig. 2 : Top: A schematic representation of how an assumed spherically sharp and embedded photosphere amounts to a pure line-resonance P Cygni profile under the conditions of Sobolev line transfer within a geometry of Absorbing, Emitting, and Occulted regions of material (Jeffery & Branch, 1990; Branch et al., 2005). The approximate photospheric velocity, $v_{phot}$, is proportional to the blue ward shift of an unblended absorption minimum. Bottom: Application of the above P Cygni diagram to SN Ia spectra in terms of which species dominate and what other species are known to influence the temporal behavior (Bongard et al., 2008), each of which are constrainable from complete spectroscopic coverage. For each series of spectra, the black line in bold represents maximum light. Even so, this rarely attainable observing strategy does not necessarily illuminate nor eliminate all degeneracies in spectral feature interpretations. However the advantage of complimentary high frequency follow-up observations is that the spectrum solution associated with any proposed explosion scenario can at least be consistently tested and constrained by the observed rapid changes over time (“abundance tomography” goals, e.g., Hauschildt & Baron 1999; Stehle et al. 2005; Sauer et al. 2006; Kasen et al. 2006; Hillier & Dessart 2012; Pauldrach et al. 2013). It then follows that hundreds of well- observed spectrophotometric datasets serve to carve out the characteristic information, $f(\lambda;t)$, for each SN Ia between subtypes, in addition to establishing the perceived boundaries of the SN Ia diversity problem (see Fig. 11 of Blondin et al. 2012 for this concept at maximum light). For supernovae in general, Figure 1 also serves as a reminder that all relative strengths evolve continuously over time, where entire features are always red-shifting across wavelength (line velocity space) during the rise and fall in brightness. A corollary of this situation is that prescriptions for taking measurements of spectroscopic behaviors (whereby interpretations rely on a subjective “goodness of fit”) and robustly associating with any number of physical causes do not exist. Instead there are two primary means for interpreting SN Ia spectra and taking measurements of features for the purposes of extracting physical properties. _Indirect_ analysis assumes a detailed explosion model and is primarily tasked with assessing the accuracy and flaws of the model. _Direct_ analysis seeks to manually measure via spectrum synthesis where one can either assume an initial post-explosion ejecta composition _or_ give up abundance information altogether to assess the associated uncertainties and consequences of supernova line blending via _purposeful_ high parameterizations. For the latter of these direct inference methods, the conclusions about spectroscopic interpretations$-$which are supported by remnants of inconsistencies throughout the literature$-$are summarized as follows. For the most part, particularly at early epochs and as far as anyone can tell with current limiting datasets, the features in SN Ia spectra are due to IMEs and IPEs formed by resonance scattering of continuum and decay-chain photons, and have P Cygni-type profiles overall (Pskovskii 1969; Mustel 1971; Branch & Patchett 1973; Kirshner et al. 1973a; see Figure 2). Emission components peak at or near the rest wavelength and absorption components are blue-shifted according to the opacity profile of matter at and above the photospheric line forming region. The combination of these effects can often lead to “trumped” emission features (Jeffery & Branch, 1990), giving SN Ia spectra their familiar shapes. Essentially all _relevant_ atomic species (isotope plus ionization state) are present somewhere within the ejecta, each with its own 3-dimensional abundance profile. At optical wavelengths, conditions and abundance tomographies of the ejecta maintain the dominance of select singly$-$triply ionized subsets of C$+$O, IMEs, and IPEs (Hatano et al., 1999b). From shortly after the onset of the explosion to around the time of maximum light, the optical$-$NIR spectrum of a normal SN Ia consists of a continuum level with superimposed features that are primarily consistent with strong permitted lines of ions such as O I, Mg II, Si II, Si III, S II, Ca II, Fe II, Fe III, and trace signatures of C I and C II (Branch et al., 2006; Thomas et al., 2007; Bongard et al., 2008; Nugent et al., 2011; Parrent et al., 2012; Hsiao et al., 2013; Mazzali et al., 2013; Dessart et al., 2013a). After the pre-maximum light phase, blends of Fe II (in addition to other IPEs) begin to dominate or influence the temporal behavior of many optical$-$NIR features over timescales from weeks to months (see Branch et al. 2008 and references therein). With the above mentioned approximated view of line formation in mind (Figure 2), the real truth is that the time-dependent state of the ejecta and radiation field _at all locations_ dictates how the material presence within the line forming regions will be imparted onto the spectral continuum, i.e. the radiation field and the matter are said to be “coupled.” With the additional condition of near-relativistic expansion velocities ($\sim$0.1$c$), line identifications themselves can also be thought of as coupled to the abundance tomography of ejected material, which includes the projected Doppler velocities spanned by the recipe of absorbing material. Subsequently, while spectra can be used for constraining limits of some model parameters, it comes with a cost of certainty on account of _natural_ uncertainties imparted by the large expansion velocities and associated expansion opacities. As an exercise in this point, in Figure 3 we have constructed an early epoch set of toy model line profiles that are representative of normal SN Ia line identification procedures (e.g., Branch et al. 2005; Parrent et al. 2011) and over-plot them with an early optical$-$NIR spectrum (the observed outermost layers, sans UV) of SN 2011fe. We summarize the take away points of Figure 3 as follows. Fig. 3 : SYN++ calculation comparisons to the early optical$-$NIR spectrum of SN 2011fe (Hsiao et al., 2013; Pereira et al., 2013). Calculations are based on an optical set of photospheric phase spectra (see Parrent et al. 2012) and are true-to-scale. Bands of color are intended to show overlap between lines under the simplified however informative assumption of permitted line scattering under homologous expansion. Some of the weaker lines have not been highlighted for clarity. * • Even without considering weak contributions, at no place along the (UV$-$) optical$-$NIR spectrum is any observed feature removed from being due to less than 2 sources (more precisely, see also Bongard et al. 2008). That is, under the basic assumptions of pure resonance line scattering and homologous expansion (Figure 2), all features are complex blends of at least 2$+$ ions and are universally influenced by multiple regions of emitting and/or absorbing material (e.g., “high[-er] velocity” and “photospheric velocity” intervals of material, see also Marion et al. 2013). * • For supernovae, the components of the spectrum are most easily constrained via spectrum synthesis, and subsequently measurable (not the converse), when the bounds of wavelength coverage, $\lambda$a and $\lambda$b, are between $\sim$2000$-$3500 and 12000 Å, respectively. If $\lambda$b $<$ 7500$-$9500 Å, then the velocities and relative strengths of several physically relevant ions (e.g., C I, O I, Mg II, and Ca II) are said to be devoid of useful constraint and provide a null (or uncertain) measurement for every other overlapping spectral line signature (i.e. all features). That is, in order to viably “identify” and measure a single feature, the entire spectrum must be reproduced. While empirical measurements of certain absorption features are extremely useful for identifying trends in the observed behavior of SN Ia, these methods do not suffice to measure the truest underlying atomic recipe and its time-dependent behavior, much less the “strength” of contributing lines (e.g., multiple velocity components of Si II in SN 2012fr, §4.2.2). Specifically, empirical feature strength measurements at least require a proper modeling of the non-blackbody, IPE-dominated pseudo continuum level (Bongard et al., 2008) or the use of standardized relative strength parameters (e.g., Childress et al. 2013b). * • Therefore, as in Figure 2, employing stacked Doppler velocity scaled time series spectra provides useful and timely first-order comparative estimates for when (epoch) and where (projected Doppler velocity) contributing ions appear, disappear, and span as the photospheric region recedes inward over time. We speak on this only to point out that even simple questions$-$particularly for homogeneous SN Ia$-$are awash in detection/non-detection ambiguities. However, it should be noted that a powerful exercise in testing uncertain line identifications and resolving complex blends can be done, in part, without the use of additional synthetic spectrum calculations. That is, by comparing a single observed spectrum to that of other well-observed SN Ia, where the analysis of the latter offers a greater context for interpretation than the single spectrum itself, one can deduce whether or not a “mystery” absorption feature is common to most SN Ia in general. On the other hand, if a matching absorption feature is not found, then one can infer the presence of either a newly identified, compositionally consistent ion or the unblended line of an already accounted for species (resulting from forbidden line emission, non-LTE effects, and/or when line strengths or expansion velocities differ between subtypes). Given also the intrinsic dispersion of expansion opacities between SN Ia, it is likely that an “unidentified” feature is that of a previously known ion at higher and/or lower velocities. It is this interplay between expansion opacities and blended absorption features that keep normal and some peculiar SN Ia within the description of a homogenous set of objects, however different they may appear. In fact, when one compares the time series spectra of a broad sample of SN Ia subtypes, however blended, there is little room for degeneracy among plausible ion assignments (sans IPEs, e.g., Fe II versus Cr II during post-maximum phases). In other words, there exists a unique set of ions, common to most SN Ia atmospheres, that make up the resulting spectrum, where differences in subtype are associated with differences in temperature and/or the abundance tomography of the outermost layers (Tanaka et al., 2008). The atomic species listed in Figure 3 do not so much represent a complete account of the composition, or the “correct” answer, as they are consistent with the subsequent time evolution of the spectrum toward maximum light, and therefore serve to construct characteristic standards for direct comparative diversity assessments. Said another way, it is the full time series dataset that enables the best initial spectrum solution hypothesis, which can be further tested and refined for the approximate measurement of SN Ia features (Branch et al., 2007a). Therefore, this idea of a unique set of ions remains open since$-$with current limiting datasets$-$species with minimal constraint _and_ competing line transfer processes can be ambiguously present141414See Fig. 9 of Stritzinger et al. (2013) to see clear detections of permitted Co II lines in the NIR spectra of the peculiar and faint SN 2010ae., even for data with an infinite S/N (i.e. sources with few strong lines, or lines predominately found blue ward of $\sim$6100 Å, e.g., C III, O III, Si IV, Fe I, Co II, Ni II). One can still circumvent these uncertainties of direct analysis by either using dense time series observations (e.g., Parrent et al. 2012) or by ruling out spurious inferred detections by including adjacent wavelength regions into the spectroscopic analysis (UV$-$optical$-$NIR; see Foley et al. 2012b; Hsiao et al. 2013; Mazzali et al. 2013). ### 2.3 Models A detailed account of SN Ia models is beyond the scope of our general review of SN Ia spectra (for the latest discussions, see Wang & Han 2012; Nomoto et al. 2013; Hillebrandt et al. 2013; Calder et al. 2013; Maoz et al. 2013). However, in order to understand the context by which observations are taken and synthetic comparisons made, here we only mention the surface layer of matters relating to observed spectra. For some additional recent modeling work, see Fryer & Diehl (2008), Bravo et al. (2009), Jordan et al. (2009), Kromer et al. (2010), Blondin et al. (2011), Hachisu et al. (2012), Jordan et al. (2012), Pakmor et al. (2013), Seitenzahl et al. (2013), Dan et al. (2013), Kromer et al. (2013b), Moll et al. (2013), and Raskin et al. (2013). Realistic models are not yet fully ready because of the complicated physical conditions in the binary stellar evolution that leads up to an expanding SN Ia atmosphere. For instance, the explosive conditions of the SN Ia problem take place over a large dynamic range of relevant length-scales (RWD $\sim$ 1R⊕ and flame-thicknesses of $\sim$ 0.1 cm; Timmes & Woosley 1992; Gamezo et al. 1999), involve turbulent flames that are fundamentally multi-dimensional (Khokhlov, 1995, 2000; Reinecke et al., 2002a, b; Gamezo et al., 2003, 2005; Seitenzahl et al., 2013), and consist of uncertainties in both the detonation velocity (Domínguez & Khokhlov, 2011) and certain nuclear reaction rates, especially 12C$+$12C (Bravo et al. 2011, however see also Bravo & Martínez- Pinedo 2012; Chen et al. 2013). Most synthetic spectra are angle-averaged representations of higher- dimensional detailed models. Overall, the observed spectra of normal SN Ia have differed less amongst themselves than that of some detailed models compared to the data of _normal_ SN Ia. This is not from a lack of efforts, but is simply telling of the inherent difficulty of the problem and limiting assumptions and interests of various calculations. Kasen et al. (2008) reviewed previous work done of N-dimensional SN Ia models and presented the first high-resolution 3D calculation of a SN Ia spectrum at maximum light. Their results are still in a state of infancy, however they represent the first step toward the ultimate goal of SN Ia modeling, i.e. to trace observed SN Ia properties and infer the details of the progenitor and its subsequent disruption by comparing 3D model spectra and light curves of 3D explosion simulations with the best observed temporal datasets. Still, progress has been made in understanding general observed properties of SN Ia and their relation to predictions of simulated explosion models. For example, one-dimensional (1D) numerical models of SN Ia have been used in the past to test the possible explosion mechanisms such as subsonic flame or supersonic detonation models, as well as conjoined delayed-detonations (e.g., Arnett 1968; Nomoto et al. 1984; Lentz et al. 2001a). The one-dimensional models disfavor the route of a pure thermonuclear detonation as the mechanism to explain most SN Ia events (Hansen & Wheeler, 1969; Arnett, 1969; Axelrod, 1980). Such a mechanism produces mostly 56Ni and almost none of the IMEs observed in the spectra of all SN Ia (e.g., Branch et al. 1982; Filippenko 1997; Gamezo et al. 1999; Pastorello et al. 2007a). However, one-dimensional models have shown that a detonation _can_ produce intermediate mass elements if it propagates through a Chandrasekhar-mass WD that has pre-expanded during an initial deflagration stage (Khokhlov, 1991a; Yamaoka et al., 1992; Khokhlov et al., 1993; Arnett & Livne, 1994a, b; Wheeler et al., 1995; Hoflich et al., 1995; Khokhlov et al., 1997). To their advantage, these deflagration-to-detonation transition (DDT) and pulsating delayed-detonation (PDD) models _are_ able to reproduce the observed characteristics of SN Ia, however not without the use of an artificially-set transition density between stages of burning (Khokhlov, 1991b; Hoflich et al., 1995; Lentz et al., 2001a, b; Baron et al., 2008; Bravo et al., 2009; Dessart et al., 2013a). Subsequently, a bulk of the efforts within the modeling community has been the pursuit of conditions or mechanisms which cause the burning front to naturally transition from a sub-sonic deflagration to a super-sonic detonation, e.g., gravitationally confined detonations (Jordan et al., 2009), prompt detonations of merging WDs, a.k.a. “peri-mergers” (Moll et al., 2013). With the additional possibility that the effectively burned portion of the progenitor is enclosed or obscured by some body of circumstellar or envelope/disk of material (see Sternberg et al. 2011; Foley et al. 2012a; Förster et al. 2012; Scalzo et al. 2012; Raskin & Kasen 2013; Silverman et al. 2013d; Dan et al. 2013; Dessart et al. 2013a; Moll et al. 2013), the intrinsically multi-dimensional nature of the explosion itself is also expected to manifest signatures of asymmetric plumes of burned material and pockets of unburned material within a spheroidal debris field of flexible asymmetries (see Khokhlov 1995; Niemeyer & Hillebrandt 1995; Gamezo et al. 2004; Wang & Wheeler 2008; Patat et al. 2009; Kasen et al. 2009). Add to this the degeneracy of SN Ia flux behaviors, i.e. colors are sensitive to dust/CSM extinction and intrinsic dispersions in the same direction (Tripp & Branch, 1999), whether large or small redshift-color dependencies (Saha et al., 1999; Jha et al., 1999; Parodi et al., 2000; Wang et al., 2008a; Goobar, 2008; Wang et al., 2009a; Foley & Kasen, 2011; Mohlabeng & Ralston, 2013), and we find the true difficulty in constraining SN Ia models. Blondin et al. (2013) recently presented and discussed the photometric and spectroscopic properties at maximum light of a sequence of 1D DDT explosion models, with ranges of synthesized 56Ni masses between 0.18 and 0.81 M⊙. In addition to showing broad consistencies with the diverse array of observed SN Ia properties, the synthetic spectra of Blondin et al. (2013) predict weaker absorption features of unburned oxygen (O I $\lambda$7774) at maximum light, in proportion to the amount of 56Ni produced. This is to be expected (Hoflich et al., 1995), however constraints on the remaining amount of unburned material, in addition to its temporal behavior, are more readily seen during the earliest epochs (within the outermost layers of ejecta) via C II $\lambda$6580 and O I $\lambda$7774 (Thomas et al., 2007; Parrent et al., 2011; Nugent et al., 2011). Consequently, temporal spectrum calculations of detailed explosion models are needed for the purposes of understanding why the properties of SN Ia are most divergent well before maximum light (Branch et al., 2006; Dessart et al., 2013a). Nucleosynthesis in two-dimensional (2D) delayed detonation models of SN Ia were explored by Maeda et al. (2010a). In particular, they focused on the distribution of species in an off-center DDT model and found the abundance tomography to be stratified, with an inner region of 56Ni surrounded by an off-center shell of electron-capture elements (e.g., Fe54, Ni58). Later, Maeda et al. (2010b) investigated the late time emission profiles associated with this off-center inner-shell of material within several observed SN Ia and found a correlation between _possible_ nebular-line Doppler shifts along the line-of-sight and the rate-of-decline of Si II velocities at earlier epochs. Their interpretation is to suggest that some SN Ia subtypes may represent two different hemispheres of the “same” SN Ia (LVG vs. HVG subtypes; see §3.2). Moreover, the findings of Maeda et al. (2010b) and Maund et al. (2010b) remain largely consistent with the additional early and late time observations of the well-observed SN 2011fe (Smith et al., 2011; McClelland et al., 2013) and those of larger SN Ia samples (Blondin et al., 2012; Silverman et al., 2013a). However, even the results of Maeda et al. (2010b) and others that rely on spectroscopic measurements at all epochs are not without reservation given that late time emission profiles are subject to more than line-shifts due to Doppler velocities and ionization balance (Bongard et al., 2008; Friesen et al., 2012). Seitenzahl et al. (2013) presented 14 3-dimensional (3D) high resolution Chandrasekhar-mass delayed-detonations that produce a range of 56Ni (depending on the location of ignition points) between $\sim$ 0.3 and 1.1 M⊙. For this set of models, unburned carbon extends down to 4000 km s-1 while oxygen is not present below 10,000 km s-1. Seitenzahl et al. (2013) conclude that if delayed-detonations are to viably produce normal SN Ia brightnesses, the region of ignition cannot be far off-center so as to avoid the over-production of 56Ni. As noted by Seitenzahl et al. (2013), these models warrant tests via spectrum synthesis given their 3D nature and possible predictive relations to the WLR, spectropolarimetry, and C$+$O “footprints” (Howell et al., 2001; Baron et al., 2003; Thomas et al., 2007; Wang & Wheeler, 2008). Dessart et al. (2013a) recently compared synthetic light curves and spectra of a suite of DDT and PDD models. Based on comparisons to SN 2002bo and SN 2011fe, two SN Ia of different spectroscopic subtypes, and based on poor to moderate agreement between recent DDT models and observed SN Ia diversity (Blondin et al., 2011), Dessart et al. (2013a) convincingly argue that these two SN Ia varieties (LVG vs. HVG, as above) are dissimilar enough to be explained by different explosion scenarios and/or progenitor systems (Wang et al., 2013c). For SN Ia in general, delineating spectroscopic diversity has been a difficult issue (Benetti et al., 2005; Branch et al., 2009), and has only recently been made clear with the belated release of decades-worth of unpublished data (Blondin et al., 2012; Silverman et al., 2012c). ## 3 Spectroscopic Diversity of SN Ia Observationally and particularly at optical wavelengths, SN Ia increase in brightness over $\sim$13 to 23 days before reaching maximum light ($\overline{t}_{rise}$ = 17.38 $\pm$ 0.17; Hayden et al. 2010b). However, it is not until $\sim$1 year later that the period of observation is said to be “complete.” From the time of the explosion our perspective as outside observers begins at the outermost layers if the SN Ia is caught early enough. In the approximate sense, this is because the line-forming region (the “photosphere”) recedes as the ejecta expand outward, which in turn means that the characteristic information for each explosion mechanism and progenitor channel is specified by the temporal spectrophotometric attributes of the “inner” and “outer” layers of freshly synthesized and remaining primordial material. In addition, because the expanding material cools as it expands, the net flux of photons samples different layers (of different states and distributions) over time. And since the density profile of the material roughly declines from the center outward, significant changes within the spectra for an individual SN Ia take place daily before or near maximum light, and weekly to monthly thereafter. Documenting the breadth of temporal spectroscopic properties for each SN Ia is not only useful for theoretical purposes, but is also necessary for efficiently typing and estimating the epoch of newly found possible supernova candidates before they reach maximum light. Several supernova identification tools have been made that allow for fair estimates of both subtype and epoch (e.g., SNID; Blondin & Tonry 2007, Gelato; Harutyunyan et al. 2008, Superfit; Howell et al. 2005). In addition, the spectroscopic goodness-of-fit methods of Jeffery et al. (2007) allow one to find the “nearest neighbors” of any particular SN Ia within a sample of objects, enabling the study of so called “transitional subtype” SN Ia (those attributed with contrasting characteristics of two or more subtypes). ### 3.1 Data Fig. 4 : Continual spectroscopic follow-up efficiencies for the most “well- observed” SN Ia at early phases (not counting multiple spectra per day). Some of the values reported may be slightly lower for instances of unpublished data. Dashed lines represent the upper-limit spectroscopic efficiencies and peak number of pre-maximum light spectra for one and two day follow-up cadences during the first 25 days post-explosion. See §3.1. One of the major limitations of spectroscopic studies has been data quality. For example, the signal-to-noise ratio, S/N, of a spectrum signifies the quality across wavelength and is usually moderate to high for high-z events. Similarly, and at least for low-z SN Ia, there should exist a quantity that specifies the density of spectra within a time series dataset. We suggest $\mathcal{S}$/$\mathcal{N}$$\bullet$($\mathcal{P}$) $\equiv$ the number of _continual_ follow-up spectra / the mean number of nights passed between exposures $\bullet$ (total number of spectra _prior_ to maximum light). In Figure 4 we apply this quantity to literature data. An ideal dataset consisting of 25 spectra during the first 25 days post- explosion would yield $\mathcal{S}$/$\mathcal{N}$$\bullet$($\mathcal{P}$) = 25 (16) (e.g., SN 2011fe), whereas a dataset of spectra at days $-$12, $-$10, $-$7, $-$4, $+$0, $+$3, $+$8, $+$21, $+$48, $+$119 (a common occurrence) would be said to have $\mathcal{S}$/$\mathcal{N}$$\bullet$($\mathcal{P}$) = 3.3 (4) plus follow-up at days $+$21, $+$48, and $+$119\. By including the total number of spectra prior to maximum light in parentheses, we are anticipating those cases where $\mathcal{S}$/$\mathcal{N}$ = 1, but with $\mathcal{P}$ = 3, e.g., a dataset with days $-$12, $-$9, and $-$6 observed. It may serve a purpose to also add second and third terms to this quantity that take into account the number of post-maximum light and late time spectra. Regardless of moniker and definition, a quantity that specifies the density of spectra observed during the earliest epochs would aid in determining, quantitatively, which datasets are most valuable for various SN Ia diversity studies. Clearly such a high follow-up rate for slow-evolving events (e.g., SN 2009dc) or events caught at maximum light are not as imperative. However, when SN Ia are found and typed early, a high $\mathcal{S}$/$\mathcal{N}$ ensures no loss of highly time sensitive information, e.g., when high velocity features and C$+$O signatures dissipate. Since most datasets are less than ideal for detailed temporal inspections of many events (by default), astronomers have instead relied upon comparative studies (§3.2); those that maximize sample sizes by prioritizing the most commonly available spectroscopic observables, e.g., line velocities of 6100 Å absorption minima near maximum light. Another limitation of spectroscopic studies has been the localized release of all published data. The Online Supernova Spectrum Archive (SuSpect151515http://suspect.nhn.ou.edu/~suspect/; Richardson et al. 2001) carried the weight of addressing data foraging during the past decade, collecting a total of 867 SN Ia spectra (1741 SN spectra in all). Many of these were either at the request of or donation to SuSpect, while some other spectra were digitized from original publications in addition to original photographic plates (Casebeer et al., 1998, 2000). Prior to and concurrent with SuSpect, D. Jeffery managed a collection of SUpernova spectra PENDing further analysis (SUSPEND161616http://nhn.nhn.ou.edu/~jeffery/astro/sne/spectra/spectra.html). With the growing need for a manageable influx of data, the Weizmann Interactive Supernova Data Repository (WISeREP171717www.weizmann.ac.il/astrophysics/wiserep/; Yaron & Gal-Yam 2012) has since served as a replacement and ideal central data hub, and has increased the number of SN Ia spectra to 7661 (with 7933 publicly available SN spectra out of 13,334 in all). We encourage all groups to upload published data to WISeREP, whether or not made available elsewhere. #### 3.1.1 Samples By far the largest data releases occurred during the past five years, and are available on WISeREP and their affiliated archives. Matheson et al. (2008) and Blondin et al. (2012) presented 2603 optical spectra ($\sim$3700$-$7500 Å on average) of 462 nearby SN Ia ($\tilde{z}$ = 0.02; $\sim$ 85 Mpc) obtained by the Center for Astrophysics (CfA) SN group with the F. L. Whipple Observatory from 1993 to 2008. They note that, of the SN Ia with more than two spectra, 313 SN Ia have eight spectra on average. Silverman et al. (2012a) and the Berkeley SuperNova Ia Program (BSNIP) presented 1298 optical spectra ($\sim$3300$-$10,400 Å on average) of 582 low-redshift SN Ia (z $<$ 0.2; $\sim$ 800 Mpc) observed from 1989 to 2008. Their dataset includes spectra of nearly 90 spectroscopically peculiar SN Ia. Folatelli et al. (2013) released 569 optical spectra of 93 low-redshift SN Ia ($\tilde{z}$ $\sim$ 0.04; $\sim$ 170 Mpc) obtained by the Carnegie Supernova Project (CSP) between 2004 and 2009. Notably, 72 CSP SN Ia have spectra earlier than 5 days prior to maximum light, however only three SN Ia have spectra as early as day $-$12. These samples provide a substantial improvement and crux by which to explore particular issues of SN Ia diversity. However, the remaining limitation is that our routine data collection efforts continue to yield several thousand SN Ia with few to several spectra by which to dissect and compare SN Ia atmospheres. #### 3.1.2 Comparisons of “Well-Observed” SN Ia Fig. 5 : Early pre-maximum light, rest frame optical spectra of some of the most well-observed and often referenced SN Ia are plotted, loosely in order of increasing $\Delta$m15(_B_) (top-down). Subtypes shown include bright SN 2006gz, 2009dc-like super-Chandrasekhar candidate (SCC; purple), high- ionization, shallow-silicon SN 1991T-like (SS; red), normal SN 1994D, 2005cf, 2011fe-like (CN; black), broad-lined SN 1984A, 2002bo-like (BL; green), and sub-luminous, low-ionization SN 1991bg, 2004eo-like (CL; blue) SN Ia. The horizontal dashed lines represent our normalization bounds that were applied to each spectrum. This ensures a fair comparison of all relevant spectroscopic features, sans continuum differences. For the SS SN Ia, in Figure 5 and Figure 6 only, we have normalized to the Fe III feature as indicated. For the purposes of this review, we have only included SN Ia that have received particular attention within the literature (see §4 and the Appendix). Many other time series observations can be found in Matheson et al. (2008), Silverman et al. (2012c), and Blondin et al. (2012). The peculiar PTF09dav is shown in Figure 8 for comparison, as it is not a prototypical SN Ia, however appearing similar to SN 1991bg-like events (Sullivan et al., 2010; Kasliwal et al., 2012). Fig. 6 : 1-week pre-maximum light optical spectroscopic comparisons. See Figure 5 caption. Fig. 7 : Maximum light optical spectroscopic comparisons. See Figure 5 caption. Fig. 8 : 1-week post-maximum light optical spectroscopic comparisons. See Figure 5 caption. Fig. 9 : two weeks post-maximum light optical spectroscopic comparisons. See Figure 5 caption. Fig. 10 : 1-month post-maximum light optical spectroscopic comparisons. See Figure 5 caption. Fig. 11 : 2-months post-maximum light optical spectroscopic comparisons. See Figure 5 caption. Fig. 12 : 100$+$ days post-maximum light optical spectroscopic comparisons. See Figure 5 caption. Fig. 13 : Late-time optical spectroscopic comparisons. See Figure 5 caption. Given that both quantitative and qualitative spectrum comparisons are at the heart of SN Ia diversity studies, in Figure 5 \- Figure 13 we plot spectroscopic temporal snapshots for as many “well-observed” SN Ia as are currently available on WISeREP (Tables 1 and 2). Because the decline parameter, $\Delta$m15(_B_), remains a useful parameter for probing differences of synthesized 56Ni mass, properties of the ejecta, limits of CSM interaction, etc., we have _loosely_ ordered the spectra with increasing $\Delta$m15(_B_) (top-down) based on average values found throughout the literature (Tables 3$-$6) and M${}_{\emph{B}}$(peak) considerations for cases that are reported as having the same $\Delta$m15(_B_). The spectra have been normalized with respect to 6100 Å line profiles in order to amplify relative strengths of the remaining features (see caption of Figure 5). We also denote the spectroscopic subtype for each object in color in order to show the overlap of these properties between particular SN Ia subclasses (see §3.2 and Blondin et al. 2012). By inspection, the collected spectra show how altogether different and similar SN Ia (both odd and normal varieties) have come to be since nearly 32 years ago. With regard to the recent modeling of Blondin et al. (2013) and their accompanying synthetic spectra, we plot the spectra in Figure 5 \- Figure 11 in the flux-representation of $\lambda^{2}$Fλ for ease of future comparisons. These juxtapositions should reveal the severity of the SN Ia diversity problem as well as the future of promising studies and work that lie ahead. ### 3.2 Deciphering 21st Century SN Ia Subtypes Observationally, the whole of SN Ia are hetero-, homogeneous events (Oke & Searle, 1974; Filippenko, 1997); some of the observed differences in their spectra are clear, while other suspected differences are small enough to fall below associable certainty. Because of this, observational studies have concentrated on quantitatively organizing a mapping between the most peculiar and normal events. In this section our aim is to review SN Ia subtypes. In all, three observational classification schemes will be discussed (Benetti et al., 2005; Branch et al., 2006; Wang et al., 2009a), as well as the recent additions of so-called over- and sub-luminous events (see Scalzo et al. 2012, Foley et al. 2013, Silverman et al. 2013d and references therein). For other relatively new and truly peculiar subclasses of supernova transients, we refer the reader to Shen et al. (2010), Kasliwal et al. (2012) and references therein. #### 3.2.1 Benetti et al. (2005) Classification Understanding the origin of the WLR is a key issue for understanding the diversity of SN Ia light curves and spectra, as well as their use as cosmological distance indicators. Brighter SN Ia with broader light curves tend to occur in late-type spiral galaxies, while dimmer, faster declining SN Ia are preferentially located in an older stellar population and thus the age and/or metallicity of the progenitor system may be relevant factors affecting SN Ia properties (Hamuy et al. 1995; Howell 2001; Pan et al. 2013, see also Hicken et al. (2009a)). With this in mind, Benetti et al. (2005) studied the observational properties of 26 well-observed SN Ia (e.g., SN 1984A, 1991T, 1991bg, 1994D) with the intent of exploring SN Ia diversity. Based on the observed projected Doppler velocity evolution from the spectra181818The velocity gradient$-$the mean velocity decline rate $\Delta$v/$\Delta$t$-$of a particular absorption minimum (e.g., v̇${}_{Si\ II}$) has been redefined to be measured over a fixed phase range [t0, t1] (Blondin et al., 2012)., in conjunction with characteristics of the light curve (MB, $\Delta$m15), Benetti et al. (2005) considered three different groups of SN Ia: (1) “FAINT” SN 1991bg-likes, (2) “low velocity gradient” (LVG) SN 1991T/1994D-likes, and (3) “high velocity gradient” (HVG) SN 1984A-like events. The velocity gradient here is based on the time- evolution of 6100 (“6150”) Å absorption minima as inferred from Si II $\lambda$6355 line velocities. Overall, HVG SN Ia have higher mean expansion velocities than FAINT and LVG SN Ia, while LVG SN Ia are brighter than FAINT and HVG SN Ia on average (Silverman et al., 2012b; Blondin et al., 2012). Given an apparent separation of SN Ia subgroups from this sample of 26 objects, Benetti et al. (2005) considered it as evidence that LVG, HVG, and FAINT classifications signify three distinct kinds of SN Ia. #### 3.2.2 Branch et al. (2006) Classification Branch et al. (2005, 2006, 2007b, 2008, 2009) published a series of papers based on systematic, comprehensive, and comparative direct analysis of normal and peculiar SN Ia spectra at various epochs with the parameterized supernova synthetic spectrum code, SYNOW191919SYNOW is a simplified spectrum synthesis code used for the timely determination and measurement of all absorption features complexes. SYNOW has been updated (SYN++) and can be used as an automated spectrum fitter (SYNAPPS; see Thomas et al. 2011a and https://c3.lbl.gov/es/). (Fisher, 2000; Branch et al., 2007a). From the systematic analysis of 26 spectra of SN 1994D, Branch et al. (2005) infer a compositional structure that is radially stratified, overall. In addition, several features are consistent with being due to permitted lines well into the late post-maximum phases ($\sim$120 days, see Branch et al. 2008; Friesen et al. 2012). Another highlight of this work is that, barring the usual short comings of the model, SYNOW is shown to provide a necessary consistency in the _direct_ quantification of spectroscopic diversity (Branch et al., 2007a). Consequently, the SYNOW model has been useful for assessing the basic limits of a spectroscopic “goodness of fit” (Figure 3), with room for clear and obvious improvements (Friesen et al., 2012). In their second paper of the series on comparative direct analysis of SN Ia spectra, Branch et al. (2006) studied the spectra of 24 SN Ia close to maximum light. Based on empirical pEW measurements of 5750, 6100 Å absorption features, in addition to spectroscopic modeling with SYNOW, Branch et al. (2006) organized SN Ia diversity by four spectroscopic patterns: (1) “Core- Normal” (CN) SN 1994D-likes, (2) “Broad-line” (BL), where one of the most extreme cases is SN 1984A, (3) “Cool” (CL) SN 1991bg-likes, and (4) “Shallow- Silicon” (SS) SN 1991T-likes. In this manner, a particular SN Ia is defined by its spectroscopic similarity to one or more SN Ia prototype via 5750, 6100 Å features. These spectroscopic subclasses also materialized from analysis of pre-maximum light spectra (Branch et al., 2007b). The overlap between both Benetti et al. (2005) and Branch et al. (2006) classifications schemes comes by comparing Table 1 in Benetti et al. (2005) to Table 1 of Branch et al. (2006), and it reveals the following SN Ia descriptors: HVG$-$BL, LVG$-$CN, LVG$-$SS, and FAINT$-$CL. This holds true throughout the subsequent literature (Branch et al., 2009; Folatelli et al., 2012; Blondin et al., 2012; Silverman et al., 2012b). In contrast with Benetti et al. (2005) who interpreted FAINT, LVG, and HVG to correspond to the “discrete grouping” of _distinctly separate_ SN Ia origins among these subtypes, Branch et al. (2006) found a continuous distribution of properties between the four subclasses defined above. We should point out that this classification scheme of Branch et al. (2006) is primarily tied to the notion that SN Ia spectroscopic diversity is related to the temperature sequence found by Nugent et al. 1995. That is, despite the contrast with Benetti et al. (2005) (continuous versus discrete subgrouping of SN Ia), so far these classifications say more about the state of the ejecta than the various number of possible progenitor systems and/or explosion mechanisms (see also Dessart et al. 2013a). Furthermore, the existence of “transitional” subtype events support this notion (e.g., SN 2004eo, 2006bt, 2009ig, 2001ay, and PTF10ops; see appendix). Branch et al. (2009) later analyzed a larger sample of SN Ia spectra. They found that SN 1991bg-likes are not a physically distinct subgroup (Doull & Baron, 2011), and that there are probably many SN 1999aa-like events (A.5) that similarly may not constitute a physically distinct variety of SN Ia. With regard to the fainter variety of SN Ia, Doull & Baron (2011) made detailed comparative analysis of spectra of peculiar SN 1991bg-likes. They also studied the intermediates, such as SN 2004eo (A.23), and discussed the spectroscopic subgroup distribution of SN Ia. The CL SN Ia are dim, undergo a rapid decline in luminosity, and produce significantly less 56Ni than normal SN Ia. They also have an unusually deep and wide trough in their spectra around 4200 Å suspected as due to Ti II (Filippenko et al., 1992b), in addition to a relatively strong 5750 Å absorption (due to more than Si II $\lambda$5972; see Bongard et al. 2008). Doull & Baron (2011) analyzed the spectra of SN 1991bg, 1997cn, 1999by, and 2005bl using SYNOW, and found this group of SN Ia to be fairly homogeneous, with many of the blue spectral features well fit by Fe II. #### 3.2.3 Wang et al. (2009a) Classification Based on the maximum light expansion velocities inferred from Si II $\lambda$6355 absorption minimum line velocities, Wang et al. (2009a) studied 158 SN Ia, separating them into two groups called “high velocity” (HV) and “normal velocity” (NV). This classification scheme is similar to those previous of Benetti et al. (2005) and Branch et al. (2006), where NV and HV SN Ia are akin to LVG$-$CN and HVG$-$BL SN Ia, respectively. That is, while the subtype notations differ among authors, memberships between these classification schemes are roughly equivalent (apart from outliers such as the HV-CN SN 2009ig, see Blondin et al. 2012). Explicitly, Benetti et al. (2005) and Wang et al. (2009a) subclassifications are based on empirically estimated mean expansion velocities near maximum light ($\pm$4 days; $\pm$500 $-$ 2000 km s-1) of 6100 Å features produced by an assumed single broad component of Si II. The notion of a single photospheric layer, much less a single-epoch snapshot, does not realistically account for the multilayered nature of spectrum formation (Bongard et al., 2008), its subsequent evolution post-maximum light (Patat et al., 1996; Scalzo et al., 2012), and potential relations to line-of-sight considerations (Maeda et al., 2010b; Blondin et al., 2011; Moll et al., 2013). In the strictest sense of SN Ia sub-classification, “normal” refers to _both_ of these subtypes since they differ foremost by a continuum of inferred mean expansion velocities and the extent of expansion opacities, simultaneously. Furthermore, note from a sample of 13 LVG and 8 HVG SN Ia that Benetti et al. (2005) found 10 $\lesssim$ v̇${}_{Si\ II}$ (km s-1 day-1) $\lesssim$ 67 ($\pm$7) and 75 $\lesssim$ v̇${}_{Si\ II}$ $\lesssim$ 125 ($\pm$20) for each, respectively. Similarly, and from a sample of 14 LVG and 29 HVG SN Ia, Silverman et al. (2012b) report that 10 $\lesssim$ v̇${}_{Si\ II}$ $\lesssim$ 445 ($\pm$50) and 15 $\lesssim$ v̇${}_{Si\ II}$ $\lesssim$ 290 ($\pm$140) for LVG and HVG events, respectively. Additionally, the pEW measurements of 5750, 6100 Å absorption features (among others) are seen to share a common convergence in observed values (Branch et al., 2006; Hachinger et al., 2006; Blondin et al., 2012; Silverman et al., 2012b). The continually consistent overlap between the measured properties for these two SN Ia “subtypes” implies that the notion of a characteristic separation value for v̇${}_{Si\ II}$ $\sim$ 70 km s-1 day-1 (including the inferred maximum light separation velocity, v0 $\gtrsim$ 12,000 km s-1) is still devoid of any physical significance beyond overlapping bimodal distributions of LVG$-$CN and HVG$-$BL SN Ia properties (see §5.3 of Silverman et al. 2012b, §5.2 of Blondin et al. 2012, and Silverman et al. 2012a). Rather, a continuum of _empirically measured_ properties exists between the extremities of these two particular _historically-based_ SN Ia classes (e.g., SN 1984A and 1994D). Given also the natural likelihood for a physical continuum between NV and HV subgroups, considerable care needs to be taken when concluding on underlying connections to progenitor systems from under-observed, early epoch snapshots of blended 6100 Å absorption minima. Hence, the primary obstacle within SN Ia diversity studies has been that it is not yet clear if the expanse of all observed characteristics of each subtype has been fully charted. For the observed properties of normal SN Ia, it is at least true that v̇${}_{Si\ II}$ resides between 10$-$445 km s-1 day-1, with a median value of $\sim$ 60$-$120 km s-1 day-1 (Benetti et al., 2005; Blondin et al., 2012; Silverman et al., 2012a), while the rise to peak _B_ -band brightness ranges from 16.3 to 19 days (Ganeshalingam et al., 2011; Mazzali et al., 2013). Recently, Wang et al. (2013c) applied this NV and HV subgrouping to 123 “Branch normal” SN Ia with known positions within their host galaxies and report that HV SN Ia more often inhabit the central and brighter regions of their hosts than NV SN Ia. This appears to suggest that a supernova with “higher velocities at maximum light” is primarily a consequence of a progenitor with larger than solar metallicities, or that PDD/HVG SN Ia are primarily found within the galactic distribution of DDT/LVG SN Ia (c.f. Blondin et al. 2011, 2012; Dessart et al. 2013a). This is seemingly in contrast to interpretations of Maeda et al. (2010b) who propose, based on both early epoch and late time considerations, that LVG and HVG SN Ia are possibly one in the same event where the LVG-to-HVG transition is ascribed to an off- center ignition. While it is true that increasing the C$+$O layer metallicity can affect the blueshift of the 6100 Å absorption feature$-$in addition to lower temperatures and increased UV line-blocking$-$this is not primarily responsible for the shift in 6100 Å absorption minima (Lentz et al., 2001a, b), where the dependence of this effect is not easily decoupled from changes in the temperature structure (Lentz et al., 2000). However, it is also worthwhile to point out that, while the early epoch spectra of SN 2011fe (a NV event) are consistent with a DDT-like composition with a sub-solar C$+$O layer metallicity (“W7+,” Mazzali et al. 2013) _and_ a PDD-like composition (Dessart et al., 2013a), the outermost layers of SN 2010jn (a HV event; A.41) are practically void of unburned material and subsequently already overabundant in synthesized metals for progenitor metallicity to be well determined (Hachinger et al., 2013). Therefore, discrepancies between NV and HV SN Ia must still be largely dependent on more than a single parameter, e.g. differences in explosion mechanisms (Dessart et al., 2013a; Moll et al., 2013), where progenitor metallicity is likely to be only one of several factors influencing the dispersions of each subgroup (Lentz et al., 2000; Höflich et al., 2010; Wang et al., 2012). It should be acknowledged again that metallicity-dependent aspects of stellar evolution are expected to contribute, in part, to the underlying variance of holistic SN Ia characteristics. However thus far, the seen discrepancies from metallicities share similarly uncertain degrees of influence as for asymmetry and line-of-sight considerations of ejecta-CSM interactions for a wide variety of SN Ia (Lentz et al., 2000; Kasen et al., 2003; Leloudas et al., 2013). Similar to this route of interpretation for SN Ia subtypes are active galactic nuclei and the significance of the broad absorption line quasi-stellar objects (BALQSOs, see de Kool & Begelman 1995; Becker et al. 1997; Elvis 2000; Branch et al. 2002a; Hamann & Sabra 2004; Casebeer et al. 2008; Leighly et al. 2009; Elvis 2012). #### 3.2.4 Additional Peculiar SN Ia Subtypes Spectroscopically akin to some luminous SS SN Ia are a growing group of events thought to be “twice as massive,” aka super-Chandrasekhar candidates (SCC, Howell et al. 2006; Jeffery et al. 2006; Hillebrandt et al. 2007; Hicken et al. 2007; Maeda et al. 2009; Chen & Li 2009; Yamanaka et al. 2009a; Scalzo et al. 2010; Tanaka et al. 2010; Yuan et al. 2010; Silverman et al. 2011; Taubenberger et al. 2011; Kamiya et al. 2012; Scalzo et al. 2012; Hachinger et al. 2012; Yamanaka et al. 2013). Little is known about this particular class of over-luminous events, which is partly due to there having been only a handful of events studied. Thus far, SCC SN Ia are associated with metal-poor environments (Childress et al., 2011; Khan et al., 2011a). Spectroscopically, the differences that set these events apart from normal SN Ia are fairly weak Si II/Ca II signatures and strong C II absorption features relative to the strength of Si II lines. Most other features are comparable in relative strengths to those of normal SN Ia, if not muted by either top-lighting or effects of CSM interaction (Branch et al., 2000; Leloudas et al., 2013), and are less blended overall due to lower mean expansion velocities. In addition, there is little evidence to suggest that SCC SN Ia spectra consist of contributions from physically separate high velocity regions of material ($\gtrsim$ 4000 km s-1 above photospheric). This range of low expansion velocities ($\sim$5000$-$18,000 km s-1), in conjunction with larger than normal C II absorption signatures, are difficult to explain with some MCh explosion models (Scalzo et al. 2012; Kamiya et al. 2012, however see also Hachisu et al. 2012; Dessart et al. 2013a; Moll et al. 2013 for related discussions). Silverman et al. (2013d) recently searched the BSNIP and PTF datasets, in addition to the literature sample, and compiled a list of 16 strongly CSM interacting SN Ia (referred to as “Ia-CSM” events). These supernovae obtain their name from a conspicuous signature of narrow hydrogen emission atop a weaker hydrogen P Cygni profile that together are superimposed on a loosely identifiable SS-like SN Ia spectrum (Aldering et al., 2006; Prieto et al., 2007; Leloudas et al., 2013). Apart from exhibiting similar properties to the recent PTF11kx (§4.5.1) and SN 2005gj (§4.5.3), Silverman et al. (2013d) find that SN Ia-CSM have a range of peak absolute magnitudes ($-$21.3 $\leq$ M${}_{\emph{R}}$ $\leq$ $-$19), are a spectroscopically homogenous class, and all reside in late-type spiral and irregular host-galaxies. As for peculiar sub-luminous events, Narayan et al. (2011) and Foley et al. (2013) discussed the heterogeneity of the SN 2002cx-like subclass of SN Ia. Consisting of around 25 members spectroscopically similar to SN 2002cx (Li et al., 2003), these new events generally have lower maximum light velocities spanning from 2000 to 8000 km s-1 and a range of peak luminosities that are typically lower than those of FAINT SN Ia ($-$14.2 to $-$18.9). In addition, this class of objects have “hot” temperature structures and$-$in contrast to SN Ia that follow the WLR$-$have low luminosities for their light curve shape. This suggests a distinct origin, such as a failed deflagration of a C$+$O white dwarf (Foley et al., 2009; Jordan et al., 2012; Kromer et al., 2013a) or double detonations of a sub-Chandrasekhar mass white dwarf with non-degenerate helium star companion (Fink et al., 2010; Sim et al., 2012; Wang et al., 2013a). It is estimated that for every 100 SN Ia, there are 31^$+$17_$-$13 peculiar SN 2002cx-like objects in a given volume (Foley et al., 2013). #### 3.2.5 SN Ia Subtype Summary Fig. 14 : Top: Peak absolute _B_ -band magnitudes versus $\Delta$m15(_B_) for most well-observed SN Ia found in the literature. Additional data (grey) taken from Folatelli et al. (2012), Blondin et al. (2012), and additional points discussed in Pakmor et al. (2013). Bottom: Expansion velocities at maximum light ($\pm$ 3 days; via Si II $\lambda$6355 line velocities) versus $\Delta$m15(_B_). All subtypes have been tagged in accordance with the same color-scheme as in Figure 5 \- Figure 13. Included for reference are the brightest, peculiar SN 2002cx-likes (light blue circles). Outliers for each subtype have been labeled for clarity and reference. We also plot mean values for the SCC and CL subtypes (larger circles), and include the mean values for SS, CN, and BL SN Ia (large diamonds) as reported by Blondin et al. (2012). In Figure 14 we plot average literature values of M${}_{\emph{B}}$(peak), $\Delta$m15(_B_), and $\mathcal{V}$peak(Si II $\lambda$6355) versus one another for all known SN Ia subtypes. For M${}_{\emph{B}}$(peak) versus $\Delta$m15(_B_), the WLR is apparent. We have included the brightest SN 2002cx-likes (Foley et al., 2013) for reference, as these events are suspected as having separate origins from the bulk of normal SN Ia (Hillebrandt et al., 2013). We have not included Ia-CSM events given that estimates of expansion velocities and luminosities, without detailed modeling, are obscured by CSM interaction. However, it suffices to say for Figure 14 that Ia-CSM are nearest to SS and SCC SN Ia in both projected Doppler velocities and peak M${}_{\emph{R}}$ brightness (Silverman et al., 2013d). At a separate end of these SN Ia diversity plane(s), $\mathcal{V}$peak(Si II $\lambda$6355) versus $\Delta$m15(_B_) further separates FAINT$-$CL SN Ia and peculiar events away from the pattern between SCC/SN 1991T-like over-luminous SN Ia and normal subtypes, where the former tend to be slow-decliners (i.e. typically brighter) with slower average velocities. To summarize the full extent of SN Ia subtypes in terms of the qualitative luminosity and expansion velocity patterns, in Figure 15 we have outlined how SN Ia relate to one another thus far (for quantitative assessments, see Blondin et al. 2012; Silverman et al. 2012b; Folatelli et al. 2013). Broadly speaking, the red ward evolution of SN Ia features span low to high rates of decline for a large range of luminosities. Shallow Silicon and Super- Chandrasekhar Candidate SN Ia are by far the brightest, while Ia-CSM SN exhibit bright H$\alpha$ emission features. These “brightest” SN Ia also show low to moderate expansion velocities and v̇${}_{Si\ II}$. From BL to CN to SS/SSC SN Ia, mean peak absolute brightnesses scale up with an overall decrease in maximum light line velocities. Meanwhile, CL SN Ia fall between low velocity and high velocity gradients, but lean toward HVG SN Ia in terms of their photospheric velocity evolution. Comparatively, peculiar SN 2002cx- like and other sub-luminous events are by far the largest group of thermonuclear outliers. Obtaining observations of SN Ia that lie outside the statistical norm is important for gauging the largest degree by which SN Ia properties diverge in nature. However, just as imperative for the cause remains filling the gaps of observed SN Ia properties (e.g., v̇${}_{Si\ II}$, vneb, vC(t), vCa(t), M${}_{\emph{B}}$(peak), $\Delta$m15(_B_ -band), trise, color evolution) with well-observed SN Ia. This is especially true for those SN Ia most similar to one another, aka “nearest neighbors” (Jeffery et al., 2007), and transitional- type SN Ia. Fig. 15 : Subtype reference diagram. Dashed lines denote an open transitional boundary between adjacent spectroscopic subtypes. ### 3.3 Signatures of C$+$O Progenitor Material If the primary star of most SN Ia is a C$+$O WD, and if the observed range of SN Ia properties is primarily due to variances in the ejected mass or abundances of material synthesized in the explosion (e.g., 56Ni), then this should also be reflected in the remaining amount of carbon and oxygen if MCh is a constant parameter (see Maeda et al. 2010a; Blondin et al. 2013; Dessart et al. 2013a). On the other hand, if one assumes that the progenitor system is the merger of two stars (Webbink, 1984; Iben & Tutukov, 1984; Pakmor et al., 2013; Moll et al., 2013) or a rapidly rotating WD (Hachisu et al., 2012)$-$both of which are effectively obscured by an amorphous region and/or disk of C$+$O material$-$then the properties of C and O absorption features will be sensitive to the interplay between ejecta and the remaining unburned envelope (see Livio & Pringle 2011). Oxygen absorption features (unburned plus burned ejecta) are often present as O I $\lambda$7774 in the pre-maximum spectra of SN Ia (Figure 5). They may exhibit similar behavior to those seen in SN 2011fe (§4.1), however current datasets lack the proper temporal coverage of a large sample of events that would be necessary to confirm such claims. Still, comparisons of the blue-most wing in the earliest spectra of many SN Ia to that of SN 2009ig (§4.2.1), 2010jn (A.41), 2011fe (§4.1), 2012cg (A.43), and 2012fr (§4.2.2) may reveal some indication of HV O I if present and if caught early enough (e.g., SN 1994D; Branch et al. 2005). Spectroscopic detections of carbon-rich material have been documented since the discovery of SN 1990N (see Leibundgut et al. 1991; Jeffery et al. 1992; Branch et al. 2007b; Tanaka et al. 2008) and have been primarily detected as singly ionized in the optical spectra of LVG$-$CN SN Ia (Parrent et al., 2011). However, NIR spectra of some SN Ia subtypes have been suspected of harboring C I absorption features (Höflich et al. 2002; Hsiao et al. 2013, see also Marion et al. 2006, 2009a), while C III has been tentatively identified in “hotter” SS/SN 1991T-like SN Ia (Hatano et al., 2002; Garavini et al., 2004; Chornock et al., 2006). Observations of the over-luminous SCC SN 2003fg suggested the presence of a larger than normal C II $\lambda$6580 absorption signature (Howell et al., 2006). Later in 2006, with the detection of a _conspicuous_ C II $\lambda$6580 absorption “notch” in the early epoch observations of the normal SN Ia, SN 2006D, Thomas et al. (2007) reconsidered the question of whether or not spectroscopic signatures of carbon were a ubiquitous property of all or at least some SN Ia subtypes. As follow-up investigations, Parrent et al. (2011) and Folatelli et al. (2012) presented studies of carbon features in SN Ia spectra, particularly those of C II $\lambda\lambda$6580, 7234 (which are easier to confirm than $\lambda\lambda$4267, 4745). However weak, conspicuous 6300 Å absorption features were reported in several SN Ia spectra obtained during the pre- maximum phase. It was shown that most of the objects that exhibit clear signatures are of the LVG$-$CN SN Ia subtype, while HVG$-$BL SN Ia may either be void of conspicuous signatures due to severe line blending, or lack carbon altogether, the latter of which is consistent with DDT models (e.g., Hachinger et al. 2013) and could also be partially due to increased progenitor metallicities (Lentz et al., 2000; Meng et al., 2011; Milne et al., 2013). This requires further study and spectrum synthesis from detailed models. Thomas et al. (2011b) presented additional evidence of unburned carbon at photospheric velocities from observations of 5 SN Ia obtained by the Nearby Supernova Factory. Detections were based on the presence of relatively strong C II 6300 Å absorption signatures in multiple spectra of each SN, supported by automated fitting with the SYNAPPS code (Thomas et al., 2011a). They estimated that at least 22^+10_-6% of SN Ia exhibit spectroscopic C II signatures as late as day $-$5, i.e. carbon features, whether or not present in all SN Ia, are not often seen even as early as day $-$5. Folatelli et al. (2012) later searched through the Carnegie Supernova Project (CSP) sample and found at least 30% of the objects show an absorption feature that can be attributed to C II $\lambda$6580\. Silverman & Filippenko (2012) searched for carbon in the BSNIP sample and found that $\sim$ 11% of the SN Ia studied show carbon absorption features, while $\sim$ 25% show some indication of weak 6300 Å absorption. From their sample, they find that if the spectra of SN Ia are obtained before day $-$5, then the detection percentage is higher than $\sim$ 30%. Recently it has also been confirmed that “carbon-positive” SN Ia tend to have bluer near-UV colors than those without conspicuous C II $\lambda$6580 signatures (Thomas et al., 2011b; Silverman & Filippenko, 2012; Milne et al., 2013). Silverman & Filippenko (2012) estimate the range of carbon masses in normal SN Ia ejecta to be (2 $-$ 30) x 10-3 M⊙. For SN 2006D, Thomas et al. 2007 estimated 0.007 M⊙ of carbon between 10,000 and 14,000 km s-1 as a lower limit. Thomas et al. 2007 also note that the most vigorous model of Röpke et al. (2006) left behind 0.085 M⊙ of carbon in the same velocity interval. However, we are not aware of any subsequent spectrum synthesis for this particular model that details the state of an associated 6300 Å signature. In the recent detailed study on SN Ia spectroscopic diversity, Blondin et al. (2012) searched for signatures of C II $\lambda$6580 in a sample of 2603 spectra of 462 nearby SN Ia and found 23 additional “carbon-positive” SN Ia. Given that seven of the nine CN SN Ia reported by Blondin et al. (2012) with spectra prior to day $-$10 clearly exhibit signatures of C II, and that $\sim$30$-$40% of the SN Ia within their sample are of the CN subtype, it is likely that at least 30$-$40% of all SN Ia leave behind some amount of carbon- rich material, spanning velocities between 8000 $-$ 18,000 km s-1 (Parrent et al., 2011; Pereira et al., 2013; Cartier et al., 2013). Considering the volume-limited percentage of Branch normal SN Ia estimated by Li et al. (2011c), roughly 50% or more are expected to contain detectable carbon-rich material in the outermost layers. If this is true, then it implies that explosion scenarios that do not naturally leave behind at least a detectable amount (pEWs $\sim$ 5$-$25 Å) of unprocessed carbon can only explain half of all SN Ia or less (sans considerations of Ia-CSM progenitors, subtype-ejecta hemisphere dualities, and effects of varying metallicities; see below). Historically, time-evolving signatures of C II $\lambda\lambda$6580, 7234 from the _computed spectra of some detailed models_ have not revealed themselves to be consistent with the current interpretations of the observations. This could be due to an inadequate lower-extent of carbon within the models (Thomas et al., 2007; Parrent et al., 2011; Blondin et al., 2012) or the limits of the resolution for the computed spectra (Blondin et al., 2011). It should be noted that 6300 Å features _are_ present in the non-LTE pre- maximum light spectra of Lentz et al. (2000) who assessed metallicity effects on the spectrum for a pure deflagration model (see their Fig. 7). Overall, Lentz et al. (2000) find that an increase in C$+$O layer metallicities results in a decreased flux (primarily UV) in addition to a blue ward shift of absorption minima (primarily the Si II 6100 Å feature). While Lentz et al. (2000) did not discuss whether or not the weak 6300 Å absorption signatures are due to C II $\lambda$6580, it is likely the case given that an increase in C$+$O layer metallicities is responsible for the seen decrease in the strength of the 6300 Å feature. However, it should be emphasized that the “strength” of this supposed C II $\lambda$6580 feature appears to be a consequence of how Lentz et al. (2000) renormalized abundances for metallicity enhancements in the C$+$O layer. In other words, even though the preponderance of normal SN Ia with detectable C II $\lambda$6580 notches are of the NV subgroup, the fact that HV SN Ia are thus far void of 6300 Å notches _does not_ imply robust consistency with the idea that nearest neighbor HV SN Ia properties are solely the result of a progenitor with relatively higher metallicities (Lentz et al., 2001b). Such a claim would need to be verified by exploring a grid of models with accompanying synthetic spectra. Additionally, carbon absorption features could signify an origin that is separate from explosion nucleosynthesis if most SN Ia are the result of a merger. For example, Moll et al. (2013) recently presented angle-averaged synthetic spectra for a few “peri-merger” detonation scenarios. In particular, they find a causal connection between “normal” C II $\lambda$6580 signatures and the secondary star for both sub- and super-Chandrasekhar mass cases (c.f. Hicken et al. 2007; Zheng et al. 2013; Dessart et al. 2013a). With constraints from UV spectra (Milne et al., 2013) and high velocity features (§3.4), peri- megers can be used to explore the expanse of their spectroscopic influence within the broader picture of SN Ia diversity. Coincident with understanding the relevance of remaining carbon-rich material is the additional goal of grasping the spectroscopic role of species that arise from carbon-burning below the outermost layers, e.g., magnesium (Wheeler et al., 1998). While signatures of Mg II $\lambda\lambda$4481, 7890 are frequently observed at optical wavelengths during the earliest phases prior to maximum light, these wavelength regions undergo severe line-blending compared to the NIR signatures of Mg II. Consequently, Mg II $\lambda$10927 has served as a better investment for measuring the lower regional extent and conditions during which a DDT is thought to have taken place (e.g., Rudy et al. 2002; Marion et al. 2003, 2006, 2009a; Hsiao et al. 2013, however see our §4.1). ### 3.4 High Velocity ($>$16,000 km s-1) Features The spectra of many SN Ia have shown evidence for high-velocity absorption lines of the Ca II NIR triplet (IR3) in addition to an often concurrent signature of high-velocity Si II $\lambda$6355 (Mazzali et al., 2005a, b). Most recently, high velocity features (HVFs) have also been seen in SN 2009ig (Foley et al., 2012c), SN 2012fr (Childress et al., 2013c), and the SN 2000cx- like SN 2013bh (Silverman et al., 2013c). Overall, HVFs are more common before maximum light, display a rich diversity of behaviors (Childress et al., 2013b), tend to be concurrent with polarization signatures (Leonard et al., 2005; Tanaka et al., 2010), and may be due to an intrinsically clumpy distribution of material (Howell et al., 2001; Kasen et al., 2003; Thomas et al., 2004; Tanaka et al., 2006; Hole et al., 2010). Maund et al. (2010b) showed that the Si II $\lambda$6355 line velocity decline rate, v̇${}_{Si\ II}$, is correlated with the polarization of the same line at day $-$5, p${}_{Si\ II}$, and is consistent with an asymmetric distribution of IMEs. This interpretation is also complimentary with a previous finding that v̇${}_{Si\ II}$ is correlated with vneb, the apparent Doppler line shift of [Fe II] 7155 emitted from the “core” during late times (Maeda et al., 2010b; Silverman et al., 2013a). For the recent SN 2012fr, high velocity features of Ca II IR3 and Si II $\lambda$6355 at day $-$11 show concurrent polarization signatures that decline in strength during post-maximum light phases (Maund et al., 2013). As for the _origin_ of HVFs, they may be the result of abundance and/or density enhancements due to the presence of a circumstellar medium (Gerardy et al., 2004; Quimby et al., 2006b). If abundance enhancements are responsible, it could be explained by an overabundant, outer region of Si and Ca synthesized during a pre-explosion simmering phase (see Piro 2011 and Zingale et al. 2011). On the other hand, the HVFs in LVG SN Ia spectra could indicate the presence of an opaque disk. For example, it is plausible that HVFs are due to magnetically induced merger outflows (Ji et al. 2013, pending abundance calculations of a successful detonation), or interaction with a tidal tail and/or secondary star (e.g., Raskin & Kasen 2013; Moll et al. 2013). Most recently, Childress et al. (2013b) studied 58 low-z SN Ia (z $<$ 0.03) with well-sampled light curves and spectra near maximum light in order to access potential relationships between light curve decline rates and empirical relative strength measurements of Si II and Ca II HVFs. They find a consistent agreement with Maguire et al. (2012) in that the Ca II velocity profiles assume a variety of characteristics for a given $\Delta$m15(_B_) solely because of the overlapping presence of HVFs. In addition, Childress et al. (2013b) show for their sample that the presence of HVFs is not strongly related to the overall intrinsic (_B_ $-$ _V_)max colors. It is also seen that SN Ia with $\Delta$m15(_B_) $>$ 1.4 continue to be void of conspicuous HVFs, while the strength of HVFs in normal SN Ia is generally larger for objects with broader light curves. Finally, and most importantly, the strength of HVFs at maximum light does not uniquely characterize HVF pre-maximum light behavior. Notably, Silverman et al. (2013a) find no correlation between nebular velocity and $\Delta$m15(_B_), and for a given light-curve shape there is a large range of observed nebular velocities. Similarly Blondin et al. (2012) found no relation between the FWHM of late time 4700 Å iron emission features and $\Delta$m15(_B_). This implies the peak brightness of these events _do not_ translate toward uniquely specifying their late time characteristics, however the data do indicate a correlation between observed (B $-$ V)max and this particular measure of line-of-sight nebular velocities. We should also note that while HVG SN Ia do not clearly come with HVFs in the same sense as for LVG SN Ia, the entire 6100 Å absorption feature for HVG SN Ia spans across velocity intervals for HVFs detected in LVG SN Ia. This makes it difficult to regard LVG and HVG subtypes as two separately distinct explosion scenarios. Instead we can only conclude that HVFs are a natural component of all normal SN Ia, whether conspicuously separate from a photospheric region _or_ concealed as an extended region of absorbing material in the radial direction. ### 3.5 Empirical Diversity Diagnostics The depth ratio between 5750 and 6100 Å absorption features, $\mathcal{R}$(“Si II”) (Nugent et al., 1995), has been found to correlate with components of the WLR. In addition, Benetti et al. (2005) find a rich diversity of $\mathcal{R}$(Si II) pre-maximum evolution among LVG and HVG SN Ia. As for some observables _not_ directly related to the decline rate parameter, Patat et al. (1996) studied a small sample of well observed SN Ia and found no apparent correlation between the blue-shift of the 6100 Å absorption feature at the time of maximum and $\Delta$m15(_B_). Similarly, Hatano et al. (2000) showed that $\mathcal{R}$(Si II) does not correlate well with v10(Si II), the photospheric velocity derived from the Si II $\lambda$6355 Doppler line velocities 10 days after maximum light. This could arise from two or more explosion mechanisms, however Hatano et al. (2000) note that their interpretation is “rudimentary” on account of model uncertainties and the limited number of temporal datasets available at that time. In the future, it would be worthwhile to re-access these trends with the latest detailed modeling. Hachinger et al. (2006) made empirical measurements of spectroscopic feature pEWs, flux ratios, and projected Doppler velocities for 28 well-observed SN Ia, which include LVG, HVG, and FAINT subtypes. For normal LVG SN Ia they find similar observed maximum light velocities (via Si II $\lambda$6355; $\sim$ 9000$-$10,600 km s-1). Meanwhile the HVG SN Ia in their sample revealed a large spread of maximum light velocities ($\sim$ 10,300$-$12,500 km s-1), regardless of the value of $\Delta$m15(_B_). This overlap in maximum light velocities implies a natural continuum between LVG and HVG SN Ia (enabling unification through asymmetrical contexts; Maeda et al. 2010b; Maund et al. 2010b). They also note that FAINT SN Ia tend to show slightly smaller velocities at _B_ -band maximum for larger values of $\Delta$m15(_B_), however no overreaching trend of maximum light expansion velocities from LVG to HVG to FAINT SN Ia was apparent from this particular sample of SN Ia. Hachinger et al. (2006) did find several flux ratios to correlate with $\Delta$m15(B). In particular, they confirm that the flux ratio, $\mathcal{R}$(“S II $\lambda$5454, 5640”/“Si II $\lambda$5972”), is a fairly reliable spectroscopic luminosity indicator in addition to $\mathcal{R}$(Si II). Hachinger et al. (2006) conclude that these and other flux ratio comparisons are the result of changes in relative abundances across the three main SN Ia subtypes. In a follow-up investigation, Hachinger et al. (2009) argue that the correlation with luminosity is a result of ionization balance, where dimmer objects tend to have a larger value of $\mathcal{R}$(Si II). Silverman et al. 2012b later studied correlations between these and other flux ratios of SN Ia from the BSNIP sample and find evidence to suggest that CSM- associated events tend to have larger 6100 Å blue-shifts in addition to broader absorption features at the time of maximum light (see also Arsenijevic 2011; Foley et al. 2012a). Altavilla et al. (2009) studied the $\mathcal{R}$(Si II) ratio and expansion velocities of intermediate-redshift supernovae. They find that the comparison of intermediate-redshift SN Ia spectra with high S/N spectra of nearby SN Ia _do not_ reveal significant differences in the optical features and the expansion velocities derived from the Si II and Ca II lines that are within the range observed for nearby SN Ia. This agreement is also found in the color and decline of the light curve (see also Mohlabeng & Ralston 2013). While the use of empirically determined single-parameter descriptions of SN Ia have proved to be useful in practice, they do not fully account for the observed diversity of SN Ia (Hatano et al., 2000; Benetti et al., 2004; Pignata et al., 2004). With regard to SN Ia diversity, it should be reemphasized that special care needs to be taken with the implementation of flux ratios and pEWs. Detailed modeling is needed when attempting to draw connections between solitary characteristics of the observed spectrum and the underlying radiative environment, where a photon-ray’s route crosses many radiative contributions that form the spectrum’s various shapes, from UV to IR wavelengths. For example, the relied upon 5750, 6100 Å features used for $\mathcal{R}$(Si II) have been shown to be influenced by more than simply Si II, as well as from more locations (and therefore various temperatures) than a single region of line formation (Bongard et al., 2008). In fact, it is likely that a number of effects are at play, e.g., line blending and phase evolution effects. Furthermore, v10(Si II) is a measure of the 6100 Å absorption minimum during a phase of intense line blending with no less than Fe II, which imparts a bewildering array of lines throughout the optical bands (Baron et al., 1995, 1996). Still, parameters such as $\mathcal{R}$(Si II) have served as useful tools for SN Ia diversity studies in that they often correlate with luminosity (Bongard et al., 2006) and are relatively accessible empirical measurements for large samples of under-observed SN Ia. A detailed study on the selection of global spectral indicators can be found in Bailey et al. 2009. ### 3.6 The Adjacent Counterparts of Optical Wavelengths #### 3.6.1 Ultraviolet Spectra SN Ia are known as relatively “weak emitters” at UV wavelengths ($<$ 3500 Å; Panagia 2007). It has been shown that UV flux deficits are influenced by line- blanketing effects from IPEs within the outermost layers of ejecta (Sauer et al., 2008; Hachinger et al., 2013; Mazzali et al., 2013), overall higher expansion velocities (Foley & Kasen, 2011; Wang et al., 2012), progenitor metallicity (Höflich et al., 1998; Lentz et al., 2000; Sim et al., 2010b), viewing angle effects (e.g., Blondin et al. 2011), or a combination of these (Moll et al., 2013). Although, it is not certain which of these play the dominant role(s) in controlling UV flux behaviors among all SN Ia. For SN 1990N and SN 1992A, two extensively studied SN Ia, pre-maximum light UV observations were made and presented by Leibundgut et al. (1991) and Kirshner et al. (1993), respectively. These observations revealed their expected sensitivity to the source temperature and opacity at UV wavelengths. It was not until recently when a larger UV campaign of high S/N, multi-epoch spectroscopy of distant SN Ia was presented and compared to that of local SN Ia (Ellis et al. 2008, see also Milne et al. 2013). Most notably, Ellis et al. (2008) found a larger intrinsic dispersion of UV properties than could be accounted for by the span of effects seen in the latest models (e.g., metallicity of the progenitor, see Höflich et al. 1998; Lentz et al. 2000). As a follow-up investigation, Cooke et al. (2011) utilized and presented data from the STIS spectrograph onboard _Hubble Space Telescope_ (HST) with the intent of studying near-UV, near-maximum light spectra (day $-$0.32 to day $+$4) of nearby SN Ia. Between a high-z and low-z sample, they find a noticeable difference between the mean UV spectrum of each, suggesting that the cause may be related to different metallicities between the statistical norm of each sample. Said another way, their UV observations suggest a plausible measure of two different populations of progenitors (or constituent scenarios) that could also be dependent on the metallically thereof, including potentially larger dependencies such as variable 56Ni mass and line blanketing due to enhanced burning within the outermost layers (Marion et al., 2013). It should be noted, despite the phase selection criterion invoked by Cooke et al. (2011), it may not be enough to simply designate a phase range in order to avoid phase evolution effects (see Fig. 7 of Childress et al. 2013b). In order to confirm spectroscopic trends at UV wavelengths, a better method of selection will be necessary as the largest UV difference found by Cooke et al. (2011) and Maguire et al. (2012) between the samples overlaps with the Si II, Ca II H&K absorption features (3600$-$3900 Å), i.e. a highly blended feature that is far too often a poorly understood SN Ia variable, both observationally (across subtype and phase) and theoretically, within the context of line formation at UV$-$NIR wavelengths (Mazzali, 2000; Kasen et al., 2003; Thomas et al., 2004; Foley, 2012; Marion et al., 2013; Childress et al., 2013b). While it is true that different radiative processes dominate within different wavelength regions, there are a multitude of explanations for such a difference between the Si II$-$Ca II blend near 3700 Å. Furthermore, the STIS UV spectra do not offer a look at either the state of the 6100 Å absorption feature (is it completely photospheric?$-$the answer requires spectrum synthesis even for maximum light phases), nor is it clear if the same is true for Ca II in the NIR where high-velocity components thereof are most easily discernible (Lentz et al., 2000). It is important to further reemphasize that the time-dependent behavior of the sum total of radiative processes that generate a spectrum from a potentially axially-asymmetric (and as of yet unknown) progenitor system and explosion mechanism are not well understood, much less easily decipherable with an only recently obtained continuous dataset for how the spectrum itself evolves over time at optical wavelengths202020SN 2011fe. See Pereira et al. 2013 and http://snfactory.lbl.gov/snf/data/. Which is only to say, given the current lack of certain predictability between particular observational characteristics of SN Ia (e.g., spectroscopic phase transition times), time series observations at UV wavelengths would offer a beneficial route for the essential purposes of hand-selecting the ‘best’ spectrum comparisons in order to ensure a complete lack of phase evolution effects. Recently, Wang et al. (2012) presented HST multi-epoch, UV observations of SN 2004dt, 2004ef, 2005M, and 2005cf. Based on comparisons to the results of Lentz et al. (2000) and Sauer et al. (2008), two studies that show a 0.3 magnitude span of UV flux for a change of two orders of magnitude in metallicity within the C$+$O layer of a pure deflagration model (W7; Nomoto et al. 1984), Wang et al. (2012) conclude that the UV excess for a HVG SN Ia, SN 2004dt (A.22), _cannot_ be explained by metallicities or expansion velocities alone. Rather, the inclusion of asymmetry into a standard model picture of SN Ia should be a relevant part of their observed diversity (e.g., Kasen et al. 2009; Blondin et al. 2011). More recently, Mazzali et al. (2013) obtained 10 HST UV$-$NIR spectra of SN 2011fe, spanning $-$13.5 to $+$41 days relative to _B_ -band maximum. They analyzed the data along side spectrum synthesis results from three explosion models, namely a ‘fast deflagration’ (W7), a low-energy delayed-detonation (WS15DD1; Iwamoto et al. 1999), and a third model treated as an intermediary between the outer-layer density profiles of the other two models (“W7+”). From the seen discrepancies between W7 and WS15DD1 during the early pre-maximum phase, in addition to optical flux excess for W7 and a mismatch in observed velocities for WS15DD1, Mazzali et al. (2013) conclude that their modified W7+ model is able to provide a better fit to the data because of the inclusion of a high velocity tail of low density material. In addition, and based on a spectroscopic rise time of $\sim$ 19 days, Mazzali et al. (2013) infer a $\sim$ 1.4 day period of optical quiescence after the explosion (see Piro & Nakar 2013; Chomiuk 2013). #### 3.6.2 Infrared Light Curves and Spectra By comparing absolute magnitudes at maximum of two dozen SN Ia, Krisciunas (2005) argue that SN Ia can be best used as standard candles at NIR wavelengths (which was also suggested by Elias et al. 1985a, b), even without correction for optical light curve shape. Wood-Vasey et al. (2008) later confirmed this to be the case from the analysis of 1087 near-IR (JHK) measurements of 21 SN Ia. Based on their data and data from the literature, they derive absolute magnitudes of 41 SN Ia in the _H_ -band with rms scatter of 0.16 magnitudes. Folatelli et al. (2010) find a weak dependence of _J_ -band luminosities on the decline rate from 9 NIR datasets, in addition to _V_ $-$_J_ corrected _J_ -band magnitudes with a dispersion of 0.12 magnitudes. Mandel et al. (2011) constructed a statistical model for SN Ia light curves across optical and NIR passbands and find that near-IR luminosities enable the most ideal use of SN Ia as standard candles, and are less sensitive to dust extinction as well. Kattner et al. (2012) analyzed the standardizability of SN Ia in the near-IR by investigating the correlation between observed peak near- IR absolute magnitude and post-maximum $\Delta$m15(_B_). They confirm that there is a bimodal distribution in the near-IR absolute magnitudes of fast- declining SN Ia (Krisciunas et al., 2009) and suggest that applying a correction to SN Ia peak luminosities for decline rate is likely to be beneficial in the J and H bands, making SN Ia more precise distance indicators in the IR than at optical wavelengths (Barone-Nugent et al., 2012). While optical spectra of SN Ia have received a great deal of attention in the recent past, infrared datasets (e.g., Kirshner et al. 1973b; Meikle et al. 1996; Bowers et al. 1997; Rudy et al. 2002; Höflich et al. 2002) are either not obtained, or are not observed at the same epochs or rate as their optical counterparts. This has only recently begun to change. Thus far, the largest NIR datasets can be found in Marion et al. (2003) and Marion et al. (2009a). Marion et al. (2003) obtained NIR spectra (0.8$-$2.5 $\mu$m) of 12 normal SN Ia, with fairly early coverage. Later, Marion et al. (2009a) presented and studied a catalogue of NIR spectra (0.7 $-$ 2.5 $\mu$m) of 41 additional SN Ia. In all, they report an absence of _conspicuous_ signatures of hydrogen and helium in the spectra, and no indications of carbon via C I $\lambda$10693 (however, see our §4.1). For an extensive review on IR observations, we refer the reader to Phillips (2012). ### 3.7 Drawing Conclusions about SN Ia Diversity from SN Ia Rates Studies It has long been perceived that a supernova’s local environment, rate of occurrence, and host galaxy properties (e.g., WD population) serve as powerful tools for uncovering solutions to SN Ia origins (Zwicky, 1961; Hamuy et al., 1995; van den Bergh et al., 2005; Mannucci, 2005; Leaman et al., 2011; Li et al., 2011a, d). After all, a variety of systems, both standard and exotic scenarios$-$all unconfirmed$-$offer potential for explaining “oddball” SN Ia, as well as more normal events, at various distances (z; redshift) and associations with a particular host galaxy or WD population (Yungelson & Livio, 2000; Parthasarathy et al., 2007; Hicken et al., 2009a; Hachisu et al., 2012; Pakmor et al., 2013; Wang et al., 2013c; Pan et al., 2013; Kim et al., 2014). Despite this broad extent of the progenitor problem, measurements of the total cosmic SN Ia rate, RSNIa(z), can be made to gauge the general underlying behavior of actively contributing systems (Maoz et al., 2012). Further insight into how various progenitor populations impart their signature onto RSNIa(z) comes about by considering which scenarios lead to a “prompt” (or a “tardy”) stellar demise (Scannapieco & Bildsten, 2005; Mannucci, 2005). Whether or not mergers involve both a (“prompt”) helium-burning or (“tardy”) degenerate secondary star remains to be seen (Woods et al. 2011; Hillebrandt et al. 2013; Dan et al. 2013 and references therein). Because brighter SN Ia prefer younger, metal-poor galaxies, and a linear relation exists between the SN Ia light curve shape and gas-phase metallicity, the principle finding has been that the rate of the universally prompt component is proportional to the star formation rate of the host galaxy, whereas the second delayed component’s rate is proportional to the stellar mass of the galaxy (Sullivan et al., 2006; Howell et al., 2007; Sullivan et al., 2010; Zhang, 2011; Pan et al., 2013). The SN Ia galaxy morphology study of Hicken et al. (2009a) has since progressed this discussion of linking certain observed SN Ia properties with their individual environments. Overall, the trend of brighter/dimmer SN Ia found in younger/older hosts remains, however now with indications that a continuous distribution of select SN Ia subtypes exist in multiple host galaxy morphologies and projected distances within each host. To understand the full form of RSNIa(z), taking into account the delay time distribution (DTD) for every candidate SN Ia system is necessary (see Bonaparte et al. 2013; Claeys et al. 2014). Maoz et al. (2010) find that the DTD peaks prior to 2.2 Gyr and has a long tail out to $\sim$ 10 Gyr. They conclude that a DTD with a power-law t-1.2 starting at time t = 400 Myr to a Hubble time can satisfy both constraints of observed cluster SN rates and iron-to-stellar mass ratios, implying that that half to a majority of all SN Ia events occur within one Gyr of star formation (see also Strolger et al. 2010; Meng et al. 2011). In general, the DTD may be the result of binary mergers (Ruiter et al., 2009; Toonen et al., 2012; Nelemans et al., 2013) and/or a single-degenerate scenario (Hachisu et al., 2008, 2012; Chen et al., 2013), but with the consideration that evidence for delay times as short as 100 Myr have been inferred from SN remnants in the Magellanic Clouds (Badenes et al., 2009; Maoz & Badenes, 2010). From a recent comparison of low/high-z SN Ia rate measurements and DTDs of various binary population synthesis models, Graur et al. (2013) argue that single-degenerate systems are ruled out between 1.8 $<$ z $<$ 2.4. Overall, their results support the existence of a double-degenerate progenitor channel for SN Ia if the the number of double-degenerate systems predicted by binary population synthesis models can be “aptly” increased (Maoz et al., 2010). However, initial studies have primarily focussed upon deriving the DTD without taking into account the possible effects of stellar metallicity on the SN Ia rate in a given galaxy. Given that lower metallicity stars leave behind higher mass WD stars (Umeda et al., 1999b; Timmes et al., 2003), Kistler et al. (2013) and Meng et al. (2011) argue that the effects of metallicity may serve to significantly alter the SN Ia rate (see also Pan et al. 2013). In fact, models that include the effects of metallicity (e.g., Kistler et al. 2013) find similar consistencies with the observed RSNIa(z). Notably, recent spectroscopic studies _do_ indicate a stronger preference of low-metallicity hosts for super-Chandrasekhar candidate SN Ia (Taubenberger et al., 2011; Childress et al., 2011), which may just as well be explained by low metallicity single-degenerate systems (Hachisu et al., 2012). While there are not enough close binary WD systems in our own galaxy that would result in SCC DD scenarios (Parthasarathy et al., 2007), sub-Chandrasekhar merging binaries may be able to account for discrepancies in the observed rate of SN Ia (Badenes & Maoz, 2012; Kromer et al., 2013b). Although, we wish to remind the reader that since spectrophotometry of SN Ia so far offer the best visual insight into these distant extragalactic events, and because there is no clear consensus on the origin of their observed spectrophotometric diversity, there is no clear certainty as to what distribution of progenitor scenarios connect with any kind of SN Ia since none have been observed prior to the explosion. Furthermore, whether or not brighter or dimmer SN Ia “tend to” correlate with any property of their hosts does not alleviate the discussion down to one or two progenitor systems (e.g., single- versus double-degenerate systems) since the most often used tool for probing SN Ia diversity over all distance scales, i.e. the “stretch” of a light curve, does not necessarily uniquely determine the spectroscopic subtype. Rather, such correlations reveal the degree of an underlying effect from samples of uncertain and unknown SN Ia subtype biases, i.e. dust extinction in star formation galaxies and progenitor ages also evolve along galaxy mass sequences (Childress et al., 2013a) and the redshift-color evolution of SN Ia remains an open issue (Mohlabeng & Ralston, 2013; Pan et al., 2013; Wang et al., 2013b). While it is important to consider the full redshift range over which various hierarchies of progenitor and subtype sequences may dominate over others, such studies are rarely able to incorporate spectroscopic diversity as input (a “serendipitous” counter-example being Krughoff et al. 2011). This is relevant given that the landscape of SN Ia spectroscopic diversity has not yet been seen to be void of line-of-sight discrepancies for all progenitor scenarios (particularly so for double degenerate detonations/mergers, e.g., Shen et al. 2013; Pakmor et al. 2013; Raskin & Kasen 2013; Moll et al. 2013; Raskin et al. 2013). Ultimately, robust theories should be able to connect spectroscopic subtypes with individual or dual instances of particular progenitor systems, which requires detailed spectroscopic modeling. Thus, the consensus as to how many progenitor channels contribute to SN Ia populations is still unclear. Broadly speaking, there are likely to be no less than two to three progenitor scenarios for normal SN Ia so long as single- degenerate systems remain viable (Hachisu et al., 2012), if not restricted to explaining Ia-CSM SN alone (see Han & Podsiadlowski 2006; Silverman et al. 2013d; Leloudas et al. 2013). Given also a low observed frequency of massive white dwarfs and massive double-degenerate binaries near the critical mass limit with orbital periods short enough to merge within a Hubble time, some normal SN Ia are still perceived as originating from single-degenerate systems (Parthasarathy et al., 2007). Meanwhile, some portion of events may also be the result of a core-degenerate merger (Soker et al., 2013), while some merger phenomena are possibly accelerated within triple systems (Thompson, 2011; Kushnir et al., 2013; Dong et al., 2014). It likewise remains unclear whether or not some double-degenerate mergers predominately result in the production of a neutron star instead of a SN Ia (Saio & Nomoto, 1985; Nomoto & Kondo, 1991; Piersanti et al., 2003; Saio & Nomoto, 2004; Dan et al., 2013; Tauris et al., 2013). At present, separately distinct origins for spectroscopically similar SN Ia cannot be ruled out by even one discovery of a progenitor system; the spectroscopic diversity is currently too great and too poorly understood to confirm without greater unanimity among explosion models and uniformity in data collection efforts. ## 4 Some Recent SN Ia During the past decade, several normal, interesting, and peculiar SN Ia have been discovered. For example, the recent SN 2009ig, 2011fe, and 2012fr are nearby SN Ia that were discovered extremely young with respect to the onset of the explosion (Nugent et al., 2011; Foley et al., 2012c; Childress et al., 2013c) and have been extensively studied at all wavelengths, yielding a clearer understanding of the time-dependent behavior of SN spectroscopic observations, in addition to a better context by which to compare. Below we briefly summarize some of the highlighted discoveries during the most recent decade, during which it has revealed a greater diversity of SN Ia than was previously known. In the appendix we provide a guide to the recent literature of other noteworthy SN Ia discoveries. We emphasize that these sections are not meant to replace reading the original publications, and are only summarized here as a navigation tool for the reader to investigate further. ### 4.1 SN 2011fe in M101 Thus far, the closest spectroscopically normal SN Ia in the past 25 years, SN 2011fe (PTF11kly), has provided a great amount of advances, including testing SN Ia distance measurement methods (Matheson et al., 2012; Vinkó et al., 2012; Lee & Jang, 2012). For example, the early spectroscopy of SN 2011fe showed a clear and certain time-evolving signature of high-velocity oxygen that varied on time scales of hours, indicating sizable overlap between C$+$O, Si, and Ca- rich material and newly synthesized IMEs within the outermost layers (Nugent et al., 2011). Parrent et al. (2012) carried out analysis of 18 spectra of SN 2011fe during its first month. Consequently, they were able to follow the evolution of C II $\lambda$6580 absorption features from near the onset of the explosion until they diminished after maximum light, providing strong evidence for overlapping regions of burned and unburned material between ejection velocities of at least 10,000 and 16,000 km s-1. At the same time, the evolution of a 7400 Å absorption feature experienced a declining Doppler-shift until 5 days post- maximum light, with O I $\lambda$7774 line velocities ranging 11,500 to 21,000 km s-1 (Nugent et al., 2011). Parrent et al. (2012) concluded that incomplete burning (in addition to progenitor scenarios) is a relevant source of spectroscopic diversity among SN Ia (Tanaka et al., 2008; Maeda et al., 2010a). Pereira et al. (2013) presented high quality spectrophotometric observations of SN 2011fe, which span from day $-$15 to day $+$97, and discussed comparisons to other observations made by Brown et al. (2012), Richmond & Smith (2012), Vinkó et al. (2012), and Munari et al. (2013). From an observed peak bolometric luminosity of 1.17 $\pm$ 0.04 x 1043 erg s-1, they estimate SN 2011fe to have produced between $\sim$ 0.44 $\pm$ 0.08 $-$ 0.53 $\pm$ 0.11 M⊙ of 56Ni. By contrast, Pastorello et al. (2007a) and Wang et al. (2009b) estimate 56Ni production for the normal SN 2005cf (A.26) to be $\sim$ 0.7 M⊙. It is also interesting to note that SN 2011fe and the fast-declining SN 2004eo produced similar amount of radioactive nickel, however lower for SN 2004eo ($\sim$ 0.4 M⊙; Mazzali et al. 2008). Pereira et al. (2013) also made comparisons between SN 2011fe, a SNFactory normal SN Ia (SNF20080514-002) and the broad-lined HV- CN SN 2009ig (Foley et al., 2012c). Pereira et al. (2013) note similarities (sans the UV) and notable contrast with respect to high-velocity features, respectively. Pereira et al. (2013) calculated v̇${}_{Si\ II}$ for SN 2011fe to be $\sim$ 60 ($\pm$ 3) km s-1 day-1, near the high end of low-velocity gradient SN Ia events (see Benetti et al. 2005; Blondin et al. 2012). Given their high S/N, time series dataset, Pereira et al. (2013) were also able to place tighter constraints on the velocities over which C II $\lambda$6580 is observed to be present in SN 2011fe. They conclude that C II is present down to at least as low as 8000 km s-1, which is 2000 km s-1 lower than that estimated by Parrent et al. (2012), and is also $\sim$ 4000$-$6000 km s-1 (or more) lower than what is predicted by some past and presently favored SN Ia abundance models (e.g., W7; Nomoto et al. 1984, and the delayed detonations of Höflich 2006 and Röpke et al. 2012). Hsiao et al. (2013) presented and discussed NIR time series spectra of SN 2011fe that span between day $-$15 and day $+$17\. In particular, they report a detection of C I $\lambda$10693 on the blue-most side of a blended Mg II $\lambda$10927 absorption feature at roughly the same velocities and epochs as C II $\lambda$6580 found by Parrent et al. (2011) and Pereira et al. (2013), which itself is blended on its _blue-most_ side with Si II $\lambda$6355\. While searches and studies of C I $\lambda$10693 are extremely useful for understanding the significance of C-rich material from normal to cooler sub- luminous SN Ia within the greater context of all C I, C II, C III, O I absorption features (C III for “hotter” SN 1991T-likes), blended C I $\lambda$10693 absorption shoulders are certainly no more (nor no less) useful for probing lower velocity boundaries than C II $\lambda$6580 absorption notches. This is especially true given that C I $\lambda$10693 absorption features are blended from the _red-most_ side (lower velocities) by the neighboring Mg II line, which will only serve to obscure the lower velocity information of the C I profile for the non-extreme cases (e.g., SN 1999by, Höflich et al. 2002). Hsiao et al. (2013) used the observed temporal behavior, and later velocity- plateau, of Mg II $\lambda$10927 to estimate a lower extent of $\sim$ 11,200 km s-1 for carbon-burning products within SN 2011fe. Given that this in contrast to the refined lower extent of C II at $\sim$ 8000 km s-1 by Pereira et al. (2013), this _could_ imply (i.e. assuming negligible temperature differences and/or non-LTE effects) that either some unburned material has been churned below the boundary of carbon-burning products via turbulent instabilities (Gamezo et al., 1999, 1999, 2004) and/or the distribution of emitting and absorbing carbon-rich material is truly globally lopsided (Kasen et al., 2009; Maeda et al., 2010b; Blondin et al., 2011), and may indicate the remains of a degenerate secondary star (Moll et al., 2013). Detailed studies of this nearby, normal, and unreddenned SN 2011fe have given strong _support_ for double-degenerate scenarios (assuming low environmental abundances of hydrogen) and have placed strong _constraint_ on single- degenerate scenarios, i.e. MS and RG companion stars have been strongly constrained for SN 2011fe (see Shappee et al. 2013 and references therein, and also Hayden et al. 2010a; Bianco et al. 2011). Nugent et al. (2011), Li et al. (2011b) and Bloom et al. (2012) confirm that the primary star was a compact star (R∗ $\lesssim$ 0.1 R⊙, c.f., Bloom et al. 2012; Piro & Nakar 2013; Chomiuk 2013). From the lack of evidence for an early shock outbreak (Kasen, 2010; Nakar & Sari, 2012), non-detections of radio and X-ray emissions (Horesh et al., 2012; Chomiuk et al., 2012; Margutti et al., 2012), non-detections of narrow Ca II H&K or Na D lines or pre-existing dust that could be associated with the event (Patat et al., 2013; Johansson et al., 2013), and low upper- limits on hydrogen-rich gas (Lundqvist et al., 2013), the paucity of evidence for an environment dusted in CSM from a non-degenerate secondary strongly supports the double degenerate scenario for SN 2011fe. Plus, this inferred ambient environment is consistent with that of recent merger simulations (Dan et al., 2012), and could signal an avenue of interpretation for signatures of carbon-rich material as well (Branch et al., 2005; Dan et al., 2013; Moll et al., 2013). Specifically, the remaining amount of carbon-rich material predicted by some explosion models may already be accounted for, and more so than would be required by the existence of low velocity detections of C I and C II. If this turns out to be the case, spectroscopic signatures of both C and O could tap into understanding (i) the sizes of merger C$+$O common envelopes, (ii) potential downward mixing effects between the envelope and the underlying ejecta, and/or (iii) test theories on possible asymmetries of C$+$O material within the post-explosion ejecta of the primary and secondary stars (Livio & Pringle, 2011), which is expected to depend on the degree of coalescence (Moll et al., 2013; Raskin & Kasen, 2013). Of course, this all rests on the assumptions that (i) the surrounding environment of a single degenerate scenario just prior to the explosion ought to be contaminated with some amount of CSM, above which it would be detected (Justham, 2011; Brown et al., 2012), and (ii) the surrounding environment of a merger remains relatively “clean” (Shen et al., 2013; Raskin & Kasen, 2013). In this instance, and assuming similarly above that current DDT-like models roughly fit the outcome of the explosion, absorption signatures of C ($+$ HV O I) may point to super-massive single-degenerate progenitors with variable enclosed envelopes and/or disks of material (e.g., Yoon & Langer 2004, 2005; Hachisu et al. 2012; Scalzo et al. 2012; Tornambé & Piersanti 2013; Dan et al. 2013) or sub-Chandrasekhar mass “peri-mergers” for resolve (see Moll et al. 2013 and references therein). ### 4.2 Other Early Discoveries #### 4.2.1 SN 2009ig in NGC 1015 Foley et al. (2012c) obtained well-sampled, early UV and optical spectra of SN 2009ig as it was discovered 17 hr after the event (Kleiser et al., 2009; Navasardyan et al., 2009). SN 2009ig is found to be a normal SN Ia, rising to _B_ -band maximum in $\sim$ 17.3 days. From the earliest spectra, Foley et al. (2012c) find Si II $\lambda$6355 line velocities around 23,000 km s-1, which is exceptionally high for such a spectroscopically normal SN Ia (see also Blondin et al. 2012). SN 2009ig possess either an overall shallower density profile than other CN SN Ia, or a buildup of IMEs is present at high velocities. Marion et al. (2013) recently analyzed the photospheric to post-maximum light phase spectra of SN 2009ig, arguing for the presence of additional high- velocity absorption signatures from not only Si II, Ca II, but also Si III, S II and Fe II. Whether or not two separate but compositionally equal regions of line formation is a ubiquitous property of similar SN Ia remains to be seen. However, it should not be unlikely for primordial amounts of said atomic species to be present (in addition to singly-ionized silicon and calcium) on account of possible density and/or abundance enhancements within the outermost layers (Thomas et al., 2004; Mazzali et al., 2005b, a). For example, simmering effects during convective phases prior to the explosion may be responsible for dredging up IMEs later seen as HVFs, which would give favorability to single- degenerate progenitor scenarios (see Piro 2011; Zingale et al. 2011). Similarly, it is worthwhile to access the versatility of mergers in producing high-velocity features. #### 4.2.2 SN 2012fr in NGC 1365 Childress et al. (2013c) report on their time series spectroscopic observations of SN 2012fr (Klotz et al., 2012; Childress et al., 2012; Buil, 2012), complete with 65 spectra that cover between $\sim$ 15 days before and 40 days after it reached a peak _B_ -band brightness of $-$19.3. In addition to the simultaneous spectropolarimetric observations of Maund et al. (2013), the early to maximum light phase spectra of SN 2012fr reveal one of the clearest indications that SN Ia of similar type (e.g., SN 1994D, 2001el, 2009ig, 2011fe, and many others; Mazzali05a) tend to have two distinctly separate regions of Si-, Ca-based material that differ by a range of separation velocities (Childress et al., 2013b). Childress et al. (2013c) and Maund et al. (2013) discussed the various interpretations that have been presented in the past, however no firm conclusions on the origin of HVFs could be realized given the uncertainties of current explosion models. Despite this, the most recent advance toward understanding HVFs is the continual detection of polarization signatures due to the high-velocity Si II and Ca II absorption features, indicating a departure from a radially stratified, spherically symmetric geometry at some layer near or above the “photospheric region” of IMEs. ### 4.3 Super-Chandrasekhar Candidate SN Ia #### 4.3.1 Over-luminous SN 2003fg (SNLS-03D3bb) SN 2003fg was discovered as part of the Supernova Legacy Survey (SNLS); z = 0.2440 (Howell et al., 2006). Its peak absolute magnitude was estimated to be $-$19.94 in _V_ -band, placing SN 2003fg completely outside the M${}_{\emph{V}}$-distribution of normal low-z SN Ia (2.2 times brighter). Assuming Arnett’s rule, such a high luminosity corresponds to $\sim$ 1.3 M⊙ of 56Ni, which would be in conflict with SN 2003fg’s spectra since only $\sim$ 60% of a Chandrasekhar pure detonation ends up as radioactive nickel (Steinmetz et al. 1992, however see also Pfannes et al. 2010). Given also the lower mean expansion velocities, this builds upon the picture of a super- Chandrasekhar mass progenitor for SN 2003fg and others like it (Howell et al., 2006; Jeffery et al., 2006). Yoon & Langer (2005) proposed the formation of super-Chandrasekhar mass WD stars as a result of rapid rotation. Pfannes et al. (2010) later reworked these models and found that the “prompt” detonation of a super-Chandrasekhar mass WD produces enough nickel, as well as a remainder of IMEs in the outer layers (in contrast to Steinmetz et al. 1992), to explain over-luminous SN Ia. Hachisu et al. (2012) added to this model by taking into account processes of binary evolution. Namely, with the inclusion of mass-striping, optically thick winds of a differentially rotating primary star, Hachisu et al. (2012) find three critical mass ranges that are each separated according to the spin-down time of the accreting WD. All three of these single-degenerate scenarios may explain a majority of events from sub-luminous to over-luminous SN Ia. So far no super-Chandrasekhar mass WD stars that would result in a SN Ia have been found in the sample of known WD stars in our Galaxy (Saffer et al. 1998, see also Kilic et al. 2012). However, this does not so much rule out super- Chandrasekhar mass models as it suggests that these systems are rare in the immediate vicinity within our own galaxy. Hillebrandt et al. (2007) proposed an alternative scenario involving only a Chandrasekhar-mass WD progenitor to explain the SN 2003fg event. They demonstrated that an off-center explosion of a Chandrasekhar-mass WD could explain the super-bright SN Ia. However, in this off-center explosion model it is not easy to account for the high Ni mass in the outer layers, in addition to the special viewing direction. #### 4.3.2 Over-luminous SN 2009dc in UGC 10064 Yamanaka et al. (2009a) presented early phase optical and NIR observations for SN 2009dc (Puckett et al., 2009; Harutyunyan et al., 2009; Marion et al., 2009b; Nicolas & Prosperi, 2009). From the peak _V_ -band absolute magnitude they conclude that SN 2009dc belongs to the most luminous class of SN Ia ($\Delta$m15(_B_) = 0.65), and estimate the 56Ni mass to be 1.2 to 1.6 M⊙. Based on the JHK photometry Yamanaka et al. (2009a) also find SN 2009dc had an unusually high NIR luminosity with enhanced fading after $\sim$ day $+$200 (Maeda et al., 2009; Silverman et al., 2011; Taubenberger et al., 2011). The spectra of SN 2009dc also show strong, long lasting 6300 Å absorption features (until $\sim$ two weeks post-maximum light) Based on the observed spectropolarimetric indicators, in combination with photometric and spectroscopic properties, Tanaka et al. (2010) similarly conclude that the progenitor mass of SN 2009dc was of super-Chandrasekhar origin and that the explosion geometry was globally spherically symmetric, with a clumpy distribution of IMEs. Silverman et al. (2011) presented an analysis of 14 months of observations of SN 2009dc and estimate a rise-time of $\sim$ 23 days and $\Delta$m15(_B_) = 0.72. They find a lower limit of the peak bolometric luminosity $\sim$ 2.4 x 1043 erg s-1 and caution that the actual value is likely almost 40% larger. Based on the high luminosity and low mean expansion velocities of SN 2009dc, Silverman et al. (2011) derive a mass of more than 2M⊙ for the white dwarf progenitor and a 56Ni mass of $\sim$ 1.4 to 1.7 M⊙. Taubenberger et al. (2011) find the minimum 56Ni mass to be 1.8 M⊙, assuming the smallest possible rise- time of 22 days, and the ejecta mass to be 2.8 M⊙. Taubenberger et al. (2013) compared photometric and spectroscopic observations of normal and SCC SN Ia at late epochs, including SN 2009dc, and find a large diversity of properties spanning through normal, SS, and SCC SN Ia. In particular the decline in the light curve “radioactive tail” for SCC SN Ia is larger than normal, along with weaker than normal [Fe III] emission in the nebular phase spectra. Taubenberger et al. (2013) argue that the weak [Fe III] emission is indicative of an ejecta environment with higher than normal densities. Previously, Hachinger et al. (2012) carried out spectroscopic modeling for SN 2009dc and discussed the model alternatives, such as a 2 M⊙ rotating WD, a core-collapse SN, and a CSM interaction scenario. Overall, Hachinger et al. (2012) found the interaction scenario to be the most promising in that it does not require the progenitor to be super-massive. Taubenberger et al. (2013) furthered this discussion in conjunction with their late time comparisons and conclude that the models of Hachinger et al. (2012) do not simultaneously match the peak brightness and decline of SN 2009dc (see also Yamanaka et al. 2013). Following the interaction scenario of Hachinger et al. (2012), Taubenberger et al. (2013) propose a non-violent merger model that produces $\sim$1M⊙ of 56Ni and is enshrouded by $\sim$0.6$-$0.7M⊙ of C$+$O-rich material. In order to reconcile the low 56Ni production, Taubenberger et al. (2013) note that additional luminosity from interaction with CSM is required during the first two months post-explosion. Further support for CSM interaction comes from the observed suppression of the double peak in the _I_ -band, which is thought to arise from a breaking of ejecta stratification in the outermost layers (Kasen, 2006; Kamiya et al., 2012). It is not yet clear if SN 2003fg, 2006gz (A.32), 2007if (A.34), and SN 2009dc are the result of a single super-Chandrasekhar mass WD star, given that even in our galaxy there is no observational evidence for the existence of such a system. Likewise, there is no direct observational evidence for the presence of very rapidly rotating massive WD stars, either single WDs or in binary systems as well. In fact, no double-degenerate close binary systems with a total mass amounting to super-Chandrasekhar mass configurations that can merge in Hubble-time have been found (Parthasarathy et al., 2007). Therefore, our current understanding of the origin of over-luminous SN Ia is limited, and more observations are needed. For example, progress has been made with the recent discovery of 24 merging WD systems via the extremely low mass Survey (see Kilic et al. 2012 and references therein), however it is unclear if any are systems that would produce a normal SN Ia. ### 4.4 The Peculiar SN 2002cx-like Class of SN #### 4.4.1 SN 2002cx in CGCG-044-035 Li et al. (2003) considered SN 2002cx as “the most peculiar known SN Ia” (Wood-Vasey et al., 2002b). They obtained photometric and spectroscopic observations which revealed it to be unique among all observed SN Ia. Li et al. (2003) described SN 2002cx as having SN 1991T-like pre-maximum spectrum, a SN 1991bg-like luminosity, and expansion velocities roughly half those of normal SN Ia. Photometrically, SN 2002cx has a broad peak in the _R_ -band, a plateau phase in the _I_ -band, and a slow late time decline. The _B_ $-$ _V_ color evolution are described as nearly normal, while the _V_ $-$ _R_ and _V_ $-$ _I_ colors are redder than normal. Spectra of SN 2002cx during early phases evolve rapidly and are dominated by lines from IMEs and IPEs, but the features are weak overall. In addition, emission lines are present around 7000 Å during post-maximum light phases, while the late time nebular spectrum shows narrow lines of iron and cobalt. Jha et al. (2006a) presented late time spectroscopy of SN 2002cx, which includes spectra at 227 and 277 days post-maximum light. They considered it as a prototype of a new subclass of SN Ia. The spectra do _not_ appear to be dominated by the forbidden emission lines of iron, which is not expected during the “nebular phase,” where instead they find a number of P Cygni profiles of Fe II at exceptionally low expansion velocities of $\sim$ 700 km s-1 (Branch et al., 2004a). A tentative identification of O I $\lambda$7774 is also reported for SN 2002cx, suggesting the presence of oxygen-rich material. Currently, it is difficult to explain all the observed photometric and spectroscopic properties of SN 2002cx using the standard SN Ia models (see Foley et al. 2013). However, the spectral characteristics of SN 2002cx support pure deflagration or failed-detonation models that leave behind a bound remnant instead of delayed detonations (Jordan et al., 2012; Kromer et al., 2013a; Hillebrandt et al., 2013). #### 4.4.2 SN 2005hk in UGC 00272 Phillips et al. (2007) presented extensive multi-color photometry and optical spectroscopy of SN 2005hk (Quimby et al., 2005). Sahu et al. (2008) also studied the spectrophotometric evolution SN 2005hk, covering pre-maximum phase to around 400 days after the event. These datasets reveal that SN 2005hk is _nearly_ identical in its observed properties to SN 2002cx. Both supernovae exhibited high ionization SN 1991T-like pre-maximum light spectra but with low peak luminosities like that of SN 1991bg. The spectra reveal that SN 2005hk, like SN 2002cx, has expansion velocities that are roughly half those of typical SN Ia. The _R_ and _I_ -band light curves of both supernovae are also peculiar for not displaying the secondary maximum observed for normal SN Ia. Phillips et al. (2007) constructed a bolometric light curve from 15 days before to 60 days after _B_ -band maximum. They conclude that the shape and exceptionally low peak luminosity of the bolometric light curve, low expansion velocities, and absence of a secondary maximum in the NIR light curves are in reasonable agreement with model calculations of a three-dimensional deflagration that produces 0.25 M⊙ of 56Ni. Note however that the low amount of continuum polarization observed for SN 2005hk ($\sim$ 0.2%$-$0.4%) is far too similar to that of more normal SN Ia to serve as an explanation for the spectroscopic peculiarity of SN 2005hk, and possibly other SN 2002cx-like events (Chornock et al., 2006; Maund et al., 2010a). #### 4.4.3 Sub-luminous SN 2007qd McClelland et al. (2010) obtained multi-band photometry and multi-epoch spectroscopy of SN 2007qd (Bassett et al., 2007). Its observed properties place it broadly between those of the peculiar SN 2002cx and SN 2008ha (A.37). Optical photometry indicate a fast rise-time and a peak absolute _B_ -band magnitude of $-$15.4. McClelland et al. (2010) carried out spectroscopy of SN 2007qd near maximum brightness and detect signatures of IMEs. They find the photospheric velocity to be 2800 km s-1 near maximum light, and note that this is $\sim$ 4000 and 7000 km s-1 less than that inferred for SN 2002cx and normal SN Ia, respectively. McClelland et al. (2010) find that the peak luminosities of SN 2002cx-like objects are well correlated with their light curve stretch and photospheric velocities. #### 4.4.4 SN 2009ku SN 2009ku was discovered by Pan-STARS-1 as a SN Ia belonging to the peculiar SN 2002cx class. Narayan et al. (2011) studied SN 2009ku and find that while its multi-band light curves are similar to that of SN 2002cx, they are slightly broader and have a later rise to _g_ -band maximum. Its peak brightness was found to be M${}_{\emph{V}}$ = $-$18.4 and the ejecta velocity at 18 days after maximum brightness was found to be $\sim$ 2000 km s-1. Spectroscopically, SN 2009ku is similar to SN 2008ha (A.37). Narayan et al. (2011) note that the high luminosity and low ejecta velocity for SN 2009ku is not in agreement with the trend seen for SN 2002cx class of SN Ia. The spectroscopic and photometric characteristics of SN 2009ku indicate that the SN 2002cx class of SN Ia are not homogeneous, and that the SN 2002cx class of events may have a significant dispersion in their progenitor population and/or explosion physics (see also Kasliwal et al. 2012 for differences between this class and sub-luminous “calcium-rich” transients). ### 4.5 PTF11kx and the “Ia-CSM” Class of SN Ia #### 4.5.1 PTF11kx: A case for single-degenerate scenarios? Dilday et al. (2012) studied the photometric and spectroscopic properties of another unique SN Ia event, PTF11kx. Using time series, high-resolution optical spectra, they find direct evidence supporting a single-degenerate progenitor system based on several narrow, temporal ($\sim$ 65 km s-1) spectroscopic features of the hydrogen Balmer series, He I, Na I, Ti II, and Fe II. In addition, and for the first time, PTF11kx observations reveal strong, narrow, highly time-dependent Ca II absorption features that change from saturated absorption signatures to emission lines within $\sim$ 40 days. Dilday et al. (2012) considered the details of these observations and concluded that the complex CSM environment that enshrouds PTF11kx is strongly indicative of mass loss or “outflows,” prior to the onset of the explosion of the progenitor system. Other SN Ia have exhibited narrow, temporal Na D lines before (e.g., SN 2006X, 2007le; see Simon et al. 2009; Patat et al. 2009, 2010, 2011; Sternberg et al. 2011), but none have been reported as having signatures of these particular ions, which are clearly present in the high- resolution spectra of PTF11kx. On the whole, and during the earliest epochs, Dilday et al. (2012) find that the underlying SN Ia spectroscopic component of PTF11kx most closely resembles that of SN 1991T (Filippenko et al., 1992a; Gómez & López, 1998) and 1999aa (Garavini et al., 2004). As for the late time phases, Silverman et al. (2013b) studied spectroscopic observations of PTF11kx from 124 to 680 days post-maximum light and find that its nebular phase spectra are markedly different from those of normal SN Ia. Specifically, the late time spectra of PTF11kx are void of the strong cobalt and iron emission features typically seen in other SN 1991T/1999aa-like and normal SN Ia events (e.g., Ruiz-Lapuente & Lucy 1992; Salvo et al. 2001; Branch et al. 2003; Stehle et al. 2005; Kotak et al. 2005; McClelland et al. 2013; Silverman et al. 2013a). For the most part, the late time spectra of PTF11kx are seen to be dominated by broad (FWHM $\sim$ 2000 km s-1) H$\alpha$ emission and strong Ca II emission features that are superimposed onto a relatively blue, overly luminous continuum level that may be serving to wash out the underlying SN Ia spectroscopic information. Silverman et al. (2013b) note that the H$\alpha$ emission increases in strength for $\sim$1 yr before decreasing. In addition, from the absence of strong H$\beta$, He I, and O I emission, as well as a larger than normal late time luminosity, Silverman et al. (2013b) conclude that PTF11kx indeed interacted with some form of CSM material; possibly of multiply thin shells, shocked into radiative modes of collisional excitation as the SN ejecta overtakes the slower-moving CSM. However, it should be noted that it is not yet clear if the CSM originates from a single-degenerate scenario or a H-rich layer of material that is ejected prior to a double-degenerate merger event (Shen et al. 2013, see also Soker et al. 2013). #### 4.5.2 SN 2002ic Hamuy et al. (2003) detected a large H$\alpha$ emission in the spectra of SN 2002ic (Wood-Vasey et al., 2002a). Seven days before to 48 days after maximum light, the optical spectra of SN 2002ic exhibit normal SN Ia spectral features in addition to the strong H$\alpha$ emission. The H$\alpha$ emission line in the spectrum of SN 2002ic consists of a narrow component atop a broad component (FWHM of about 1800 km s-1). Hamuy et al. (2003) argue that the broad component arose from ejecta$-$CSM interaction. By day $+$48, they find that the spectrum is similar to that of SN 1990N. Hamuy et al. (2003) argue that the progenitor system contained a massive AGB star, associated with a few solar masses of hydrogen-rich CSM. Kotak et al. (2004) obtained the first high resolution, high S/N spectrum of SN 2002ic. The resolved H$\alpha$ line has a P Cygni-type profile, indicating the presence of a dense, slow-moving outflow (about 100 km s-1). They also find a relatively large and unusual NIR excess and argue that this is the result of an infrared light-echo originating from the presence of CSM. They estimate the mass of CSM to be more than 0.3 M⊙, produced by a progenitor mass loss rate greater than 10-4 M⊙ yr-1. For the progenitor, Kotak et al. (2004) favor a single-degenerate system with a post-AGB companion star. Wood-Vasey et al. (2004) obtained pre-maximum and late time photometry of SN 2002ic and find that a non-SN Ia component of the light curve becomes pronounced about 20 days post-explosion. They suggest the non-SN Ia component to be due to heating from a shock interaction between SN ejecta and CSM. Wood- Vasey et al. (2004) also suggest that the progenitor system consisted of a WD and an AGB star in the protoplanetary nebula phase. Wood-Vasey et al. (2004) and Sokoloski et al. (2006) proposed that a nova shell ejected from a recurrent nova progenitor system, creating the evacuated region around the explosion center of SN 2002ic. They suggest that the periodic shell ejections due to nova explosions on a WD sweep up the slow wind from the binary companion, creating density variations and instabilities that lead to structure in the circumstellar medium. This type of phenomenon may occur in SN Ia with recurrent nova progenitors, however Schaefer (2011) recently reported on an ongoing observational campaign of recurrent novae (RN) orbital period changes between eruptions. For at least two objects (CI Aquilae and U Scorpii), he finds that the RN _lose_ mass, thus making RN unlikely progenitors for SN Ia. Nearly one year after the explosion, Wang et al. (2004) found that the supernova had become fainter overall, but H$\alpha$ emission had brightened and broadened compared to earlier observations. From their spectropolarimetry observations, Wang et al. (2004) find that hydrogen-rich matter is asymmetrically distributed. Likewise, Deng et al. (2004) also found evidence of a hydrogen-rich asymmetric circumstellar medium. From their observations of SN 2002ic, Wang et al. (2004) conclude that the event took place within a “dense, clumpy, disk-like” circumstellar medium. They suggest that the star responsible for SN 2002ic could either be a post-AGB star or WD companion (see also Hachisu et al. 1999; Han & Podsiadlowski 2006). #### 4.5.3 SN 2005gj Similar to SN 2002ic, Aldering et al. (2006) argue that SN 2005gj is a SN Ia in a massive circumstellar envelope (see also Prieto et al. 2007), which is located in a low metallicity host galaxy with a significant amount of star formation. Their first spectrum of SN 2005gj shows a blue continuum level with broad and narrow H$\alpha$ emission. Subsequent spectra reveal muted SN Ia features combined with broad and narrow H$\gamma$, H$\beta$, H$\alpha$ and He I $\lambda\lambda$5876, 7065 in emission, where high resolution spectra reveal narrow P Cygni profiles. An inverted P Cygni profile for [O III] $\lambda$5007 was also detected, indicating top-lighting effects from CSM interaction (Branch et al., 2000). From their early photometry of SN 2005gj, Aldering et al. (2006) find that the interaction between the supernova ejecta and CSM was much weaker for SN 2002ic. Notably, both Aldering et al. (2006) and Prieto et al. (2007) agree that a SN 1991T-like spectrum can account for many of the observed profiles with an assumed increase in continuum radiation from interaction with the hydrogen-rich material. Aldering et al. (2006) also find that the light curve and measured velocity of the unshocked CSM imply mass loss as recent as 1998. This is in contrast to SN 2002ic, for which an inner cavity in the circumstellar matter was inferred (Wood-Vasey et al., 2004). Furthermore, SN 1997cy, SN 2002ic, and SN 2005gj all exhibit large CSM interactions and are from low-luminosity hosts. Consistent with this interpretation for CSM interactions is the recent report by Fox & Filippenko (2013) that a NIR re-brightening, possibly due to emission from “warm” dust, took place at late times for both SN 2002ic and 2005gj. Notably, and in contrast to SN 2002ic, Fox & Filippenko (2013) find that the mid-IR luminosity of SN 2005gj increased to $\sim$ twice its early epoch brightness. ## 5 Summary and Concluding Remarks Observations of a significant number of SN Ia during the last two decades have enabled us to document a larger expanse of their physical properties which is manifested through spectrophotometric diversity. While in general SN Ia have long been considered a homogeneous class, they do exhibit up to 3.5 mag variations in the peak luminosity, whereas “normal” SN Ia dispersions are $\sim$1 mag, and constitute several marginally distinct subtypes (Blondin et al., 2012; Scalzo et al., 2012; Silverman et al., 2013d; Foley et al., 2013; Dessart et al., 2013a). Consequently, the use of normal SN Ia for cosmological purposes depends on empirical calibration methods (e.g., Bailey et al. 2009), where one of the most physically relevant methods is the use of the width- luminosity relation (Phillips, 1993; Phillips et al., 1999). Understanding the physics and origin of the width-luminosity-relationship of SN Ia light curves is an important aspect in the modeling of SN Ia (Khokhlov et al., 1993; Lentz et al., 2000; Timmes et al., 2003; Nomoto et al., 2003; Kasen & Woosley, 2007; Kasen et al., 2009; Meng et al., 2011; Blondin et al., 2011). Brighter SN Ia often have broad light curves that decline slowly after peak brightness. Slightly less bright or dimmer SN Ia have narrower and relatively rapidly declining light curves. In addition, several SN Ia do not follow the width-luminosity-relationship (e.g., SN 2001ay, 2004dt, 2010jn, SCC, CL and SN 2002cx-like SN Ia), which reinforces the notion that a significant number of physically relevant factors influence the diversity of SN Ia overall (see Wang et al. 2012; Baron et al. 2012). Despite the ever increasing number of caught-early supernovae, our perspective on their general properties and individual peculiarities undergoes a continual convergence toward a set of predictive standards with which models must be seen to comply. The most recent observational example is that of SN 2012fr (Maund et al., 2013; Childress et al., 2013c), a normal/low-velocity-gradient SN Ia that has been added to the growing list of similar SN Ia that exhibit stark evidence for a distinctly separate region of “high-velocity” material ($>$16,000 km s-1). While the origin of high velocity features in the spectra of SN Ia is not well understood, it is concurrent with polarization signatures in most cases which implies some amount of ejecta density asymmetries (e.g., Kasen et al. 2003; Wang & Wheeler 2008; Smith et al. 2011; Maund et al. 2013). Furthermore, since understanding the temporal behavior of high velocity Si II/Ca II depends on knowing the same for the photospheric component, studies that focus on velocity gradients and potential velocity-plateaus of the photospheric component could make clearer the significance of the physical separation between these two regions of material (see Patat et al. 1996; Kasen et al. 2003; Tanaka et al. 2008; Foley et al. 2012c; Parrent et al. 2012; Scalzo et al. 2012; Childress et al. 2013c; Marion et al. 2013). However, it is at least certain that all viable models that encompass “normal” SN Ia conditions must account for the range of properties related to velocity evolution (see Blondin et al. 2012 and references therein), the occasionally observed however potentially under-detected signatures of C$+$O material at both low and high velocities (Thomas et al., 2007; Parrent et al., 2011; Thomas et al., 2011b; Folatelli et al., 2012; Silverman & Filippenko, 2012; Piro & Nakar, 2013; Mazzali et al., 2013), a high-velocity region of either clumps or an amorphous plumage of opaque Si-, Ca-based material (Gamezo et al., 2004; Leonard et al., 2005; Wang et al., 2007; Maund et al., 2010b; Piro, 2011), and the supposed blue/red-shift of nebular lines emitted from the inner IPE-rich material (Maeda et al., 2010b; McClelland et al., 2013; Silverman et al., 2013a). For at least normal SN Ia, there remain two viable explosion channels (with a few sub- and super-MCh sub-channels) regardless of the hierarchical dominance of each at various redshifts and/or ages of galactic constituents (c.f., Röpke et al. 2012; Hachisu et al. 2012; Seitenzahl et al. 2013; Pakmor et al. 2013; Moll et al. 2013; Claeys et al. 2014). Also, it may or may not be the case that some SN Ia are 2$+$ subtypes viewed upon from various lines of sight amidst variable CSM interaction (Maeda et al., 2010b; Foley et al., 2012a; Scalzo et al., 2012; Leloudas et al., 2013; Dan et al., 2013; Moll et al., 2013; Dessart et al., 2013a). However, with the current lack of complete observational coverage in wavelength, time, and mode (i.e. spectrophotometric and spectropolarimetric observations) for all SN Ia subtypes and “well- observed” events, there is a limit for how much constraint can be placed on many of the proposed explosion models and progenitor scenarios. That is, despite observational indications for and theoretical consistencies with the supposition of multiple progenitor channels, the observed diversity of SN Ia does not yet necessitate that each spectrophotometric subtype be from a distinctly separate explosive binary scenario than that of others within the SN Ia family of observed events; particularly so for normal SN Ia. For the purposes of testing the multifaceted predictions of theoretical explosion models, time series spectroscopic observations of SN Ia serve to visualize the post-explosion material of an unknown progenitor system. For example during the summer of 2011 astronomers bore witness to SN 2011fe, the best observed normal type Ia supernova of the modern era. The prompt discovery and follow-up of this nearby event uniquely allowed for a more complete record of observed properties than all previous well-observed events. More specifically, the full range (in wavelength and time) of rapid spectroscopic changes was documented with continual day-to-day follow-up into the object’s post-maximum light phases and well beyond. However, the observational side of visualizing other SN Ia remains inefficient without the logistical coordination of many telescope networks (e.g., LCOGT; Brown et al. 2013), telescopes large enough to make nearly all SN “nearby” in terms of improved signal-to-noise ratios (e.g., The Thirty Meter Telescope, The Giant Magellan Telescope), or a space-based facility dedicated to the study of such time sensitive UV$-$optical$-$NIR transients. Existing SN Ia surveys are currently acting toward optimizing a steady flow of discoveries, while other programs have produced a significant number of publicly available spectra (Richardson et al., 2001; Matheson et al., 2008; Blondin et al., 2012; Yaron & Gal-Yam, 2012; Silverman et al., 2012c; Folatelli et al., 2013). However, for the longterm future we believe it is imperative to begin a discussion of a larger (digital) network of international collaboration by way of (data-) cooperative competition like that done for both The Large Hadron Collider Experiment and Fermi Lab’s Tevatron, with multiple competing experiments centered about mutual goals and mutual resources. Otherwise we feel the simultaneous collection of even very high quality temporal datasets by multiple groups will continue to create an inefficient pursuit of over-observing the most high profile event(s) of the year with a less than complete dataset. Such observational pursuits require an increasingly focused effort toward observing bright and nearby events. For example, 206 supernovae were reported in 1999 and 67 were brighter than 18th magnitude while only three reached $\sim$ 13 magnitude212121Quoted from the archives page of http://www.rochesterastronomy.org/snimages/.. By 2012 the number of found supernovae increased to 1045 while 78 were brighter than 16th magnitude and five brighter than 13th magnitude. This clearly indicates that supernovae caught early are more prevalent than $\sim$ 15 years ago and it is worthwhile for multiple groups to continually increase collaborative efforts for the brightest events. Essentially this could be accomplished without interfering with spectrum-limited high[er]-z surveys by considering a distance threshold ($\lesssim$ 10$-$30 Mpc) as part of the public domain. Additionally, surveys that corroborate the immediate release of discoveries would further increase the number of well-observed events and could be supplemented and sustained with staggered observations given that there are two celestial hemispheres, unpredictable weather patterns, and caught-early opportunities nearly every week during active surveying. In conclusion, to extract details of the spectroscopic behavior for all SN Ia subtypes, during all phases, larger samples of well-observed events are essential, beginning from as close to the onset of the explosion as possible (e.g., SN 1999ac, 2009ig, 2011fe, 2012cg, 2012fr), where SN Ia homogeneity diverges the most (see Zheng et al. 2013 for the most recent instance in SN 2013dy). Near-continuous temporal observations are most important for at least the first 1$-$2 months post-explosion and biweekly to monthly follow-up thereafter for $\sim$ 1 year. SN Ia spectra are far too complicated to do so otherwise. Even normal SN Ia deserve UV$-$optical$-$IR spectroscopic follow-up at a 1:1 to 2:1 ratio between days passed and spectrum taken, whenever possible, given that fine differences between normal SN Ia detail the variance in explosion mechanism parameters and initial conditions of their unobserved progenitor systems. It is through such observing campaigns that the true diversity to the underlying nature of SN Ia events will be better understood. Acknowledgements This work was supported in part by NSF grant AST-0707704, and US DOE Grant DE- FG02- 07ER41517, and by SFB 676, GRK 1354 from the DFG. Support for Program number HST-GO- 12298.05-A was provided by NASA through a grant from the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Incorporated, under NASA contract NAS5-26555. We wish to acknowledge the use of the Kurucz & Bell (1995) line list and colorbrewer2.org for the construction of Figure 3. This review was made possible by collaborative discussions at the 2011 UC-UC- HIPACC International AstroComputing Summer School on Computational Explosive Astrophysics. We would like to thank Dan Kasen and Peter Nugent for organizing the program and providing the environment for a productive summit, and we hope that such programs for summer learning opportunities will continue in the future. We worked on this review during the visits of MP to the Homer L. Dodge Department of Physics and Astronomy, University of Oklahoma, Norman, OK, USA., McDonnell Center for the Space Science, Department of Physics, Washington University in St. Louis, USA., National Astronomical Observatory of Japan (NAOJ), Mitaka, Tokyo, Japan., and Inter-University Centre for Astronomy and Astrophysics (IUCAA), Pune, India. MP is thankful to Prof. David Branch, Prof. Eddie Baron, Prof. Ramanath Cowsik, Prof. Shoken Miyama, Prof. Masahiko Hayashi, Prof. Yoichi Takeda, Prof. Wako Aoki, Prof. Ajit Kembhavi, Prof. Kandaswamy Subramanian, and Prof. T. Padamanabhan for their kind support, encouragement, and hospitality. JTP would like to thank the University of Oklahoma Supernova Group, Rollin Thomas, and Alicia Soderberg for several years of support and many enlightening discussions on reading supernova spectra. JTP wishes to acknowledge helpful discussions with B. Dilday, R. A. Fesen, R. Foley, M. L. Graham, D. A. Howell, G. H. Marion, D. Milisavljevic, P. Milne, D. Sand, and S. Valenti, as well as S. Perlmutter for an intriguing conversation on “characteristic information of SN Ia” at the 221st American Astronomical Society Meeting in Long Beach, CA. JTP is also indebted to Natalie Buckley-Medrano for influential comments on the text and figures presented here. Finally, we would like to pay special tribute to our referee, Michael Childress, whose critical comments and suggestions were substantially helpful for the presentation of this review. Table 1 : References for Spectra in Figures 5$-$13 SN Name | References ---|--- SN 1981B | Branch et al. 1983 SN 1986G | Cristiani et al. 1992 SN 1989B | Barbon et al. 1990; | Wells et al. 1994 SN 1990N | Mazzali et al. 1993; | Gómez & López 1998 SN 1991T | Filippenko et al. 1992a; | Gómez & López 1998 SN 1991bg | Filippenko et al. 1992b; | Turatto et al. 1996 SN 1994D | Patat et al. 1996; | Ruiz-Lapuente 1997; | Gómez & López 1998; | Blondin et al. 2012 SN 1994ae | Blondin et al. 2012 SN 1995D | Sadakane et al. 1996; | Blondin et al. 2012 SN 1996X | Salvo et al. 2001; | Blondin et al. 2012 SN 1997br | Li et al. 1999; | Blondin et al. 2012 SN 1997cn | Turatto et al. 1998 SN 1998aq | Branch et al. 2003 SN 1998bu | Jha et al. 1999; | Matheson et al. 2008 SN 1998de | Modjaz et al. 2001; | Matheson et al. 2008 SN 1998es | Matheson et al. 2008 SN 1999aa | Garavini et al. 2004 SN 1999ac | Garavini et al. 2005; | Phillips et al. 2006; | Matheson et al. 2008 SN 1999by | Garnavich et al. 2004; | Matheson et al. 2008 SN 1999ee | Hamuy et al. 2002 SN 2000E | Valentini et al. 2003 SN 2000cx | Li et al. 2001 SN 2001V | Matheson et al. 2008 SN 2001ay | Krisciunas et al. 2011 SN 2001el | Wang et al. 2003 SN 2002bo | Benetti et al. 2004; | Blondin et al. 2012 SN 2002cx | Li et al. 2003 Table 2 : References for Spectra in Figures 5$-$13 SN Name | References ---|--- SN 2002dj | Pignata et al. 2008; | Blondin et al. 2012 SN 2002er | Kotak et al. 2005 SN 2003cg | Elias-Rosa et al. 2006; | Blondin et al. 2012 SN 2003du | Gerardy et al. 2004; | Anupama et al. 2005b; | Leonard et al. 2005; | Stanishev et al. 2007; | Blondin et al. 2012 SN 2003hv | Leloudas et al. 2009; | Blondin et al. 2012 SN 2004S | Krisciunas et al. 2007 SN 2004dt | Leonard et al. 2005; | Altavilla et al. 2007; | Blondin et al. 2012 SN 2004eo | Pastorello et al. 2007a SN 2005am | Blondin et al. 2012 SN 2005cf | Garavini et al. 2007; | Wang et al. 2009b; | Bufano et al. 2009 SN 2005cg | Quimby et al. 2006b SN 2005hk | Chornock et al. 2006; | Phillips et al. 2007; | Blondin et al. 2012 SN 2005hj | Quimby et al. 2007 SN 2006D | Blondin et al. 2012 SN 2006X | Wang et al. 2008a; | Yamanaka et al. 2009b; | Blondin et al. 2012 SN 2006bt | Foley et al. 2010b SN 2006gz | Hicken et al. 2007 SN 2007ax | Blondin et al. 2012 SN 2007if | Silverman et al. 2011; | Blondin et al. 2012 SN 2008J | Taddia et al. 2012 SN 2008ha | Foley et al. 2009 SN 2009dc | Silverman et al. 2011; | Taubenberger et al. 2011 PTF09dav | Sullivan et al. 2011b SN 2011fe | Parrent et al. 2012 SN 2011iv | Foley et al. 2012b Table 3 : References for M${}_{\emph{B}}$(Peak) and $\Delta$m15(_B_) plotted in Figure 14: 1981$-$1992 SN Name | References ---|--- SN 1981B | Leibundgut et al. 1993; | Saha et al. 1996; | Hamuy et al. 1996; | Saha et al. 2001b SN 1984A | Barbon et al. 1989 SN 1986G | Filippenko et al. 1992b; | Ruiz-Lapuente & Lucy 1992; | Leibundgut et al. 1993 SN 1989B | Barbon et al. 1990; | Wells et al. 1994; | Richmond et al. 1995; | Saha et al. 1999; | Contardo et al. 2000; | Saha et al. 2001a SN 1990N | Saha et al. 1997; | Lira et al. 1998; | Saha et al. 2001a SN 1991T | Leibundgut et al. 1993; | Lira et al. 1998; | Phillips et al. 1999; | Krisciunas et al. 2004; | Contardo et al. 2000; | Saha et al. 2001b; | Tsvetkov et al. 2011 SN 1991bg | Leibundgut et al. 1993; | Turatto et al. 1996; | Mazzali et al. 1997; | Contardo et al. 2000 SN 1992A | Leibundgut et al. 1993; | Hamuy et al. 1996; | Drenkhahn & Richtler 1999; | Contardo et al. 2000 SN 1992K | Hamuy et al. 1994 SN 1992al | Misra et al. 2005 SN 1992bc | Maza et al. 1994; | Contardo et al. 2000 SN 1992bo | Maza et al. 1994; | Contardo et al. 2000 Table 4 : References for M${}_{\emph{B}}$(Peak) and $\Delta$m15(_B_) plotted in Figure 14: 1994$-$1999 SN Name | References ---|--- SN 1994D | Hoflich et al. 1995; | Richmond et al. 1995; | Patat et al. 1996; | Vacca & Leibundgut 1996; | Drenkhahn & Richtler 1999; | Contardo et al. 2000 SN 1994ae | Contardo et al. 2000 SN 1995D | Sadakane et al. 1996; | Contardo et al. 2000 SN 1996X | Phillips et al. 1999; | Salvo et al. 2001 SN 1997br | Li et al. 1999 SN 1997cn | Turatto et al. 1998 SN 1998aq | Riess et al. 1999; | Saha et al. 2001a SN 1998bu | Jha et al. 1999; | Hernandez et al. 2000; | Saha et al. 2001a SN 1998de | Modjaz et al. 2001 SN 1998es | Jha et al. 2006b; | Tsvetkov et al. 2011 SN 1999aa | Krisciunas et al. 2000; | Li et al. 2003; | Tsvetkov et al. 2011 SN 1999ac | Jha et al. 2006b; | Phillips et al. 2006 SN 1999aw | Strolger et al. 2002 SN 1999by | Vinkó et al. 2001; | Howell et al. 2001; | Garnavich et al. 2004; | Sullivan et al. 2011b SN 1999ee | Stritzinger et al. 2002; | Krisciunas et al. 2004 Table 5 : References for M${}_{\emph{B}}$(Peak) and $\Delta$m15(_B_) plotted in Figure 14: 2000$-$2005 SN Name | References ---|--- SN 2000E | Valentini et al. 2003 SN 2000cx | Li et al. 2001; | Candia et al. 2003; | Sollerman et al. 2004 SN 2001V | Vinkó et al. 2003 SN 2001ay | Krisciunas et al. 2011 SN 2001el | Krisciunas et al. 2003 SN 2002bo | Benetti et al. 2004; | Stehle et al. 2005 SN 2002cv | Elias-Rosa et al. 2008 SN 2002cx | Li et al. 2003 SN 2002dj | Pignata et al. 2008 SN 2002er | Pignata et al. 2004 SN 2003cg | Elias-Rosa et al. 2006 SN 2003du | Anupama et al. 2005b; | Stanishev et al. 2007; | Tsvetkov et al. 2011 SN 2003fg | Howell et al. 2006; | Yamanaka et al. 2009b | Scalzo et al. 2010 SN 2003hv | Leloudas et al. 2009 SN 2004S | Misra et al. 2005; | Krisciunas et al. 2007 SN 2004dt | Altavilla et al. 2007 SN 2004eo | Pastorello et al. 2007a SN 2005am | Brown et al. 2005 SN 2005bl | Taubenberger et al. 2008; | Hachinger et al. 2009 SN 2005cf | Pastorello et al. 2007b; | Wang et al. 2009b SN 2005hk | Phillips et al. 2007 Table 6 : References for M${}_{\emph{B}}$(Peak) and $\Delta$m15(_B_) plotted in Figure 14: 2006$-$2012 SN Name | References ---|--- SN 2006X | Wang et al. 2008b SN 2006bt | Hicken et al. 2009b; | Foley et al. 2010b SN 2006gz | Hicken et al. 2007; | Scalzo et al. 2010 SN 2007ax | Kasliwal et al. 2008 SN 2007if | Scalzo et al. 2010 SN 2007qd | McClelland et al. 2010 SN 2008J | Taddia et al. 2012 SN 2008ha | Foley et al. 2009 SN 2009dc | Yamanaka et al. 2009b; | Scalzo et al. 2010; | Silverman et al. 2011; | Taubenberger et al. 2011 SN 2009ig | Foley et al. 2012c SN 2009ku | Narayan et al. 2011 SN 2009nr | Khan et al. 2011b; | Tsvetkov et al. 2011 PTF09dav | Sullivan et al. 2011b SN 2010jn | Hachinger et al. 2013 SN 2011fe | Richmond & Smith 2012; | Munari et al. 2013; | Pereira et al. 2013 SN 20011iv | Foley et al. 2012b SN 2012cg | Silverman & Filippenko 2012; | Munari et al. 2013 SN 2012fr | Childress et al. 2013c ## Appendix A Some recent SN Ia, Continued ### A.1 Peculiar SN 1997br in ESO 576-G40 Li et al. (1999) presented observations of the peculiar SN 1991T-like, SN 1997br (Bao Supernova Survey et al., 1997). Hatano et al. (2002) analyzed the spectra of SN 1997br and raised the question of whether or not Fe III and Ni III features in the early spectra are produced by 54Fe and 58Ni rather than by 56Fe and 56Ni. In addition, Hatano et al. (2002) discussed the issue of SN 1991T-like events as more powerful versions of normal SN Ia, rather than a physically distinct subgroup of events. ### A.2 SN 1997cn in NGC 5490 Turatto et al. (1998) studied the faint SN 1997cn, which is located in an elliptical host galaxy (Li et al., 1997; Turatto et al., 1997). Like SN 1991bg, spectra of SN 1997cn show a deep Ti II trough between 4000 and 5000 Å, strong Ca II IR3 absorption features, a large $\mathcal{R}$(“Si II”), and slow mean expansion velocities. ### A.3 SN 1997ff and other “farthest known” SN Ia With a redshift of z = 1.7, SN 1997ff was the most distant SN Ia discovered at that time (Riess et al., 2001; Benítez et al., 2002). There have been $\sim$110 high-z (1 $<$ z $<$ 2) SN Ia discoveries since SN 1997ff (Riess et al., 2004, 2007; Suzuki et al., 2012), with the most recent and and one of the most distant SN Ia known being “SN UDS10Wil” at z = 1.914 (Jones et al., 2013). With these and future observations of “highest-z” SN Ia, constraints on DTD timescales (Strolger et al., 2010; Graur et al., 2013) and dark energy (Rubin et al., 2013) will certainly improve. ### A.4 SN 1998aq in NGC 3982 Branch et al. (2003) used SYNOW to study 29 optical spectra of the normal SN 1998aq (Hurst et al., 1998), covering 9 days before to 241 days after maximum light (days $-$9 and $+$241, respectively). Notably, they find evidence for C II down to 11,000 km s-1, $\sim$ 3000 km s-1 below the cutoff of carbon in the pure deflagration model, W7 (Nomoto et al., 1984). ### A.5 SN 1999aa in NGC 2595 From day $-$11 to day $+$58, Garavini et al. (2004) obtained 25 optical spectra of SN 1999aa (Armstrong & Schwartz, 1999). While SN 1999aa appears SN 1991T-like, Garavini et al. (2004) note that the Ca II absorption feature strengths are between those of SN 1991T (SS) and the SN 1990N (CN), along with a phase transition to normal SN Ia characteristics that sets in earlier than SN 1991T. Subsequently, they suggest SN 1999aa to be a link between SN 1991T-likes and spectroscopically normal SN Ia. Evidence of carbon-rich material is also found in SN 1999aa; decisively as C II $\lambda$6580, tentatively as C III $\lambda$4649 (see Parrent et al. 2011). A schematic representation of their SYNOW fitting results is also presented, showing the inference of Co II, Ni II, and Ni III during the pre-maximum phases. These results deserve further study from more detailed models. ### A.6 SN 1999ac in NGC 2841 Between day $-$15 and day $+$42, Garavini et al. (2005) obtained spectroscopic observations of the unusual SN 1999ac (Modjaz et al., 1999). The pre-maximum light spectra are similar to that of SN 1999aa-like, while appearing spectroscopically normal during later epochs. Garavini et al. (2005) find evidence of a fairly conspicuous, heavily blended C II $\lambda$6580 feature in the day $-$15 spectrum with approximate ejection velocities $>$16,000 km s-1. By day $-$9, the C II absorption feature is weak or absent amidst blending with the neighboring 6100 Å feature. This alone indicates that studies cannot fully constrain SN Ia models without spectra prior to day $-$10. ### A.7 SN 1999aw in a low luminosity host galaxy Strolger et al. (2002) find SN 1999aw to be a luminous, slow-declining SN Ia, similar to 1999aa-like events. Strolger et al. (2002) derive a peak luminosity of 1.51 x 1043 and a 56Ni mass of 0.76 M⊙. ### A.8 SN 1999by in NGC 2841 Vinkó et al. (2001) presented and discussed the first three pre-maximum light spectra of SN 1999by (Arbour et al., 1999), where they find it to be a sub- luminous SN Ia similar to SN 1991bg (Filippenko et al., 1992b; Leibundgut et al., 1993; Turatto et al., 1996), SN 1992K (Hamuy et al., 1994), SN 1997cn (Turatto et al., 1998), and SN 1998de (Modjaz et al., 2001); in addition, the list of sub-luminous SN Ia include SN 1957A, 1960H, 1971I, 1980I, 1986G (see Branch et al. 1993; Doull & Baron 2011 and references therein) and several other recently discovered under-luminous SN Ia (Howell, 2001; McClelland et al., 2010; Hachinger et al., 2009). Pre-maximum spectra of SN 1999by show relatively strong features due to O, Mg, and Si, which are due to explosive carbon burning. In addition, blue wavelength regions reveal spectra dominated by Ti II and some other IPEs. Meanwhile, Höflich et al. (2002) studied the infrared spectra of SN 1999by, covering from day $-$4 to day $+$14\. Post-maximum spectra show features which can be attributed to incomplete Si burning, while further support for incomplete burning comes from the detection of a pre-maximum C II absorption feature (Garnavich et al., 2004). Höflich et al. (2002) analyzed the spectra through the construction of an extended set of delayed detonation models covering the entire range of normal to sub-luminous SN Ia. They estimate the 56Ni mass for SN 1999by to be on the order of 0.1 M⊙. Garnavich et al. (2004) obtained _UBVRIJHK_ light curves of SN 1999by. From the photometry of SN 1999by, the recent Cepheid distance to NGC 2841 (Macri et al., 2001), and minimal dust extinction along the line-of-sight, Garnavich et al. (2004) derive a peak absolute magnitude of M${}_{\emph{B}}$ = $-$17.15. In order to assess the role of material asymmetries as being responsible for the observed peculiarity of sub-luminous SN Ia, Howell et al. (2001) obtained polarization spectra of SN 1999by near maximum light. They find relatively low levels of polarization (0.3%$-$0.8%), however significant enough to be consistent with a 20% departure from spherical symmetry (Maund et al., 2010b). ### A.9 SN 1999ee in IC 5179 From day $-$10 to day $+$53, Stritzinger et al. (2002) obtained well-sampled _UBVRIz_ light curves of SN 1999ee (Maza et al., 1999). They find the _B_ -band light curve is broader than normal SN Ia, however sitting toward the over-luminous end of SN Ia peak brightnesses, with M${}_{\emph{B}}$ = $-$19.85 $\pm$ 0.28 and $\Delta$m15 = 0.94. Hamuy et al. (2002) obtained optical and infrared spectroscopy of SN 1999ee between day $-$9 and day $+$42\. Before maximum light, the spectra of SN 1999ee are normal, with relatively strong Si II 6100 Å absorption, however within the SS subtype (Branch et al., 2009). Hamuy et al. (2002) compared the infrared spectra of SN 1999ee to that of other SN Ia out to 60 days post- explosion, and find similar characteristics for SN 1999ee and 1994D (Meikle et al., 1996). ### A.10 SN 2000E in NGC 6951 Valentini et al. (2003) obtained _UBVRIJHK_ photometry and optical spectra of SN 2000E, which is located in a spiral galaxy. Optical spectra were obtained from 6 days before _B_ -band maximum to 122 days after _B_ -band maximum. The photometric observations span 230$+$ days, starting at day $-$16\. The photometric light curves of SN 2000E are similar to other SS SN Ia, however SN 2000E is classified as a slowly declining, spectroscopically “normal” SN Ia similar to SN 1990N. Valentini et al. (2003) estimate the 56Ni mass to be 0.9 M⊙ from the bolometric light curve. ### A.11 SN 2000cx in NGC 524 One of the brightest supernovae observed in the year 2000 was the peculiar SN 2000cx, located in an S0 galaxy (Yu et al., 2000; Li et al., 2001; Candia et al., 2003). It was classified as a SN Ia with a spectrum resembling that of the peculiar SN 1991T (Chornock et al., 2000). Sollerman et al. (2004) obtained late time _BVRIJH_ light curves of SN 2000cx covering 360 to 480 days after maximum. During these epochs, they find relatively constant NIR magnitudes, indicating the increasing importance (with time) of the NIR contribution to the bolometric light curve. Branch et al. (2004b) decomposed the photospheric-phase spectra of SN 2000cx with SYNOW. Apart from confirming HVFs of Ca II IR3 (which are consistent with primordial abundances; Thomas et al. 2004), Branch et al. (2004b) also find HVFs of Ti II. They attribute the odd behavior of SN 2000cx’s _B_ -band light curve to the time-dependent behavior of these highly line blanketing Ti II absorption signatures. Branch et al. (2004b) find an absorption feature near 4530 Å in the spectra of SN 2000cx that can be tentatively associated with H$\beta$ at high velocities, however this feature is more likely due to C III $\lambda$4649 or S II/Fe II instead (see Parrent et al. 2011 and references therein). Rudy et al. (2002) obtained 0.8$-$2.5 $\mu$m spectra of SN 2000cx at day $-$7 and day $-$8 before maximum light. From the $\lambda$10926 line of Mg II, they find that carbon-burning has taken place up to $\sim$25,000 km s-1. Given the SS subtype nature of SN 2000cx, the early epoch IR spectra of Rudy et al. (2002) are valuable for comparison with other SN Ia IR datasets. ### A.12 SN 2001V in NGC 3987 Vinkó et al. (2003) presented photometry of SN 2001V (Jha et al., 2001). They find that SN 2001V is over-luminous, relative to the majority of SN Ia. Spectroscopic observations, spanning from day $-$14 to day $+$106, can be found in Matheson et al. (2008) and reveal it to be a SS SN Ia, consistent with its observed brightness. ### A.13 Slowly declining SN 2001ay in IC 4423 Krisciunas et al. (2011) obtained optical and near infrared photometry, and optical and UV spectra of SN 2001ay (Swift et al., 2001). They find maximum light Si II and Mg II line velocities of $\sim$ 14,000 km s-1, with Si III and S II near 9,000 km s-1. SN 2001ay is one of the most slowly declining SN Ia. However, a $\Delta$m15(_B_) = 0.68 is odd given it is not over-luminous like SCC SN Ia slow decliners. In fact, the 56Ni yield of 0.58 is comparable to that of many normal SN Ia. Baron et al. (2012) note this apparent WLR violation is related to a decrease in $\gamma$-ray trapping deeper within the ejecta due to an overall outward shift of 56Ni, thus creating a fast rise in brightness followed by a slow decline caused by enhanced heating of the outer regions of material, which is a consequence of the larger expansion opacities. ### A.14 SN 2001el in NGC 1448 Krisciunas et al. (2003) obtained well-sampled _UBVRIJHK_ light curves of the nearby (about 18 Mpc) and normal SN 2001el (Monard et al., 2001), from day $-$11 to day $+$142\. Because Krisciunas et al. (2003) obtained _UBVRI_ and _JHK_ light curves, they were able to measure a true optical$-$NIR reddening value (A${}_{\emph{V}}$ = 0.57 mag along the line-of-sight) for the first time. Mattila et al. (2005) obtained early time high resolution and low resolution optical spectra of SN 2001el. They estimate the mass loss rate (assuming 10$-$50 km s-1 wind velocities) from the progenitor system of SN 2001el to be no greater than 9 x 10-6 M⊙ yr-1 and 5 x 10-5 M⊙ yr-1, respectively. The low resolution spectrum was obtained 400 days after maximum light with no apparent signatures of hydrogen Balmer lines. High velocity Ca II was detected out to 34,000 km s-1, while the 6100 Å absorption feature is suspected of harboring high velocity Si II (see also Kasen et al. 2003). ### A.15 SN 2002bo in NGC 3190 Between day $-$13 and day $+$102, Benetti et al. (2004) collected optical and NIR spectra and photometry of the BL SN 2002bo (Cacella et al., 2002; Krisciunas et al., 2004). Estimates on host galaxy extinction from Na D equivalent width measurements are consistent with the inferred color excess determined by comparison to the Lira relation (Lira, 1995; Riess et al., 1996; Phillips et al., 1999). From the time-evolution of the 6100 Å absorption feature, Benetti et al. (2004) find that SN 2002bo is an intermediary between the BL SN 1984A and the CN SN 1994D. Benetti et al. (2004) also discuss SN 2002bo argue that some of the IME high velocity material may be primordial, while most is produced during the explosion and possibly by prolonged burning in a delayed detonation. This interpretation is also consistent with a lack of any clear signatures of unburned carbon. Stehle et al. (2005) studied the abundance stratification by fitting a series of spectra with a Monte Carlo code and found that the elements synthesized in different stages of burning are not completely mixed within the ejecta. In the case of SN 2002bo, they derived the total mass of 56Ni to be 0.52 M⊙. Similar to SN 2001ay’s fast rise to maximum light (Baron et al., 2012), Stehle et al. (2005) attribute SN 2002bo’s fast rise to outward mixing of 56Ni. ### A.16 SN 2002cv in NGC 3190 The NIR photometry of SN 2002cv reveal an obscured SN Ia (Di Paola et al., 2002); more than 8 magnitudes of visual extinction. Both optical and NIR spectroscopy indicate SN 2002cv is most similar to SN 1991T (Meikle et al., 2002; Filippenko et al., 2002). It should also be noted that the SS SN 2002cv and the BL SN 2002bo share the same host galaxy. Elias-Rosa et al. (2008) obtained and analyzed VRIJHK photometry, in addition to a sampling of optical and NIR spectroscopy near and after maximum light, and find a best fit value for the ratio between inferred extinction and reddening, RV = 1.59 $\pm$ 0.07 whereas 3.1 is often assumed for normal SN Ia (however see Tripp 1998; Astier et al. 2006; Krisciunas et al. 2006; Folatelli et al. 2010). They suggest this to indicate varying mean grain sizes for the dust along the line of sight toward SN 2002bo and 2002cv. ### A.17 SN 2002dj in NGC 5018 For two years, and starting from day $-$11, Pignata et al. (2008) monitored the optical and IR behaviors of the SN 2002bo-like, high-velocity gradient SN 2002dj (Hutchings & Li, 2002). The dataset presented make it one of the most well-observed SN 1984A-like SN Ia and is a valuable tool for the discussion of SN Ia diversity. ### A.18 SN 2002er in UGC 10743 From day $-$11 to day $+$215, Kotak et al. (2005) carried out spectroscopic follow-up for the reddened, CN SN 2002er (Wood-Vasey et al., 2002c). By contrast with the photometric behavior seen for SN 1992A, 1994D, and 1996X, SN 2002er stands out for its slightly delayed second peak in the _I_ -band and similarly for _V_ and _R_ -bands. Pignata et al. (2004); Kotak et al. (2005) estimated the mass of 56Ni to be on the order of 0.6 to 0.7 M⊙, where the uncertainty in the exact distance to SN 2002er was the primary limitation. ### A.19 SN 2003du in UGC 09391 For 480 days, and starting from day $-$13, Stanishev et al. (2007) monitored the CN SN 2003du. From modeling of the bolometric light curve, Stanishev et al. (2007) estimate the mass of 56Ni to between 0.6 and 0.8 M⊙. Like other normal SN Ia, the early spectra of SN 2003du contain HVFs of Ca II and a 6100 Å feature that departs from being only due to photospheric Si II, suggesting either a distinctly separate region of HV Si II or the radial extension of opacities from below. Tanaka et al. (2011) studied the chemical composition distribution in the ejecta of SN 2003du by modeling a one year extended time series of optical spectra. Tanaka et al. (2011) do not find SN 2003du to be as fully mixed as a some 3D deflagration models. Specifically, from their modeling Tanaka et al. (2011) that the a core of stable IPEs supersedes 56Ni out to $\sim$ 3000 km s-1 ($\lesssim$ 0.2 in mass coordinate). Atop this 0.65 M⊙ of 56Ni are layers of IMEs, while the outermost layers consist of oxygen, some silicon, and no more than 0.016 M⊙ of carbon above 10,500 km s-1. ### A.20 SN 2003gs in NGC 936 Krisciunas et al. (2009) obtained near-maximum to late time optical and NIR observations of SN 2003gs, offering a chance to study the post-maximum light bolometric behavior of a fast declining SN Ia that was sub-luminous at optical wavelengths, but of standard luminosity in NIR bands at maximum light. Krisciunas et al. (2009) find $\Delta$m15(_B_) = 1.83 $\pm$ 0.02 and discuss comparisons to other fast decliners; namely, SN 2003hv (Leloudas et al., 2009), SN 2004gs (Folatelli et al., 2010; Contreras et al., 2010), SN 2005bl (Taubenberger et al., 2008; Folatelli et al., 2010; Wood-Vasey et al., 2008), and SN 2005ke, 2006gt, and 2006mr (Folatelli et al., 2010; Contreras et al., 2010). In particular, Krisciunas et al. (2009) note that, in contrast to normal and over-luminous SN Ia, the delay in the time of _J_ -band maximum from that of the _B_ -band, for fast decliners, is inversely proportional to the peak NIR magnitude. Furthermore, they discussed the possibility for two subsets of FAINT$-$CL fast decliners; those that do and do not show a _J_ -band peak before the _B_ -band (see also Kattner et al. 2012); respectively, SN 1986G, 2003gs, 2003hv, and 2006gt, and SN 1991bg, 1999by, 2005bl, 2005ke, and 2006mr. Krisciunas et al. (2009) conclude that differences in NIR opacity within the outer layers are responsible for dissimilar $\gamma$-ray trapping, and therefore longer _J_ -band than _B_ -band diffusion times for FAINT$-$CL SN Ia that are fainter in the NIR. However, the origin (differences of explosion mechanism and/or progenitor systems) for this apparent ‘bimodal’ difference in NIR opacity is not clear. For SN 2003gs, Krisciunas et al. (2009) used _UBVRIJHK_ photometry and Arnett’s rule (Arnett 1982, but also see Stritzinger & Leibundgut 2005) to estimate 0.25 M⊙ of 56Ni was produced during the explosion. As for the optical spectra, SN 2003gs is similar to SN 2004eo (A.23) in that it is found to have absorption signatures that are consistent with its photometric characteristics; a FAINT$-$CL SN Ia with a larger than normal $\mathcal{R}$(Si II) and the presence of Ti II features near 4000$-$4500 Å. ### A.21 SN 2003hv in NGC 1201 Leloudas et al. (2009) studied SN 2003hv out to very late phases (day $+$786). Notably, this seemingly spectroscopically normal SN Ia has $\Delta$m15(_B_) = 1.61, while the late time light curves show a deficit in flux that follow the decay of radioactive 56Co, assuming full and instantaneous positron trapping. Leloudas et al. (2009) consider this as possibly due to a redistribution of flux for SN 2003hv (a.k.a. an infrared catastrophe, see Axelrod 1980) from a dense clumping of inner material, and would also explain the flat-topped nebular emission lines (Motohara et al., 2006; Gerardy et al., 2007). Mazzali et al. (2011) also studied the nebular spectrum of 2003hv and consider it as a non-standard event. They note that its late time flux deficit, compared to normal SN Ia, could be due to SN 2003hv having a lower mean density structure, possibly consistent with a sub-Chandrasekhar mass origin. Motohara et al. (2006) presented NIR Subaru Telescope spectra of SN 2003du, 2003hv, and 2005W during their late phase evolution ($+$200 days post-maximum light). For both SN 2003du and 2003hv, they find a flat-topped [Fe II] $\lambda$16440 emission feature that is blue-shifted by $\sim$ 2000 km s-1 from the SN rest frame (FWHM $\sim$ 4000 km s-1). Motohara et al. (2006) further argue that the [Fe II] emission would be rounded on top if the neutron-rich Fe-peak isotopes produced in the explosion were thoroughly mixed with the surrounding distribution of 56Ni; for SN 2003du and 2003hv they suggest that this is not the case. In fact, they find that SN 1991T and 2005W (see their Fig. 1), at least, may represent instances where the inner most regions have been thoroughly mixed. Similarly, Gerardy et al. (2007) looked to address the nature of the thermonuclear burning front by utilizing late time ($+$135 days) mid-IR (5.2$-$15.2 $\mu$m) _Spitzer Space Telescope_ spectra of SN 2003hv and 2005df. In particular, Gerardy et al. (2007) find direct evidence in SN 2005df for a small inner zone of nickel that is surrounded by 56Co and an asymmetric shell- like structure of Ar. While it is not clear _why_ a supposed initial deflagration phase of a DDT explosion mechanism produces little to no mixing for these two SN Ia, the observations of Gerardy et al. (2007) give strong support for a stratified abundance tomography like those seen in DDT-like models; the various species of material are restricted to radially confined zones, which is inconsistent with the large-scale mixing that is expected to occur in 3D deflagration models. This is also in agreement with X-ray observations of the Tycho supernova remnant (Badenes et al., 2006) in addition to optical and UV line resonance absorption imaging of SNR 1885 in M31 (Fesen et al., 2007). ### A.22 SN 2004dt in NGC 0799 Wang et al. (2006) and Altavilla et al. (2007) studied the early spectral evolution of SN 2004dt from more than a week before optical maximum, when line profiles show matter moving at velocities as high as 25,000 km s-1. The variation of the polarization across some Si II lines approaches 2%, making SN 2004dt one of the most highly polarized SN Ia observed and an outlier in the polarization-nebular velocity plane (Maund et al., 2010b). In contrast with the polarization associated with Si II, Wang et al. (2006) find that the strong 7400 Å O I$-$Mg II absorption complex shows little or no polarization signature. Wang et al. (2006) conclude this is due to a spherical geometry of oxygen-rich material encompassing a lumpy distribution of IMEs. ### A.23 SN 2004eo in NGC 6928 Pastorello et al. (2007a) presented optical and infrared observations of the transitional normal, CL SN 2004eo (Nakano et al., 2004). The light curves and spectra appear normal (M${}_{\emph{B}}$ = $-$19.08) while exhibiting low mean expansion velocities and a fast declining _B_ -band light curve ($\Delta$m15(_B_) = 1.46). The observed properties of SN 2004eo signify it is intermediate between FAINT, LVG, and HVG SN Ia. Mazzali et al. (2008) also consider SN 2004eo as a spectroscopically normal SN Ia that produced 0.43 $\pm$ 0.05 M⊙ of 56Ni. ### A.24 SN 2005am in NGC 2811 Between day $-$4 and day $+$69, Brown et al. (2005) obtained UV, optical, and X-ray observations with the _Swift_ satellite of the SN 1992A-like SN 2005am (Kirshner et al., 1993; Modjaz et al., 2005). They place an upper limit on SN 2005am’s X-ray luminosity (0.3$-$10 keV) of 6 x 1039 erg s-1. ### A.25 Under-luminous SN 2005bl in NGC 4070 Both Taubenberger et al. (2008) and Hachinger et al. (2009) studied the sub- luminous SN 2005bl with observations made between day $-6$ and day $+$66, and carried out spectral analysis (“abundance tomography”) of SN 2005bl (Morrell et al., 2005). They find it to be one of incomplete burning similar to SN 1991bg and 1999by. Compared to SN 1991bg, a noteworthy difference of SN 1999by is the likely presence of carbon C II in pre-maximum spectra (Taubenberger et al., 2008), whereas C I $\lambda$10691 is also clearly detected in NIR spectra (Höflich et al., 2002). However, this is likely a biased comparison to SN 1991bg given that the earliest spectrum obtained was on day $-$1 (potentially too late to detect unburned material via C II $\lambda$6580). To our knowledge no conspicuous C I $\lambda$10691 absorption features have been documented for other SN Ia. For example, C I $\lambda$10691 is present in the pre-maximum spectra of SN 2011fe but it is not a conspicuous signature. Similarly, pre- maximum spectra of SN 2005bl show less conspicuous detections of C I and C II but still indicate low burning efficiency with a significant amount of leftover unburned material (Taubenberger et al., 2008). Hachinger et al. (2009) suggest that a detonation at low pre-expanded densities is responsible for the abundance stratification of IMEs seen in the spectra of SN 2005bl. This would also explain the remaining carbon-rich material seen for some CL SN Ia when caught early enough. ### A.26 SN 2005cf in MCG-01-39-003 Wang et al. (2009b) studied UV$-$optical$-$NIR observations of the normal SN 2005cf (see also Pastorello et al. 2007b). During the early evolution of the spectrum, HVFs of Ca II and Si II are found to be present above 18,000 km s-1 (confirming observations of Garavini et al. 2007). Gall et al. (2012) studied the NIR spectra of SN 2005cf at epochs from day $-$10 to day $+$42, which show clear signatures of Co II during post-maximum phases. In addition, they attribute fluorescence emission in making the underlying shape of the SED. ### A.27 SN 2005cg in a low-luminosity, star forming host Quimby et al. (2006b) presented and discussed the spectroscopic evolution and light curve of the SS SN 2005cg, which was discovered by ROTSE-IIIc. Pre- maximum spectra reveal HVFs of Ca II and Si II out to $\sim$ 24,000 km s-1 and Quimby et al. (2006b) find good consistency between observed and modeled Si II profiles. They interpret the steep rise in the blue wing of the Si II to be an indication of circumstellar interaction given that abundance estimates for HVFs suggest modest amounts of swept up material ($\sim$ 10-4 $-$ 10-3 M⊙; see Quimby et al. 2006b; Branch et al. 2006). ### A.28 SN 2005hj Quimby et al. (2007) obtained optical spectra of the SS SN 2005hj during pre- maximum and post-maximum light phases. From a ROTSE-IIIb unfiltered light curve, SN 2005hj reached an over-luminous peak absolute magnitude of $-$19.6 (assuming z = 0.0574). Interestingly, the sharp and shallow 6100 Å feature remains fairly stagnant at $\sim$ 10,600 km s-1 near and after maximum light, with a sudden decrease at later epochs. Similar to Quimby et al. (2006b), Quimby et al. (2007) find this also consistent with the interpretation that CSM is influencing spectral profiles of SN 1999aa-like SN Ia (see also Scalzo et al. 2010, 2012). ### A.29 SN 2006D in MCG-01-33-034 Thomas et al. (2007) obtained the spectra of the spectroscopically normal SN 2006D from day $-$7 to day $+$13\. The spectra show one of the clearest signatures of carbon-rich material at photospheric velocities observed in a _normal_ SN Ia (below 10,000 km s-1). The 6300 Å carbon feature becomes weaker with time and disappears as the photosphere recedes and the SN reaches maximum brightness. These observations$-$like all SN Ia diversity studies$-$underscore the importance of obtaining spectra of SN Ia during all phases. If [O I] and [C I] lines are present in the spectra during post-maximum light phases at velocities below 10,000 km s-1, this would indicate the presence of unburned matter. These particular lines have not been detected, however the absence of said signatures does not imply a complete lack of C+O material at low velocities (Baron et al., 2003; Kozma et al., 2005). ### A.30 SN 2006X in M100 Wang et al. (2008b) presented _UBVRI_ and _JK_ light curves and optical spectroscopy of the reddened BL SN 2006X (Stockdale et al., 2006; Immler, 2006; Quimby et al., 2006a) and find high mean expansion velocities during pre-maximum light phases ($\gtrsim$ 20,000 km s-1). Wang et al. (2008b) suggest the observed properties of SN 2006X may be due to interaction with CSM. Yamanaka et al. (2009b) also presented and discussed the early spectral evolution. They note that the $\mathcal{R}$(Si II) ratio is unusually low for such a high-velocity gradient SN Ia. However, rather than this being an indication of low effective temperature, they suggest that the low $\mathcal{R}$(Si II) value is due to line-blending, likely from a higher velocity component of Si II. Both Wang et al. (2008b) and Yamanaka et al. (2009b) find the observed properties of SN 2006X to be consistent with characteristics of delayed detonation models. Equipped with high resolution spectra of narrow Na D signatures spanning $\sim$100 days post-maximum light, Patat et al. (2007) infer the presence of intervening CSM and argue a mass loss history associated with SN 2006X in the decades prior to explosion. In fact, at least half of all SN Ia with narrow rest frame, blue-shifted Na D absorption profiles are associated with high ejecta velocities (Sternberg et al., 2011; Foley et al., 2012a). This indicates that CSM outflows are either present in some explosion scenarios _or_ associated with all progenitors scenarios at some point during the lead up to the explosion. Patat et al. (2009) later discussed the VLT spectropolarimetry of SN 2006X. In particular, they find that the presence of the high-velocity Ca II is coincident with a relatively high polarization signature ($\sim$1.4%) at day $-$10, that diminishes by only $\sim$15% near maximum light, and is still present 41 days later. Patat et al. (2009) note that this day $+$40 detection is not seen for SN 2001el (Wang et al., 2003) or SN 2004du (Leonard et al., 2005). As for the high-velocity Si II, its polarization signature is seen to peak ($\sim$1.1%) at day $-$6, drop by $\sim$30% near maximum, and is undetected well into the post-maximum phase. While the findings of spectropolarimetry studies of SN Ia are thought to be associated with, for example, “deflagration phase plumes” with time-dependent photospheric covering fractions, Patat et al. (2009) are unable to conclude why SN 2006X exhibits a sizable post-maximum light re-polarization signature by day $+$39. ### A.31 SN 2006bt in CGCG 108-013 Foley et al. (2010b) obtained optical light curves and spectra of transitional CN/CL SN 2006bt (Lee & Li, 2006). The _B_ -band decline rate, $\Delta$m15(B) = 1.09, is within the range that is observed for normal SN Ia, however SN 2006bt shows a larger than normal $\mathcal{R}$(Si II), slightly lower mean expansion velocities, and a lack of a double peak in the _I_ -band; CL SN 1991bg-like properties. A tentative C II 6300 feature is identified, however with a minimum at $\sim$ 6450 Å. Foley et al. (2010b) suggest this inferred lower projected Doppler velocity could be accounted for by a clump of carbon offset from the line of sight _at_ photospheric velocities. Because of an association within a halo population of its passive host galaxy, Foley et al. (2010b) conclude that the progenitor was also likely to be from an old population of stars. ### A.32 Over-luminous SN 2006gz in IC 1277 Hicken et al. (2007) studied SN 2006gz (Prieto et al., 2006a) and estimated a peak intrinsic _V_ -band brightness of $-$19.74 and $\Delta$m15(_B_) = 0.69, implying M(56Ni) $\sim$ 1.0$-$1.2 M⊙ (assuming $R_{V}$ = 2.1$-$3.1; see also Maeda et al. 2009). The spectroscopic signatures during early phases are relatively narrow on account of slightly lower mean expansion velocities. At two weeks before maximum light, Hicken et al. (2007) attributed a relatively strong 6300 Å feature to C II $\lambda$6580 that diminishes in strength by day $-$10 (Prieto et al., 2006b). Compared to a 5 Å equivalent width 6300 Å absorption feature observed in the CN SN 1990N (Leibundgut et al., 1991; Jeffery et al., 1992), the absorption feature has an observed equivalent width of 25 Å in the early spectra of SN 2006gz (Hicken et al., 2007). So far, spectroscopic modeling that incorporate signatures of C II $\lambda$6580 predict carbon mass fractions, X(C), that span an order of magnitude and are broadly consistent with both single- and double-degenerate scenarios. Maeda et al. (2009) obtained Subaru and Keck observations of 2006gz at late- phases. Interestingly, SN 2006gz shows relatively weak pillars of iron emission that are usually seen in most SN Ia subtypes. ### A.33 Extremely faint, SN 2007ax in NGC 2577 SN 2007ax was a very faint, red, and peculiar SN Ia. Kasliwal et al. (2008) find that it shares similarities with a sub-luminous SN 2005ke (Immler et al., 2006; Hughes et al., 2007; Patat et al., 2012) and also shows clear excess UV emission $\sim$ 20 days post-maximum light. Based on the small amount of synthesized 56Ni that is inferred (0.05 $-$ 0.09 M⊙), along with SN Ia-like expansion velocities near maximum light ($\sim$9000 km s-1), Kasliwal et al. (2008) conclude that SN 2007ax is not compatible with a number of theoretical models that have been proposed to explain FAINT$-$CL SN Ia. ### A.34 Over-luminous SN 2007if Scalzo et al. (2010) find that SN 2007if qualifies as a SCC SN Ia, i.e. it is over-luminous (M${}_{\emph{V}}$ = $-$20.4), has a slow-rise to peak brightness (trise = 24 days), the early spectra contain signatures of stronger than normal C II, and SN 2007if resides in a low-luminosity host (M${}_{\emph{g}}$ = $-$14.10). Despite having a red _B_ $-$ _V_ color ($+$0.16) at _B_ -band maximum, signs of host reddening via Na D lines appear negligible. Utilizing Keck observations of the young metal-poor host galaxy, Childress et al. (2011) concluded that SN 2007if is likely to have originated from a young, metal-poor progenitor. From the H$\alpha$ line of the host galaxy, Yuan et al. (2010) derived a redshift of 0.0736. Based on the bolometric light curve and the sluggish Si II velocity evolution, Scalzo et al. (2010) conclude that SN 2007if was the death of a super- Chandrasekhar mass progenitor. They estimate the total mass of the system to be 2.4 M⊙, with 1.6 M⊙ of 56Ni, and 0.3 to 0.5 M⊙ in the form of a C$+$O envelope. Given the possibility that other over-luminous events could potentially stem from similar super-Chandrasekhar mass origins, Scalzo et al. (2012) searched the SNFactory sample (based on a criterion of SN 1991T/2007if- like selections) and found four additional super-Chandrasekhar mass candidates. ### A.35 SN 2007on in NGC 1404 SN 2007on was found associated with the elliptical galaxy, NGC 1404 (Pollas & Klotz, 2007). Voss & Nelemans (2008) reported the discovery of the progenitor of SN 2007on based on a detected X-ray source in pre-supernova archival X-ray images, located 0.9” $\pm$ 1.3” (later 1.15” $\pm$ 0.27”; Roelofs et al. 2008) from the position of SN 2007on within its host galaxy. However, Roelofs et al. (2008) later reevaluated the detection of the progenitor of SN 2007on and concluded that given the offset discrepancy between the X-ray source and the SN location, the probability for a connection is of order 1 percent. However, should SN Ia progenitors reveal themselves to be producers of pre-explosive X-ray sources, Voss & Nelemans (2008) suggest this would be consistent with a merger model with an accretion disc, formed from the disrupted companion star rather than an explosion immediately upon or soon after the merger of the two stars. ### A.36 SN 2008J $-$ heavily reddened SN 2002ic-like in MGC-02-07-033 Taddia et al. (2012) studied SN 2008J (Thrasher et al., 2008), which provides additional observational evidence for hydrogen-rich CSM around an otherwise SN 1991T-like SS SN Ia. They obtained a NIR spectrum extending up to 2.2 $\mu$m, and find that SN 2008J is affected by a visual extinction of 1.9 mag. ### A.37 Sub-luminous SN 2008ha in UGC 12682 Foley et al. (2010a) studied the optical spectrum of SN 2008ha near maximum brightness (Puckett et al., 2008; Soderberg, 2009). It is found to be a dim thermonuclear SN Ia with uncommonly slow projected expansion velocities. Carbon features at maximum light indicate that carbon-rich material is present to significant depths in the SN ejecta. Consequently, Foley et al. (2010a) conclude that SN 2008ha was a failed deflagration since late time imaging and spectroscopy also give support to this idea (Kromer et al., 2013a). ### A.38 SN 2009nr in UGC 8255 Khan et al. (2011b) discuss the photometric and spectroscopic observations of the over-luminous (M${}_{\emph{V}}$ = $-$19.6, $\Delta$m15(_B_) = 0.95) SS SN 2009nr (Balanutsa & Lipunov, 2010). Similarly, Tsvetkov et al. (2011) made _UBVRI_ photometric observations of SN 2009nr. They estimate that 0.78 $-$ 1.07 M⊙ of 56Ni was synthesized during the explosion. Khan et al. (2011b) also find SN 2009nr is at a projected distance of 13.0 kpc from the nucleus of its star-forming host galaxy. In turn, this indicates that the progenitor of SN 2009nr was _not_ associated with a young stellar population, i.e. SN 2009nr may not have originated from a “prompt” progenitor channel as is often assumed for SN Ia of its subtype. ### A.39 Peculiar, sub-luminous PTF09dav Sullivan et al. (2011b) studied the peculiar PTF09dav discovered by the Palomar Transient Factory. Sullivan et al. (2011b) find it to be faint (M${}_{\emph{B}}$ = $-$15.5) compared to SN 1991bg, and does not satisfy the faint end of the WLR. Sullivan et al. (2011b) find estimates for both the 56Ni mass (0.019 M⊙) and ejecta mass (0.36 M⊙) significantly low for thermonuclear supernovae. The spectra are also consistent with signatures of Sc II, Mn I, Ti II, Sr II and low velocities of $\sim$6000 km s-1. The host galaxy of PTF09dav is not clear, however it appears this transient is not associated with massive, old stellar populations. Sullivan et al. (2011b) conclude that the observed properties of PTF09dav cannot be explained by the known models of sub-luminous SN Ia. Notably, Kasliwal et al. (2012) recently presented late time spectra of PTF09dav (and other similar low luminosity transients). They confirm that this class of objects look nothing like SN Ia at all on account of little to no late-time iron emission, but instead with prominent emission from calcium in the NIR (Perets et al., 2010), confirming previous suspicions of Sullivan et al. (2011b). ### A.40 PTF10ops, another peculiar cross-type SN Ia Maguire et al. (2011) presented optical photometric and spectroscopic observations of a somewhat peculiar and sub-luminous SN Ia, PTF10ops ($-$17.77 mag). Spectroscopically, this object has been noted as belonging to the CL class of SN Ia on account of the presence of conspicuous Ti II absorption features blue ward of 5000 Å, in addition to a larger than normal $\mathcal{R}$(Si II) ratio (partially indicative of cooler effective temperatures). Photometrically, PTF10ops overlaps “normal” SN Ia properties in $\Delta$m15(_B_) (1.12 $\pm$ 0.06 mag) and its rise-time to maximum light (19.6 days). Maguire et al. (2011) estimate $\sim$0.17 M⊙ of 56Ni was produced during the explosion, which is well below what is expected for LVG$-$CN SN Ia. Maguire et al. (2011) also note that either PTF10ops remains without a visible host galaxy, or it resides within the outskirts of a massive spiral galaxy located at least 148 kpc away, which would be consistent with a possible influence of low metallicities or an old progenitor population. Maguire et al. (2011) suggest the progenitor could have been the merger of two compact objects (Pakmor et al., 2010), however time series spectrum synthesis is needed to confirm. ### A.41 SN 2010jn in NGC 2929 The BL SN 2010jn was discovered by the Palomar Transient Factory (PTF10ygu) 15 days before it reached maximum light. Hachinger et al. (2013) performed spectroscopic analysis of the photospheric phase observations and find that the outer layers of SN 2010jn are rich in iron-group elements. At such high velocities ($>$16,000 km s-1), iron-group elements have been tentatively identified in the spectra of SN Ia before (Hatano et al., 1999a) and may also be a ubiquitous property of SN Ia. However, more early epoch, time series observations are needed in order to test and confirm such claims. For SN 2010jn at least, Hachinger et al. (2013) favor a Chandrasekhar-mass delayed detonation, where the presence of iron-group elements within the outermost layers may be a consequence of outward mixing via hydrodynamical instabilities prior to or during the explosion (see Piro 2011, 2012). ### A.42 SN 2011iv in NGC 1404 Foley et al. (2012b) presented the first maximum-light UV through NIR spectrum of a SN Ia (SN 2011iv; Drescher et al. 2011). Despite having a normal looking spectrum, SN 2011iv declined in brightness fairly quickly ($\Delta$m15(_B_) = 1.69). Since the UV region of a SN Ia spectrum is extremely sensitive to the composition of the outer layers, they offer the potential for strong constraints as soon as observational UV spectroscopic diversity is better understood. ### A.43 SN 2012cg in NGC 4424 Silverman et al. (2012d) presented early epoch observations of the nearby spectroscopically normal SN 2012cg (Kandrashoff et al., 2012; Cenko et al., 2012; Marion et al., 2012), discovered immediately after the event ($\sim$1.5 days after). Compared to the width of other normal SN Ia _B_ -band light curves, Silverman et al. (2012d) find that SN 2012cg’s light curve relatively narrow for its peak absolute brightness, with $t_{rise}$ = 17.3 days (coincident photometry was also presented by Munari et al. 2013). Mean expansion velocities within 2.5 days of the event were found to be more than 14,000 km s-1, while the earliest observations show high-velocity components of both Si II and Ca II. The C II $\lambda\lambda$6580, 7234 absorption features were also detected very early. Johansson et al. (2013) obtained upper limits on dust emission via far infrared _Herschel Space Observatory_ flux measurements in the vicinity of the recent and nearby SN 2011by, 2011fe, and 2012cg. From non-detections during post-maximum epochs at 70 $\mu$m and 160 $\mu$m band-passes and archival image measurements, Johansson et al. (2013) exclude dust masses $\gtrsim$ 7 x 10-3 M⊙ for SN 2011fe, and $\gtrsim$ 10-1 M⊙ for SN 2011by and 2012cg for $\sim$ 500 K dust temperatures, $\sim$ 1017 cm dust shell radii, and peak SN bolometric luminosities of $\sim$ 109 L⊙. ### A.44 SN 2000cx-like, SN 2013bh Silverman et al. (2013c) discussed recent observations of SN 2013bh and found it similar to SN 2000cx on all accounts, with slightly higher mean expansion velocities. Silverman et al. (2013c) note that both of these SN Ia reside on the fringes of their spiral host galaxies. In addition, both SN 2000cx and 2013bh lack narrow Na D lines that would otherwise indicate an environment of CSM. Given the extreme similarities between SN 2000cx and 2013bh, Silverman et al. (2013c) suggest identical explosion scenarios for both events. ## References * Aldering et al. 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arxiv-papers
2014-02-25T21:00:31
2024-09-04T02:49:58.885112
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "J. Parrent, B. Friesen and M. Parthasarathy", "submitter": "Jerod Parrent", "url": "https://arxiv.org/abs/1402.6337" }
1402.6353
# Approximations of Random Dispersal Operators/Equations by Nonlocal Dispersal Operators/Equations ††thanks: Partially supported by NSF grant DMS–0907752 Wenxian Shen Department of Mathematics and Statistics Auburn University Auburn, AL 36849, U.S.A. Xiaoxia Xie Department of Applied Mathematics Illinois Institute of Technology Chicago, IL 60616, U.S.A Abstract. This paper is concerned with the approximations of random dispersal operators/equations by nonlocal dispersal operators/equations. It first proves that the solutions of properly rescaled nonlocal dispersal initial-boundary value problems converge to the solutions of the corresponding random dispersal initial-boundary value problems. Next, it proves that the principal spectrum points of nonlocal dispersal operators with properly rescaled kernels converge to the principal eigenvalues of the corresponding random dispersal operators. Finally, it proves that the unique positive time periodic solutions of nonlocal dispersal KPP equations with properly rescaled kernels converge to the unique positive time periodic solutions of the corresponding random dispersal KPP equations. Key words. Nonlocal dispersal, random dispersal, KPP equation, principal eigenvalue, principal spectrum point, positive time periodic solution. Mathematics subject classification. 35K20, 35K57, 45C05, 45J05, 92D25. ## 1 Introduction Both random dispersal evolution equations (or reaction diffusion equations) and nonlocal dispersal evolution equations (or differential integral equations) are widely used to model diffusive systems in applied sciences. Random dispersal equations of the form $\begin{cases}\partial_{t}u(t,x)=\Delta u(t,x)+F(t,x,u),\quad&x\in D,\cr B_{r,b}u(t,x)=0,&x\in\partial D\,\,(x\in\mathbb{R}^{N}\,\,{\rm if}\,\,D=\mathbb{R}^{N}),\end{cases}$ (1.1) are usually used to model diffusive systems which exhibit local internal interactions (i.e. the movements of organisms in the systems occur randomly between adjacent spatial locations) and have been extensively studied (see [1, 2, 3, 6, 19, 20, 24, 29, 32, 42, 46], etc.). In (1.1), the domain $D$ is either a bounded smooth domain in $\mathbb{R}^{N}$ or $D=\mathbb{R}^{N}$. When $D$ is a bounded domain, either $B_{r,b}u=B_{r,D}u:=u$ (in such case, $B_{r,D}u=0$ on $\partial D$ represents homogeneous Dirichlet boundary condition), or $B_{r,b}u=B_{r,N}u:=\frac{\partial u}{\partial{\bf n}}$ (in such case, $B_{r,N}u=0$ on $\partial D$ represents homogeneous Neumann boundary condition), and when $D=\mathbb{R}^{N}$, it is assumed that $F(t,x,u)$ is periodic in $x_{j}$ with period $p_{j}$ and $B_{r,b}u=B_{r,P}u:=u(t,x+p_{j}{\bf e_{j}})-u(t,x)$ with ${\bf e_{j}}=(\delta_{1j},\delta_{2j},\cdots,\delta_{Nj})$ ($\delta_{ij}=0$ if $i\not=j$ and $\delta_{ij}=1$ if $i=j$) (in such case, $B_{r,P}u=0$ in $\mathbb{R}^{N}$ represents periodic boundary condition). Many applied systems exhibit nonlocal internal interaction (i.e. the movements of organisms in the systems occur between non-adjacent spatial locations). Nonlocal dispersal evolution equations of the form $\begin{cases}\partial_{t}u(t,x)=\nu\int_{D\cup D_{b}}k(y-x)[u(t,y)-u(t,x)]dy+F(t,x,u),\quad&x\in\bar{D},\cr B_{n,b}u(t,x)=0,&x\in D_{b}\,\,{\rm if}\,\,D_{b}\not=\emptyset,\end{cases}$ (1.2) are often used to model diffusive systems which exhibit nonlocal internal interactions and have been recently studied by many people (see [4, 7, 8, 9, 12, 13, 14, 18, 21, 26, 28, 30, 31, 44], etc.). In (1.2), $D$ is either a smooth bounded domain of $\mathbb{R}^{N}$ or $D=\mathbb{R}^{N}$; $\nu$ is the dispersal rate; the kernel function $k(\cdot)$ is a smooth and nonnegative function with compact support (the size of the support reflects the dispersal distance) and $\int_{\mathbb{R}^{N}}k(z)dz=1$. When $D$ is bounded, either $D_{b}=D_{D}:=\mathbb{R}^{N}\backslash{\bar{D}}$ and $B_{n,b}u=B_{n,D}:=u$ (in such case, $u=0$ on $\mathbb{R}^{N}\backslash\bar{D}$ represents homogeneous Dirichlet type boundary condition), or $D_{b}=D_{N}:=\emptyset$ (in such case, nonlocal diffusion takes place only in $\bar{D}$ and hence $D_{N}=\emptyset$ represents homogeneous Neumann type boundary condition); when $D=\mathbb{R}^{N}$, it is assumed that $F(t,x+p_{j}{\bf e_{j}},u)=F(t,x,u)$, $D_{b}=D_{P}:=\mathbb{R}^{N}$, and $B_{n,b}u=B_{n,P}u:=u(t,x+p_{j}{\bf e_{j}})-u(t,x)$ (hence $B_{n,P}u=0$ on $\mathbb{R}^{N}$ represents periodic boundary condition). Observe that (1.2) with $D_{b}=D_{D}$ and $B_{n,b}u=B_{n,D}u$ can be rewritten as $\partial_{t}u(t,x)=\nu\left[\int_{D}k(y-x)u(t,y)dy-u(t,x)\right]+F(t,x,u),\quad x\in\bar{D};$ (1.3) that (1.2) with $D_{b}=D_{N}$ reduces to $\partial_{t}u(t,x)=\nu\int_{D}k(y-x)\left[u(t,y)-u(t,x)\right]dy+F(t,x,u),\quad x\in\bar{D};$ (1.4) and that (1.2) with $D=D_{P}$, $F(t,x,u)$ being periodic in $x_{j}$ with period $p_{j}$, and $B_{n,b}u=B_{n,P}u$ can be written as $\begin{cases}\partial_{t}u(t,x)=\nu\int_{\mathbb{R}^{N}}k(y-x)\left[u(t,y)-u(t,x)\right]dy+F(t,x,u),\quad&x\in\mathbb{R}^{N},\\\ u(t,x)=u(t,x+p_{j}{\bf e_{j}}),\quad&x\in\mathbb{R}^{N}\end{cases}$ (1.5) $(j=1,2,\cdots N)$. A huge amount of research has been carried out toward various dynamical aspects of random dispersal evolution equations of the form (1.1). There are also many research works toward various dynamical aspects of nonlocal dispersal evolution equations of the form (1.2). It has been seen that random dispersal evolution equations with Dirichlet, or Neumann, or period boundary condition and nonlocal dispersal evolution equations with the corresponding boundary condition share many similar properties. For example, a comparison principle holds for both equations. There are also many differences between these two types of dispersal evolution equations. For example, solutions of random dispersal evolution equations have smoothness and certain compactness properties, but solutions of nonlocal dispersal evolution equations do not have such properties. Nevertheless, it is expected that nonlocal dispersal evolution equations with Dirichlet, or Neumann, or periodic boundary condition and small dispersal distance possess similar dynamical behaviors as those of random dispersal evolution equations with the corresponding boundary condition and that certain dynamics of random dispersal evolution equations with Dirichlet, or Neumann, or periodic boundary condition can be approximated by the dynamics of nonlocal dispersal evolution equations with the corresponding boundary condition and properly rescaled kernels. It is of great theoretical and practical importance to investigate whether such naturally expected properties actually hold or not. The objective of the current paper is to investigate how the dynamics of random dispersal operators/equations can be approximated by those of nonlocal dispersal operators/equations from three different perspectives, that is, from initial-boundary value problem point of view, from spectral problem point of view, and from asymptotic behavior point of view. To this end, we assume that $k(\cdot)$ is of the form, $k(z)=k_{\delta}(z):=\frac{1}{\delta^{N}}k_{0}\left(\frac{z}{\delta}\right)$ (1.6) for some $k_{0}(\cdot)$ satisfying that $k_{0}(\cdot)$ is a smooth, nonnegative, and symmetric (in the sense that $k_{0}(z)=k_{0}(z^{\prime})$ whenever $|z|=|z^{\prime}|$) function supported on the unit ball $B(0,1)$ and $\int_{\mathbb{R}^{N}}k_{0}(z)dz=1$, where $\delta(>0)$ is called the dispersal distance. We also assume that $\nu=\nu_{\delta}:=\frac{C}{\delta^{2}},$ (1.7) where $C=\Big{(}\frac{1}{2}\int_{\mathbb{R}^{N}}k_{0}(z)z_{N}^{2}dz\Big{)}^{-1}$. Throughout the rest of this paper, we will distinguish the three boundary conditions by $i=1,2,3$. Let $X_{1}=X_{2}=\\{u(\cdot)\in C(\bar{D},\mathbb{R})\\}$ with $\|u\|_{X_{i}}=\max_{x\in\bar{D}}|u(x)|(i=1,2)$, $X_{3}=\\{u\in C(\mathbb{R}^{N},\mathbb{R})|u(x+p_{j}{\bf e_{j}})=u(x)\\},$ with $\|u\|_{X_{3}}=\max_{x\in\mathbb{R}^{N}}|u(x)|$. Let $X_{i}^{+}=\\{u\in X_{i}\,|\,u(x)\geq 0\\}$ ($i=1,2,3$). For $u^{1}(x),u^{2}(x)\in X_{i}$, we define $u^{1}\leq u^{2}(u^{1}\geq u^{2})\text{ if }u^{2}-u^{1}\in X_{i}^{+}(u^{1}-u^{2}\in X_{i}^{+})$ (i=1, 2, 3). Note that $X_{1}=X_{2}$ and the introduction of $X_{2}$ is for convenience. First, we investigate the approximations of solutions to the initial-boundary value problem associated to (1.1), that is, $\begin{cases}\partial_{t}u(t,x)=\Delta u+F(t,x,u),\quad&x\in D,\cr B_{r,b}(t,x)u=0,\quad&x\in\partial D\quad(x\in\mathbb{R}^{N}\text{ if }D=\mathbb{R}^{N}),\cr u(s,x)=u_{0}(x),\quad&x\in\bar{D}\end{cases}$ (1.8) by solutions to the initial-boundary value problem associated to (1.2) with $k(\cdot)=k_{\delta}(\cdot)$ and $\nu=\nu_{\delta}$, that is, $\begin{cases}\partial_{t}u(t,x)=\nu_{\delta}\int_{D\cup D_{b}}k_{\delta}(y-x)[u(t,y)-u(t,x)]dy+F(t,x,u),\,\ &x\in\bar{D},\cr B_{n,b}u(t,x)=0,\quad&x\in D_{b}\,\,\,{\rm if}\,\,D_{b}\not=\emptyset,\cr u(s,x)=u_{0}(x),\quad&x\in\bar{D},\end{cases}$ (1.9) where $B_{r,b}=B_{r,D}$ (resp. $B_{n,b}=B_{n,D}$ and $D_{b}=D_{D}$), or $B_{r,b}=B_{r,N}$ (resp. $D_{b}=D_{N}(=\emptyset$)), or $B_{r,b}=B_{r,P}$ (resp. $B_{n,b}=B_{n,P}$ and $D_{b}=D_{P}$). In the rest of this paper, we assume (H0) $D\subset\mathbb{R}^{N}$ is either a bounded $C^{2+\alpha}$ domain for some $0<\alpha<1$ or $D=\mathbb{R}^{N}$; $k_{\delta}(\cdot)$ is as in (1.6) and $\nu_{\delta}$ is as in (1.7); $F(t,x,u)$ is $C^{1}$ in $t\in\mathbb{R}$ and $C^{3}$ in $(x,u)\in\mathbb{R}^{N}\times\mathbb{R}$, and when $D=\mathbb{R}^{N}$, $F$ is periodic in $x_{j}$ with period $p_{j}$, that is, $F(t,x+p_{j}{\bf e_{j}},u)=F(t,x,u)$ for $j=1,2,\cdots,N$. Note that, by general semigroup theory (see [22, 35]), for any $s\in\mathbb{R}$ and any $u_{0}\in X_{i}\cap C^{1}(\bar{D})$ with $B_{r,b}u_{0}=0$ on $\partial D$, (1.8) with $b=D$ if $i=1$, $b=N$ if $i=2$, and $b=P$ if $i=3$ has a unique (local) solution, denoted by $u_{i}(t,x;s,u_{0})$. Similarly, for any $s\in\mathbb{R}$ and any $u_{0}\in X_{i}$, (1.9) with $b=D$ if $i=1$, $b=N$ if $i=2$, and $b=P$ if $i=3$ has a unique (local) solution, denoted by $u_{i}^{\delta}(t,x;s,u_{0})$. Among others, we prove Theorem A. Assume that for given $1\leq i\leq 3$, $\delta_{0}>0$, $s\in\mathbb{R}$, $T>0$, and $u_{0}\in X_{i}\cap C^{3}(\bar{D})$ with $B_{r,b}u_{0}=0$ if $D$ is bounded ($b=D$ if $i=1$ and $b=N$ if $i=2$), $u_{i}(t,x;s,u_{0})$ and $u_{i}^{\delta}(t,x;s,u_{0})$ exist on $[s,s+T]$ for all $0<\delta\leq\delta_{0}$. Assume also that $\sup_{s\leq t\leq s+T,x\in\bar{D},0<\delta\leq\delta_{0}}|u_{i}(t,x;s,u_{0})|<\infty$. Then, $\lim_{\delta\to 0}\sup_{t\in[s,s+T]}\|u_{i}^{\delta}(t,\cdot;s,u_{0})-u_{i}(t,\cdot;s,u_{0})\|_{X_{i}}=0.$ It should be pointed out that Theorem A is the basis for the study of approximations of various dynamics of random dispersal evolution equations by those of nonlocal dispersal evolution equations. It should also be pointed out that when $F(t,x,u)\equiv 0$ in (1.8) and (1.9), similar results to Theorem A have been proved in [10] and [11] for the Dirichlet and Neumann boundary condition cases, respectively. Secondly, we investigate the principal eigenvalues of time periodic random dispersal eigenvalue problems of the form $\begin{cases}-\partial_{t}u+\Delta u+a(t,x)u=\lambda u,\quad&x\in D,\cr B_{r,b}u=0,\quad&x\in\partial D\,\ (x\in\mathbb{R}^{N}\text{ if }D=\mathbb{R}^{N}),\cr u(t+T,x)=u(t,x),\quad&x\in D,\end{cases}$ (1.10) and their nonlocal counterparts of the form $\begin{cases}-\partial_{t}u+\nu_{\delta}\int_{D\cup D_{b}}k_{\delta}(y-x)\left[u(t,y)-u(t,x)\right]dy+a(t,x)u=\lambda u,\quad&x\in\bar{D},\cr B_{n,b}u=0,\quad&x\in D_{b}\,\,{\rm if}\,\,D_{b}\not=\emptyset,\cr u(t+T,x)=u(t,x),\quad&x\in\bar{D},\end{cases}$ (1.11) where $a(t+T,x)=a(t,x)$, and when $D=\mathbb{R}^{N}$, $a(t+T,x+p_{j}{\bf e_{j}})=a(t,x)$ for $j=1,2,\cdots,N$, and $B_{r,b}=B_{r,D}$ (resp. $B_{n,b}=B_{n,D}$ and $D_{b}=D_{D}$), or $B_{r,b}=B_{r,N}$ (resp. $D_{b}=D_{N}(=\emptyset)$) or $B_{r,b}=B_{r,P}$ (resp. $B_{n,b}=B_{n,P}$ and $D_{b}=D_{P}$). We assume that $a(t,x)$ is a $C^{1}$ function in $(t,x)\in\mathbb{R}\times\mathbb{R}^{N}$. The eigenvalue problems of (1.10), in particular, their associated principal eigenvalue problems, are extensively studied and quite well understood (see [15, 16, 17, 23, 25, 27, 34, 38], etc.). For example, with any one of the three boundary conditions, it is known that the largest real part, denoted by $\lambda^{r}(a)$, of the spectrum set of (1.10) is an isolated algebraically simple eigenvalue with a positive eigenfunction, and for any other $\lambda$ in the spectrum set of (1.10), $\text{Re}\lambda\leq\lambda^{r}(a)$ ($\lambda^{r}(a)$ is called the principal eigenvalue of $\eqref{main-random- eigenvalue}$ in literature). The eigenvalue problems (1.11) have also been studied recently by many people (see [5, 12, 27, 36, 38, 39, 40, 41], etc.). Let $\lambda^{\delta}(a)$ be the largest real part of the spectrum set of (1.11) with any one of the three boundary conditions. $\lambda^{\delta}(a)$ is called the principal spectrum point of (1.11). $\lambda^{\delta}(a)$ is also called the principal eigenvalue of (1.11), if it is an isolated algebraically simple eigenvalue with a positive eigenfunction (see Definition 3.1 for detail). Note that $\lambda^{\delta}(a)$ may not be an eigenvalue of (1.11) (see [12], [39] for examples). Hence the principal eigenvalue of (1.11) may not exist. In [41], the authors of the current paper studied the dependence of principal spectrum points or principal eigenvalues (if exist) of nonlocal dispersal operators on underlying parameters ($\delta,a(\cdot)$, and $\nu$) in a spatially heterogeneous but temporally homogeneous case. However, the understanding is still little to many interesting questions regarding the principal spectrum points or principal eigenvalues (if exist) of (1.11). In this paper, we show that the principal eigenvalue of (1.10) can be approximated by the principal spectrum point of (1.11). In fact, we show Theorem B. $\lim_{\delta\to 0}\lambda^{\delta}(a)=\lambda^{r}(a)$. We remark that Theorem B is another basis for the study of approximations of various dynamics of random dispersal evolution equations by those of nonlocal dispersal evolution equations. We also remark that some necessary and sufficient conditions are provided in [36] and [37] for $\lambda_{\delta}(a)$ to be the principal eigenvalue of (1.11). Among other, it is proved in [36, Theorem A] and [37, Theorem 3.1] that $\lambda^{\delta}(a)$ is the principal eigenvalue of (1.11) if and only if $\lambda^{\delta}(a)>\max_{x\in\bar{D}}\left\\{-\frac{C}{\delta^{2}}+\frac{1}{T}\int_{0}^{T}a(t,x)dt\right\\}.$ This together with Theorem B implies the following remark. ###### Remark 1.1. $\lambda^{\delta}(a)$ is the principal eigenvalue of (1.11), provided $\delta\ll 1$. Thirdly, we explore the asymptotic dynamics of the following time periodic dispersal evolution equations, $\begin{cases}\partial_{t}u=\Delta u+uf(t,x,u),\quad&x\in D,\cr B_{r,b}u=0,\quad&x\in\partial D\,\ (x\in\mathbb{R}^{N}\text{ if }D=\mathbb{R}^{N}),\end{cases}$ (1.12) and $\begin{cases}\partial_{t}u=\nu_{\delta}\int_{D\cup D_{b}}k_{\delta}(y-x)[u(t,y)-u(t,x)]dy+uf(t,x,u),\quad&x\in\bar{D},\cr B_{n,b}u=0,&x\in D_{b}\,\,\,{\rm if}\,\,D_{b}\not=\emptyset,\end{cases}$ (1.13) where $D$ is as in (H0). In the rest of this paper, we assume that (H1) $f$ is $C^{1}$ in $t\in\mathbb{R}$ and $C^{3}$ in $(x,u)\in\mathbb{R}^{N}\times\mathbb{R}$; $f(t,x,u)<0$ for $u\gg 1$ and $\partial_{u}f(t,x,u)<0$ for $u\geq 0$; $f(t+T,x,u)=f(t,x,u)$; and when $D=\mathbb{R}^{N}$, $f(t+T,x,u)=f(t,x+p_{j}{\bf e_{j}},u)=f(t,x,u)$ for $j=1,2,\cdots,N$. (H2) For (1.12), $\lambda^{r}(f(\cdot,\cdot,0))>0$, where $\lambda^{r}(f(\cdot,\cdot,0))$ is the principle eigenvalue of (1.10) with $a(t,x)=f(t,x,0)$. (H2)δ For (1.13), $\lambda^{\delta}(f(\cdot,\cdot,0))>0$, where $\lambda^{\delta}(f(\cdot,\cdot,0))$ is the principle spectrum point of (1.11) with $a(t,x)=f(t,x,0)$. Equations (1.12) and (1.13) are widely used to model population dynamics of species exhibiting random interactions and nonlocal interactions, respectively (see [4, 14, 33], etc. for (1.12) and [36] for (1.13)). Thanks to the pioneering works of Fisher [20] and Kolmogorov et al. [29] on the following special case of (1.12), $\partial_{t}u=u_{xx}+u(1-u),\quad x\in\mathbb{R},$ (1.12) and (1.13) are referred to as Fisher type or KPP type equations. The dynamics of (1.12) and (1.13) have been studied in many papers (see [24, 33, 45] and references therein for (1.12), and [36] and references therein for (1.13)). With conditions (H1) and (H2), it is proved that (1.12) has exactly two nonnegative time periodic solutions, one is $u\equiv 0$ which is unstable and the other one, denoted by $u^{*}(t,x)$, is asymptotically stable and strictly positive (see [45, Theorem 3.1], see also [33, Theorems 1.1, 1.3]). Similar results for (1.13) under the assumptions (H1) and (H2)δ are proved in [36, Theorem E]. We denote the strictly positive time periodic solution of (1.13) by $u_{\delta}^{*}(t,x)$. Note that, by Theorem B and Remark 1.1, (H2) implies (H2)δ when $0<\delta\ll 1$. Hence, we only assume (H2) in the following theorem. In this paper, we show that Theorem C. If (H1) and (H2) hold, then for any $\epsilon>0$, there exists $\delta_{0}>0$, such that for all $0<\delta<\delta_{0}$, we have $\sup_{t\in[0,T]}\|u_{\delta}^{*}(t,\cdot)-u^{*}(t,\cdot)\|_{C(\bar{D},\mathbb{R})}\leq\epsilon.$ Theorems A-C in the above show that many important dynamics of random dispersal equations can be approximated by the corresponding dynamics of nonlocal dispersal equations, which is of both great theoretical and practical importance. The rest of the paper is organized as follows. In section 2, we explore the approximation of solutions of random dispersal evolution equations by the solutions of nonlocal dispersal evolution equations and prove Theorem A. In section 3, we investigate the approximation of principal eigenvalues of time periodic random dispersal operators by the principal spectrum points of time periodic nonlocal dispersal operators and prove Theorem B. We study in section 4 the approximation of the asymptotic dynamics of time periodic KPP equations with random dispersal by the asymptotic dynamics of time periodic KPP equations with nonlocal dispersal and prove Theorem C. ## 2 Approximation of Initial-boundary Value Problems of Random Dispersal Equations by Nonlocal Dispersal Equations In this section, we explore the approximation of solutions to (1.8) by the solutions to (1.9). We first present some comparison principle for (1.8) and (1.9). Then we prove Theorem A. Though the ideas of the proofs of Theorem A for different types of boundary conditions are the same, different techniques are needed for different boundary conditions. We hence give proofs of Theorem A for different boundary conditions in different subsections. ### 2.1 Comparison principle for random and nonlocal dispersal evolution equations In this subsection, we present a comparison principle for random and nonlocal evolution equations, which will be applied in the proof of Theorem A in this section as well as in the proofs of Theorem B and C in sections 3 and 4. ###### Definition 2.1 (Super- and sub- solutions). A continuous function $u(t,x)$ on $[s,s+T)\times\mathbb{R}^{N}$ is called a super-solution (sub-solution) of (1.9) on $(s,s+T)$ if for any $x\in\bar{D}$, $u(t,x)$ is differentiable on $(s,s+T)$ and satisfies that $\begin{cases}\partial_{t}u(t,x)\geq(\leq)\nu_{\delta}\int_{D\cup D_{b}}k_{\delta}(y-x)[u(t,y)-u(t,x)]dy+F(t,x,u),\quad&x\in\bar{D},\\\ B_{n,b}u(t,x)\geq(\leq)0,&x\in D_{b}\,\,{\rm if}\,\,D_{b}\not=\emptyset,\\\ u(s,x)\geq(\leq)u_{0}(x),&x\in\bar{D},\end{cases}$ when $b=D$ or $N$, or that $\begin{cases}\partial_{t}u(t,x)\geq(\leq)\nu_{\delta}\int_{\mathbb{R}^{N}}k_{\delta}(y-x)[u(t,y)-u(t,x)]dy+F(t,x,u),\quad&x\in\mathbb{R}^{N},\\\ B_{n,b}u(t,x)=0,&x\in\mathbb{R}^{N},\\\ u(s,x)\geq(\leq)u_{0}(x),&x\in\mathbb{R}^{N},\end{cases}$ when $b=P$. Super-solutions and sub-solutions of (1.8) on $(s,s+T)$ are defined in an analogous way. ###### Proposition 2.1 (Comparison principle). * (1) Suppose that $u^{-}(t,x)$ and $u^{+}(t,x)$ are sub-solution and super-solution of (1.8) on $(s,s+T)$, respectively, then $u^{-}(t,x)\leq u^{+}(t,x)\quad\forall\,\,t\in[s,s+T),\,\,x\in\bar{D}.$ * (2) Suppose that $u^{-}(t,x)$ and $u^{+}(t,x)$ are sub-solution and super-solution of (1.9) on $(s,s+T)$, respectively, then $u^{-}(t,x)\leq u^{+}(t,x)\quad\forall\,\,t\in[s,s+T),\,\,x\in\bar{D}.$ ###### Proof. (1) It follows from comparison principle for parabolic equations. (2) It follows from [36, Proposition 3.1]. ∎ ### 2.2 Proof of Theorem A in the Dirichlet boundary condition case In this subsection, we prove Theorem A in the Dirichlet boundary case. Throughout this subsection, we assume (H0), and $B_{r,b}u=B_{r,D}u$ in (1.8), and $D_{b}=D_{D}(=\mathbb{R}^{N}\backslash\bar{D})$ and $B_{n,b}u=B_{n,D}u$ in (1.9). Note that $D\cup D_{b}=\mathbb{R}^{N}$ in this case. Without loss of generality, we assume $s=0$. ###### Proof of Theorem A in the Dirichlet boundary condition case. Let $u_{0}\in C^{3}(\bar{D})$ with $u_{0}(x)=0$ for $x\in\partial D$. Let $u_{1}^{\delta}(t,x)$ be the solution of (1.9) with $s=0$ and $u_{1}(t,x)$ be the solution of (1.8) with $s=0$. Suppose that $u_{1}(t,x)$ and $u_{1}^{\delta}(t,x)$ exist on $[0,T]$. By regularity of solutions for parabolic equations, $u_{1}\in C^{1+\frac{\alpha}{2},2+\alpha}((0,T]\times\bar{D})\cap C^{0,2+\alpha}([0,T]\times\bar{D})$. Let $\tilde{u}_{1}$ be an extension of $u_{1}$ to $[0,T]\times\mathbb{R}^{N}$ satisfying that $\tilde{u}_{1}\in C^{0,2+\alpha}([0,T]\times\mathbb{R}^{N})$. Define $L_{\delta}(z)(t,x)=\nu_{\delta}\int_{\mathbb{R}^{N}}k_{\delta}(y-x)[z(t,y)-z(t,x)]dy.$ Let $G(t,x)=\tilde{u}_{1}(t,x)$ for $(t,x)\in[0,T]\times\mathbb{R}^{N}\backslash\bar{D}$. Then $\tilde{u}_{1}$ verifies $\begin{cases}\partial_{t}\tilde{u}_{1}(t,x)=L_{\delta}(\tilde{u}_{1})(t,x)+F_{\delta}(t,x)+F(t,x,\tilde{u}_{1}(t,x)),\quad&x\in\bar{D},\,\,\,\ \quad\,t\in(0,T],\\\ \tilde{u}_{1}(t,x)=G(t,x),\quad\,\ &x\in\mathbb{R}^{N}\backslash\bar{D},t\in[0,T],\\\ \tilde{u}_{1}(0,x)=u_{0}(x),\quad&x\in\bar{D},\end{cases}$ where $\displaystyle F_{\delta}(t,x)$ $\displaystyle=\Delta\tilde{u}_{1}(t,x)-{L}_{\delta}(\tilde{u}_{1})(t,x)$ $\displaystyle=\Delta\tilde{u}_{1}(t,x)-\nu_{\delta}\int_{\mathbb{R}^{N}}k_{\delta}(y-x)(\tilde{u}_{1}(t,y)-\tilde{u}_{1}(t,x))dy.$ Let $w_{1}^{\delta}=\tilde{u}_{1}-u_{1}^{\delta}$. We then have $\begin{cases}\partial_{t}w_{1}^{\delta}(t,x)=L_{\delta}(w_{1}^{\delta})(t,x)+F_{\delta}(t,x)+a_{1}^{\delta}(t,x)w_{1}^{\delta}(t,x),\quad&x\in\bar{D},\,\,\,\quad\,\ t\in(0,T],\\\ w_{1}^{\delta}(t,x)=G(t,x),\quad&x\in\mathbb{R}^{N}\backslash\bar{D},\,t\in[0,T],\\\ w_{1}^{\delta}(0,x)=0,\quad&x\in\bar{D},\end{cases}$ (2.1) where $a_{1}^{\delta}(t,x)=\int_{0}^{1}F_{u}[t,x,u_{1}^{\delta}(t,x)+\theta(\tilde{u}_{1}(t,x)-u_{1}^{\delta}(t,x))]d{\theta}$. We claim that $\begin{cases}\sup_{t\in[0,T]}\|F_{\delta}(t,\cdot)\|_{X_{1}}=O({\delta}^{\alpha}),\cr\sup_{t\in[0,T],x\in\mathbb{R}^{N}\setminus\bar{D},{\rm dist}(x,\partial D)\leq\delta}|G(t,x)|=O(\delta).\end{cases}$ (2.2) In fact, $\displaystyle\Delta\tilde{u}_{1}(t,x)-\nu_{\delta}\int_{\mathbb{R}^{N}}k_{\delta}(y-x)(\tilde{u}_{1}(t,y)-\tilde{u}_{1}(t,x))dy$ $\displaystyle=\Delta\tilde{u}_{1}(t,x)-\nu_{\delta}\int_{\mathbb{R}^{N}}\frac{1}{\delta^{N}}k_{0}\left(\frac{y-x}{\delta}\right)(\tilde{u}_{1}(t,y)-\tilde{u}_{1}(t,x))dy$ $\displaystyle=\Delta\tilde{u}_{1}(t,x)-\nu_{\delta}\int_{\mathbb{R}^{N}}k_{0}(z)(\tilde{u}_{1}(t,x+\delta z)-\tilde{u}_{1}(t,x))dz$ $\displaystyle=\Delta\tilde{u}_{1}(t,x)-\nu_{\delta}\int_{\mathbb{R}^{N}}k_{0}(z)\left[\frac{\delta^{2}z_{N}^{2}}{2!}\Delta\tilde{u}_{1}(t,x)+O(\delta^{2+\alpha})\right]dz$ $\displaystyle=\Delta\tilde{u}_{1}(t,x)-\left[\nu_{\delta}\delta^{2}\int_{\mathbb{R}^{N}}k_{0}(z)\frac{z_{N}^{2}}{2}dz\right]\Delta\tilde{u}_{1}(t,x)+O(\delta^{\alpha})$ $\displaystyle=\Delta\tilde{u}_{1}(t,x)-\Delta\tilde{u}_{1}(t,x)+O(\delta^{\alpha})$ $\displaystyle=O(\delta^{\alpha})\quad\forall\,\,x\in\bar{D},$ and $\displaystyle|G(t,x)|$ $\displaystyle=|\tilde{u}_{1}(t,x)|$ $\displaystyle\leq\sup_{t\in[0,T],x\in\mathbb{R}^{N}\setminus D,z\in\partial D,\text{dist}(x,z)\leq\delta}|\tilde{u}_{1}(t,x)-u_{1}(t,z)|$ $\displaystyle=O(\delta)\quad\forall\,\,x\in\mathbb{R}^{N}\backslash\bar{D},\,\,{\rm dist}(x,\partial D)\leq\delta.$ Therefore, (2.2) holds. Next, let $\bar{w}$ be given by $\bar{w}(t,x)=e^{At}(K_{1}{\delta}^{\alpha}t)+K_{2}\delta,$ where $A=\underset{t\in[0,T],x\in\bar{D},0<\delta\leq\delta_{0}}{\max}a_{1}^{\delta}(t,x)$. By direct calculation, we have $\begin{cases}\partial_{t}\bar{w}(t,x)=L_{\delta}(\bar{w})+a_{1}^{\delta}(t,x)\bar{w}+\bar{F}_{\delta}(t,x)\quad&x\in\bar{D},\quad\quad\,\,\ \,\,t\in(0,T],\\\ \bar{w}(t,x)=e^{At}(K_{1}{\delta}^{\alpha}t)+K_{2}\delta,\quad&x\in\mathbb{R}^{N}\backslash\bar{D},\quad t\in[0,T],\\\ \bar{w}(0,x)=K_{2}\delta,\quad&x\in\bar{D},\end{cases}$ (2.3) where $\bar{F}_{\delta}(t,x)=e^{At}K_{1}{\delta}^{\alpha}+[A-a_{1}^{\delta}(t,x)]e^{At}K_{1}{\delta}^{\alpha}t-a_{1}^{\delta}(t,x)K_{2}\delta.$ By (2.2), there are $0<\tilde{\delta}_{0}\leq\delta_{0}$ and $K_{1},K_{2}>0$ such that $\begin{cases}F_{\delta}(t,x)\leq\bar{F}_{\delta}(t,x),\quad&x\in\bar{D},\,\,\,\,t\in[0,T],\cr G(t,x)\leq e^{At}(K_{1}{\delta}^{\alpha}t)+K_{2}\delta,\quad&x\in\mathbb{R}^{N}\backslash\bar{D},\,\,{\rm dist}(x,\partial D)\leq\delta,\,t\in[0,T],\end{cases}$ (2.4) when $0<\delta<\tilde{\delta}_{0}$. By (2.1), (2.3), (2.4), and Proposition 2.1, we obtain $w^{\delta}(t,x)\leq\bar{w}(t,x)=e^{At}(K_{1}{\delta}^{\alpha}t)+K_{2}\delta\quad\forall\,x\in\bar{D},\,\,t\in[0,T]$ (2.5) for $0<\delta<\tilde{\delta}_{0}$. Similarly, let $\underline{w}(t,x)=e^{At}(-K_{1}{\delta}^{\alpha}t)-K_{2}\delta$. We can prove that for $0<\delta<\tilde{\delta}_{0}$ (by reducing $\tilde{\delta}_{0}$ if necessary), $w^{\delta}(t,x)\geq\underline{w}(t,x)=-e^{At}(K_{1}{\delta}^{\alpha}t)-K_{2}\delta\quad\forall\,\,x\in\bar{D},\,\,t\in[0,T].$ (2.6) By (2.5) and (2.6) we have $|w^{\delta}(t,x)|\leq e^{At}K_{1}{\delta}^{\alpha}t+K_{2}\delta\quad\forall\,\,x\in\bar{D},\,\,t\in[0,T],$ which implies that there is $C(T)>0$ such that for any $0<\delta<\tilde{\delta}_{0}$, $\sup_{t\in[0,T]}\|u_{1}(\cdot,t)-u_{1}^{\delta}(\cdot,t)\|_{X_{1}}\leq C(T){\delta}^{\alpha}.$ Theorem A in the Dirichlet boundary condition case then follows. ∎ ###### Remark 2.1. If the homogeneous Dirichlet boundary conditions $B_{r,D}u=u=0$ on $\partial D$ and $B_{n,D}u=u=0$ on $\mathbb{R}^{N}\backslash\bar{D}$ are changed to nonhomogeneous Dirichlet boundary conditions $B_{r,D}u=u=g(t,x)$ on $\partial D$ and $B_{n,D}u=u=g(t,x)$ on $\mathbb{R}^{N}\backslash\bar{D}$, Theorem A also holds, which can be proved by the similar arguments as above. ### 2.3 Proof of Theorem A in the Neumann boundary condition case In this subsection, we prove Theorem A in the Neumann boundary condition case. Throughout this subsection, we assume (H0), and $B_{r,b}u=B_{r,N}u$ in (1.8), and $D_{b}=D_{N}=\emptyset$ in (1.9). Without loss of generality, we assume $s=0$. We first introduce two lemmas. To this end, for given $\delta>0$ and $d_{0}>0$, let $D_{\delta}=\\{z\in D|\mathrm{dist}(z,\partial D)<d_{0}\delta\\}$. ###### Lemma 2.1. Let $\theta\in C^{1+\frac{\alpha}{2},2+\alpha}((0,T]\times\times\mathbb{R}^{N})\cap C^{0,2+\alpha}([0,T]\times\mathbb{R}^{N})$ and $\frac{\partial\theta}{\partial{\bf n}}=h$ on $\partial D$, then for $x\in D_{\delta}$ and $\delta$ small, $\displaystyle\frac{1}{\delta^{2}}{\int}_{\mathbb{R}^{N}\backslash D}k_{\delta}(y-x)(\theta(t,y)-\theta(t,x))dy$ $\displaystyle=\frac{1}{\delta}{\int}_{\mathbb{R}^{N}\backslash D}k_{\delta}(y-x){\bf n}(\bar{x})\cdot\frac{y-x}{\delta}h(\bar{x},t)dy$ $\displaystyle+{\int}_{\mathbb{R}^{N}\backslash D}k_{\delta}(y-x)\sum_{|\beta|=2}\frac{D^{\beta}\theta}{2}(\bar{x},t)\left[\left(\frac{y-\bar{x}}{\delta}\right)^{\beta}-\left(\frac{x-\bar{x}}{\delta}\right)^{\beta}\right]dy+O(\delta^{\alpha}),$ where $\bar{x}$ is the orthogonal projection of $x$ on the boundary of $D$ so that $\|\bar{x}-y\|\leq 2d_{0}\delta$ and ${\bf n}(\bar{x})$ is the exterior unit normal vector of $\partial D$ at $\bar{x}$. ###### Proof. See [10, Lemma 3]. ∎ ###### Lemma 2.2. There exist $K>0$ and $\bar{\delta}>0$ such that for $\delta<\bar{\delta}$, $\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x){\bf n}(\bar{x})\frac{y-x}{\delta}dy\geq K\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x)dy.$ ###### Proof. See [10, Lemma 4]. ∎ ###### Proof of Theorem A in the Neumann boundary condition case. Suppose that $u_{0}\in C^{3}(\bar{D})$. Let $u_{2}^{\delta}(t,x)$ be the solution to (1.9) with $s=0$ and $u_{2}(t,x)$ be the solution to (1.8) with $s=0$. Assume that $u_{2}(t,x)$ and $u_{2}^{\delta}(t,x)$ exist on $[0,T]$. Then $u_{2}\in C^{1+\frac{\alpha}{2},2+\alpha}((0,T]\times\bar{D})$. Let $\tilde{u}_{2}$ be an extension of $u_{2}$ to $[0,T]\times\mathbb{R}^{N}$ satisfying that $\tilde{u}_{2}\in C^{1+\frac{\alpha}{2},2+\alpha}((0,T]\times\mathbb{R}^{N})\cap C^{0,2+\alpha}([0,T]\times\mathbb{R}^{N})$. Define $L_{\delta}(z)(t,x)=\nu_{\delta}\int_{D}k_{\delta}(y-x)(z(t,y)-z(t,x))dy,$ and $\tilde{L}_{\delta}(z)(t,x)=\nu_{\delta}\int_{\mathbb{R}^{N}}k_{\delta}(y-x)(z(t,y)-z(t,x))dy.$ Set $w_{2}^{\delta}=u_{2}^{\delta}-\tilde{u}_{2}$. Then $\displaystyle\partial_{t}w_{2}^{\delta}(t,x)$ $\displaystyle=\partial_{t}u_{2}^{\delta}(t,x)-\partial_{t}\tilde{u}_{2}(t,x)$ $\displaystyle=[L_{\delta}(u_{2}^{\delta})(t,x)+F(t,x,u_{2}^{\delta})]-[\Delta\tilde{u}_{2}(t,x)+F(t,x,\tilde{u}_{2})]$ $\displaystyle=L_{\delta}(w_{2}^{\delta})(t,x)+a_{2}^{\delta}(t,x)w_{2}^{\delta}(t,x)+F_{\delta}(t,x),$ where $a_{2}^{\delta}(t,x)=\int_{0}^{1}F_{u}(t,x,\tilde{u}_{2}(t,x)+\theta(u^{\delta}_{2}(t,x)-\tilde{u}_{2}(t,x)))d\theta$ and $F_{\delta}(t,x)=\tilde{L}_{\delta}(\tilde{u}_{2})(t,x)-\Delta\tilde{u}_{2}(t,x)-\nu_{\delta}\int_{\mathbb{R}^{N}\backslash D}k_{\delta}(y-x)(\tilde{u}_{2}(t,y)-\tilde{u}_{2}(t,x))dy.$ Hence $w_{2}^{\delta}$ verifies $\begin{cases}\partial_{t}w_{2}^{\delta}(t,x)=L_{\delta}(w_{2}^{\delta})(t,x)+a_{2}^{\delta}(t,x)w_{2}^{\delta}(t,x)+F_{\delta}(t,x),&\quad x\in\bar{D},\\\ w_{2}^{\delta}(0,x)=0,&\quad x\in\bar{D}.\end{cases}$ (2.7) To prove the theorem, let us pick an auxiliary function $v$ as a solution to $\begin{cases}\partial_{t}v(t,x)=\Delta v(t,x)+a_{2}^{\delta}(t,x)v(t,x)+h(t,x),\quad&x\in D,\,\,\,\,t\in(0,T],\\\ \frac{\partial v}{\partial{\bf n}}(t,x)=g(t,x),\quad&x\in\partial D,\,t\in[0,T],\\\ v(0,x)=v_{0}(x),\quad&x\in D\end{cases}$ for some smooth functions $h(t,x)\geq 1$, $g(t,x)\geq 1$ and $v_{0}(x)\geq 0$ such that $v(t,x)$ has an extension $\tilde{v}(t,x)\in C^{1+\frac{\alpha}{2},2+\alpha}((0,T]\times\mathbb{R}^{N})\cap C^{0,2+\alpha}([0,T]\times\mathbb{R}^{N})$. Then $v$ is a solution to $\begin{cases}\partial_{t}v(t,x)=L_{\delta}(v)(t,x)+a_{2}^{\delta}(t,x)v(t,x)+H(t,x,\delta),\quad&x\in\bar{D},t\in(0,T],\\\ v(0,x)=v_{0}(x),\quad&x\in\bar{D},t\in[0,T],\end{cases}$ (2.8) where $H(t,x,\delta)=\Delta\tilde{v}(t,x)-\tilde{L}_{\delta}(v)(t,x)+\nu_{\delta}\int_{\mathbb{R}^{N}\backslash D}k_{\delta}(y-x)(\tilde{v}(t,y)-\tilde{v}(t,x))dy+h(t,x).$ By Lemma 2.1 and the first estimate in (2.2), we have the following estimate for $H(x,t,\delta)$: $\displaystyle H(t,x,\delta)$ $\displaystyle=\Delta\tilde{v}(t,x)-\tilde{L}_{\delta}(v)(t,x)+\frac{C}{\delta^{2}}\int_{\mathbb{R}^{N}\backslash D}k_{\delta}(y-x)(\tilde{v}(t,y)-\tilde{v}(t,x))dy+h(t,x)$ $\displaystyle\geq\frac{C}{\delta}\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x){\bf n}(\bar{x})\frac{y-x}{\delta}g(\bar{x},t)dy$ $\displaystyle\qquad+C\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x)\sum_{|\beta|=2}\frac{D^{\beta}\tilde{v}}{2}(\bar{x},t)\left[\left(\frac{y-\bar{x}}{\delta}\right)^{\beta}-\left(\frac{x-\bar{x}}{\delta}\right)^{\beta}\right]dy+1-C_{1}\delta^{\alpha}$ $\displaystyle\geq\frac{C}{\delta}g(\bar{x},t)\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x){\bf n}(\bar{x})\frac{y-x}{\delta}dy- D_{1}C\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x)dy+\frac{1}{2}$ (2.9) for some constants $D_{1}$ and $C_{1}$ and $\delta$ sufficiently small such that $C_{1}\delta^{\alpha}\leq\frac{1}{2}$. Then Lemma 2.2 implies that there exist $C^{\prime}>0$ and $\delta^{\prime}$ such that $\frac{1}{\delta}\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x){\bf n}(\bar{x})\frac{y-x}{\delta}dy\geq\frac{C^{\prime}}{\delta}\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x)dy,$ if $\delta<\delta^{\prime}$. This implies that $\displaystyle H(x,t,\delta)\geq\left[\frac{CC^{\prime}g(\bar{x},t)}{\delta}-D_{1}\right]\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x)dy+\frac{1}{2},$ (2.10) if $\delta<\delta^{\prime}$. We now estimate $F_{\delta}(t,x)$. By Lemmas 2.1, 2.2, the first estimate in (2.2), and the fact that $\frac{\partial\tilde{u}_{2}}{\partial{\bf n}}=0$ on $\partial D$, we have $\displaystyle F_{\delta}(t,x)$ $\displaystyle=O(\delta^{\alpha})+\nu_{\delta}\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x)(\tilde{u}_{2}(t,y)-\tilde{u}_{2}(t,x))dy$ $\displaystyle=O(\delta^{\alpha})+C\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x)\sum_{|\beta|=2}\frac{D^{\beta}\theta}{2}(\bar{x},t)\left[\left(\frac{y-\bar{x}}{\delta}\right)^{\beta}-\left(\frac{x-\bar{x}}{\delta}\right)^{\beta}\right]dy$ $\displaystyle\leq C_{2}\delta^{\alpha}+D_{1}C\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x)dy$ $\displaystyle=C_{2}\delta^{\alpha}+D_{2}\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x)dy$ (2.11) for some $C_{2}>0$ and $D_{2}>0$. Given $\epsilon>0$, let $v_{\epsilon}=\epsilon v$. By (2.8), $v_{\epsilon}$ satisfies $\begin{cases}\partial_{t}v_{\epsilon}(t,x)-L_{\delta}(v_{\epsilon})(t,x)-a_{2}^{\delta}(t,x)v_{\epsilon}(t,x)=\epsilon H(t,x,\delta),&\quad x\in\bar{D},\\\ v_{\epsilon}(0,x)=\epsilon v_{0}(x),&\quad x\in\bar{D}.\end{cases}$ (2.12) By (2.10) and (2.3), there exist $C_{3}>0$ and $0<\tilde{\delta}_{0}<\delta_{0}$ such that for $0<\delta\leq\tilde{\delta}_{0}$, $\displaystyle F_{\delta}(t,x)\leq C\delta^{\alpha}+D_{2}\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x)dy\leq\frac{\epsilon}{2}+\frac{C_{3}\epsilon}{\delta}\underset{\mathbb{R}^{N}\backslash D}{\int}k_{\delta}(y-x)dy=\epsilon H(x,t,\delta)\quad\forall\,x\in\bar{D},\,\,t\in[0,T].$ (2.13) Then by (2.7), (2.12), (2.13), and Proposition 2.1, we have $-M\epsilon\leq-v_{\epsilon}\leq w_{2}^{\delta}\leq v_{\epsilon}\leq M\epsilon\quad\forall\,\,\delta\leq\tilde{\delta}_{0},$ where $\displaystyle M=\max_{t\in[0,T],x\in\bar{D}}v(t,x)$. This implies $\sup_{t\in[0,T]}\|u_{2}^{\delta}(t,\cdot)-u_{2}(t,\cdot)\|_{X_{2}}\rightarrow 0,\quad\mathrm{as}\,\ \delta\rightarrow 0.$ Theorem A in the Neumann boundary condition is thus proved. ∎ ### 2.4 Proof of Theorem A in the periodic boundary condition case In this subsection, we prove Theorem A in the periodic boundary condition case. Throughout this subsection, we assume (H0), $B_{r,b}u=B_{r,P}u$ in (1.8), and $B_{n,b}u=B_{n,P}u$ in (1.9). Without loss of generality again, we assume $s=0$. ###### Proof of Theorem A in the periodic boundary case. Suppose that $u_{0}\in X_{3}\cap C^{3}(\mathbb{R}^{N})$. Let $u_{3}^{\delta}(t,x)$ be the solution to (1.9) with $s=0$ and $u_{3}(t,x)$ be the solution to (1.8) with $s=0$. Suppose that $u_{3}(t,x)$ and $u_{3}^{\delta}(t,x)$ exist on $[0,T]$. Set $w_{3}^{\delta}=u_{3}^{\delta}-u_{3}$. Then $w_{3}^{\delta}$ satisfies $\begin{cases}\partial_{t}w_{3}^{\delta}(t,x)=\nu_{\delta}\int_{\mathbb{R}^{N}}k_{\delta}(y-x)(w_{3}^{\delta}(t,y)-w_{3}^{\delta}(t,x))dy+a_{3}^{\delta}(t,x)w_{3}^{\delta}(t,x)+F_{\delta}(t,x),&x\in\mathbb{R}^{N},\,t\in(0,T],\\\ w_{3}^{\delta}(t,x)=w_{3}^{\delta}(t,x+p_{j}\mathbb{e}_{j}),&x\in\mathbb{R}^{N},\,t\in[0,T],\\\ w_{3}^{\delta}(0,x)=0,&x\in\mathbb{R}^{N},\end{cases}$ (2.14) where $a_{3}^{\delta}(t,x)=\int_{0}^{1}F_{u}(t,x,u_{3}(t,x)+\theta(u^{\delta}_{3}(t,x)-u_{3}(t,x)))d\theta$ and $F_{\delta}(t,x)=\nu_{\delta}\int_{\mathbb{R}^{N}}k_{\delta}(y-x)[u_{3}(t,y)-u_{3}(t,x)]dy-\Delta u_{3}$. Let $\bar{w}(t,x)=e^{At}(K_{1}{\delta}^{\alpha}t)+K_{2}\delta,$ where $\displaystyle A=\max_{t\in[0,T],x\in\mathbb{R}^{N},0<\delta\leq\delta_{0}}a_{3}^{\delta}(t,x)$. Applying the similar approach as in the Dirichlet boundary condition case, we can show that there are $K_{1}>0$, $K_{2}>0$, and $\delta_{0}>0$ such that for $0<\delta<\delta_{0}$, $-\bar{w}(t,x)\leq w_{3}^{\delta}(t,x)\leq\bar{w}(t,x)\quad\forall\,\,x\in\mathbb{R}^{N},\,\,t\in[0,T].$ Theorem A in the periodic boundary condition case then follows. ∎ ## 3 Approximation of Principal Eigenvalues of Time Periodic Random Dispersal Operators by Nonlocal Dispersal Operators In this section, we investigate the approximation of principal eigenvalues of time periodic random dispersal operators by the principal spectrum points of time periodic nonlocal dispersal operators. We first recall some basic properties of principal eigenvalues of time periodic random dispersal or parabolic operators, and basic properties of principal spectrum points of time periodic nonlocal dispersal operators. We then prove Theorem B. ### 3.1 Basic properties In this subsection, we present basic properties of principal eigenvalues of time periodic parabolic operators and basic properties of principal spectrum points of time periodic nonlocal dispersal operators. Let $\mathcal{X}_{1}=\mathcal{X}_{2}=\\{u\in C(\mathbb{R}\times\bar{D},\mathbb{R})|u(t+T,x)=u(t,x)\\}$ with norm $\|u\|_{\mathcal{X}_{i}}=\sup_{t\in[0,T]}\|u(t,\cdot)\|_{X_{i}}(i=1,2)$, $\mathcal{X}_{3}=\\{u\in C(\mathbb{R}\times\mathbb{R}^{N},\mathbb{R})|u(t+T,x)=u(t,x+p_{j}{\bf e_{j}})=u(t,x)\\}$ with norm $\|u\|_{\mathcal{X}_{3}}=\sup_{t\in[0,T]}\|u(t,\cdot)\|_{X_{3}}$, and $\mathcal{X}_{i}^{+}=\\{u\in\mathcal{X}_{i}|u(t,x)\geq 0\\}$ $(i=1,2,3)$. And for $u^{1},u^{2}\in\mathcal{X}_{i}$, we define $u^{1}\leq u^{2}(u^{1}\geq u^{2})\text{ if }u^{2}-u^{1}\in\mathcal{X}_{i}^{+}\,(u_{1}-u_{2}\in\mathcal{X}_{i}^{+})$ $(i=1,2,3)$. For given $a(\cdot,\cdot)\in\mathcal{X}_{i}\cap C^{1}(\mathbb{R}\times\mathbb{R}^{N})$ , let $L^{\delta}_{i}(a):\mathcal{D}(L^{\delta}_{i}(a))\subset\mathcal{X}_{i}\to\mathcal{X}_{i}$ be defined as follows, $(L^{\delta}_{1}(a)u)(t,x)=-\partial_{t}u(t,x)+\nu_{\delta}\left[\int_{D}k_{\delta}(y-x)u(t,y)dy-u(t,x)\right]+a(t,x)u(t,x),\quad(t,x)\in\mathbb{R}\times\bar{D},$ (3.1) $(L^{\delta}_{2}(a)u)(t,x)=-\partial_{t}u(t,x)+\nu_{\delta}\int_{D}k_{\delta}(y-x)[u(t,y)-u(t,x)]dy+a(t,x)u(t,x),\quad(t,x)\in\mathbb{R}\times\bar{D},$ (3.2) and $(L^{\delta}_{3}(a)u)(t,x)=-\partial_{t}u(t,x)+\nu_{\delta}\int_{\mathbb{R}^{N}}k_{\delta}(y-x)[u(t,y)-u(t,x)]dy+a(t,x)u(t,x),\quad(t,x)\in\mathbb{R}\times\mathbb{R}^{N}.$ (3.3) We first recall the definition of principal spectrum points/eigenvalues of time periodic nonlocal dispersal operators. ###### Definition 3.1. Let $\lambda^{\delta}_{i}(a)=\sup\\{{\rm Re}\lambda|\lambda\in\sigma(L^{\delta}_{i}(a))\\}$ for $i=1,2,3$. * (1) $\lambda^{\delta}_{i}(a)$ is called the principal spectrum point of $L^{\delta}_{i}(a)$. * (2) If $\lambda^{\delta}_{i}(a)$ is an isolated algebraically simple eigenvalue of $L^{\delta}_{i}(a)$ with a positive eigenfunction, then $\lambda^{\delta}_{i}(a)$ is called the principal eigenvalue of $L^{\delta}_{i}(a)$ or it is said that $L^{\delta}_{i}(a)$ has a principal eigenvalue. For the time periodic random dispersal operators, let $a(\cdot,\cdot)\in\mathcal{X}_{i}\cap C^{1}(\mathbb{R}\times\mathbb{R}^{N})$, and $L_{i}(a):\mathcal{D}(L_{i}(a))\subset\mathcal{X}_{i}\to\mathcal{X}_{i}$ be defined as follows, $(L_{i}(a)u)(t,x)=-\partial_{t}u(t,x)+\Delta u(t,x)+a(t,x)u(t,x)$ for $i=1,2,3$. Note that for $u\in\mathcal{D}(L_{1}(a))$, $B_{r,D}u=u=0$ on $\partial D$ and for $u\in\mathcal{D}(L_{2}(a))$, $B_{r,N}u=\frac{\partial u}{\partial{\bf n}}=0$ on $\partial D$. Let $\lambda^{r}_{i}(a)=\sup\\{{\rm Re}\lambda|\lambda\in\sigma(L_{i}(a))\\}.$ It is well known that $\lambda^{r}_{i}(a)$ is an isolated algebraically simple eigenvalue of $L_{i}(a)$ with a positive eigenfunction (see [23]) and $\lambda^{r}_{i}(a)$ is called the principal eigenvalue of $L_{i}(a)$. Next we derive some properties of the principal spectrum points of nonlocal dispersal operators by using the spectral radius of the solution operators of the associated evolution equations. To this end, for $i=1,2,3$, define $\Phi_{i}^{\delta}(t,s;a):X_{i}\to X_{i}$ by $(\Phi_{i}^{\delta}(t,s;a)u_{0})(\cdot)=u_{i}(t,\cdot;s,u_{0},a),\quad u_{0}\in X_{i},$ where $u_{1}(t,\cdot;s,u_{0},a)$ is the solution to $\partial_{t}u(t,x)=\nu_{\delta}\left[\int_{D}k_{\delta}(y-x)u(t,y)dy-u(t,x)\right]+a(t,x)u(t,x),\quad x\in\bar{D}$ (3.4) with $u_{1}(s,\cdot;s,u_{0},a)=u_{0}(\cdot)\in X_{1}$, $u_{2}(t,\cdot;s,u_{0},a)$ is the solution to $\partial_{t}u(t,x)=\nu_{\delta}\int_{D}k_{\delta}(y-x)[u(t,y)-u(t,x)]dy+a(t,x)u(t,x),\quad x\in\bar{D}$ (3.5) with $u_{2}(s,\cdot;s,u_{0},a)=u_{0}(\cdot)\in X_{2}$, and $u_{3}(t,\cdot;s,u_{0},a)$ is the solution to $\partial_{t}u(t,x)=\nu_{\delta}\left[\int_{\mathbb{R}^{N}}k_{\delta}(y-x)u(t,y)dy-u(t,x)\right]+a(t,x)u(t,x),\quad x\in\mathbb{R}^{N}$ (3.6) with $u_{3}(s,\cdot;s,u_{0},a)=u_{0}(\cdot)\in X_{3}$. By general semigroup property, $\Phi_{i}^{\delta}(t,s;a)$ ($i=1,2,3$) is well defined. Let $A_{1}$ be $-\Delta$ with Dirichlet boundary condition acting on $X_{1}\cap C_{0}(D)$. Let $X_{1}^{r}=\mathcal{D}(A_{1}^{\alpha})$ (3.7) for some $0<\alpha<1$ such that $C^{1}(\bar{D})\subset X_{1}^{r}$ with $\|u\|_{X_{1}^{r}}=\|A_{1}^{\alpha}u\|_{X_{1}}$. Similarly, let $A_{2}$ be $-\Delta$ with Neumann boundary condition acting on $X_{2}$. Let $X_{2}^{r}=X_{2}$ (3.8) with $\|u\|_{X_{2}^{r}}=\|u\|_{X_{2}}$, and $X_{3}^{r}=X_{3}$ (3.9) with $\|u\|_{X_{3}^{r}}=\|u\|_{X_{3}}$. Let $X_{i}^{r,+}=\\{u\in X_{i}^{r}|u(x)\geq 0\\}$ (i=1, 2, 3). Similarly, for $i=1,2,3$, define $\Phi_{i}(t,s;a):X_{i}^{r}\to X_{i}^{r}$ by $(\Phi_{i}(t,s;a)u_{0})(\cdot)=u_{i}(t,\cdot;s,u_{0},a),\quad u_{0}\in X_{i}^{r},$ where $u_{1}(t,\cdot;s,u_{0},a)$ is the solution to $\begin{cases}\partial_{t}u(t,x)=\Delta u(t,x)+a(t,x)u(t,x),\quad&x\in D,\\\ u(t,x)=0,&x\in\partial D\end{cases}$ (3.10) with $u_{1}(s,\cdot;s,u_{0},a)=u_{0}(\cdot)\in X_{1}^{r}$, $u_{2}(t,\cdot;s,u_{0},a)$ is the solution to $\begin{cases}\partial_{t}u(t,x)=\Delta u(t,x)+a(t,x)u(t,x),\quad&x\in D,\\\ \frac{\partial u}{\partial{\bf n}}(t,x)=0,&x\in\partial D\end{cases}$ (3.11) with $u_{2}(s,\cdot;s,u_{0},a)=u_{0}(\cdot)\in X_{2}^{r}$, and $u_{3}(t,\cdot;s,u_{0},a)$ is the solution to $\begin{cases}\partial_{t}u(t,x)=\Delta u(t,x)+a(t,x)u(t,x),\quad&x\in\mathbb{R}^{N},\\\ u(t,x+p_{j}\mathbb{e_{j}})=u(t,x),&x\in\mathbb{R}^{N}\end{cases}$ (3.12) with $u_{3}(s,\cdot;s,u_{3},a)=u_{0}(\cdot)\in X_{3}^{r}$. Let $r(\Phi_{i}^{\delta}(T,0;a))$ be the spectral radius of $\Phi_{i}^{\delta}(T,0;a)$ and $\lambda_{i}^{\delta}(a)$ be the principal spectrum point of $L_{i}^{\delta}(a)$. We have the following propositions. ###### Proposition 3.1. Let $1\leq i\leq 3$ be given. Then $r(\Phi_{i}^{\delta}(T,0;a))=e^{\lambda_{i}^{\delta}(a)T}.$ ###### Proof. See [41, Proposition 3.3]. ∎ Similarly, let $r(\Phi_{i}(T,0;a))$ be the spectral radius of $\Phi_{i}(T,0;a)$ and $\lambda_{i}^{r}(a)$ be the principal eigenvalue of $L_{i}(a)$. Note that $X_{i}^{r}$ is a strongly ordered Banach space with the positive cone $C=\\{u\in X_{i}^{r}\,|\,u(x)\geq 0\\}$ and by the regularity, a priori estimates, and comparison principle for parabolic equations, $\Phi_{i}(T,0;a):X_{i}^{r}\to X_{i}^{r}$ is strongly positive and compact. Then by the Kreĭn-Rutman Theorem (see [43]), $r(\Phi_{i}(T,0;a))$ is an isolated algebraically simple eigenvalue of $\Phi_{i}(T,0;a)$ with a positive eigenfunction $u_{i}^{r}(\cdot)$ and for any $\mu\in\sigma(\Phi_{i}(T,0;a))\setminus\\{r(\Phi_{i}(T,0;a))\\}$, $\text{Re}\mu<r(\Phi_{i}(T,0;a)).$ The following propositions then follow. ###### Proposition 3.2. Let $1\leq i\leq 3$ be given. Then $r(\Phi_{i}(T,0;a))=e^{\lambda_{i}^{r}(a)T}.$ Moreover, there is a codimension one subspace $Z_{i}$ of $X_{i}^{r}$ such that $X_{i}^{r}=Y_{i}\oplus Z_{i},$ where $Y_{i}={\rm span}\\{u_{i}^{r}(\cdot)\\}$, and there are $M>0$ and $\gamma>0$ such that for any $w_{i}\in Z_{i}$, there holds $\frac{\|\Phi_{i}(nT,0;a)w_{i}\|_{X_{i}^{r}}}{\|\Phi_{i}(nT,0;a)u_{i}^{r}\|_{X_{i}^{r}}}\leq Me^{-\gamma nT}.$ ###### Proposition 3.3. For given $1\leq i\leq 3$ and $a_{1},a_{2}\in\mathcal{X}_{i}\cap C^{1}(\mathbb{R}\times\mathbb{R}^{N})$, $|\lambda_{i}^{\delta}(a_{1})-\lambda_{i}^{\delta}(a_{2})|\leq\max_{t\in[0,T],x\in\bar{D}}|a_{1}(t,x)-a_{2}(t,x)|,$ (3.13) and $|\lambda_{i}^{r}(a_{1})-\lambda_{i}^{r}(a_{2})|\leq\max_{t\in[0,T],x\in\bar{D}}|a_{1}(t,x)-a_{2}(t,x)|.$ (3.14) ###### Proof. Let $a_{0}=\max_{t\in[0,T],x\in\bar{D}}|a_{1}(t,x)-a_{2}(t,x)|$ and $a_{1}^{\pm}(t,x)=a_{1}(t,x)\pm a_{0}.$ It is not difficult to see that $\Phi_{i}^{\delta}(t,s;a_{1}^{\pm})=e^{\pm a_{0}(t-s)}\Phi_{i}^{\delta}(t,s;a_{1}).$ It then follows that $r(\Phi_{i}^{\delta}(T,0;a_{1}^{\pm}))=e^{(\lambda_{i}^{\delta}(a_{1})\pm a_{0})T}.$ (3.15) Observe that by Proposition 2.1, for any $u_{0}\in X_{i}^{+}$, $\Phi_{i}^{\delta}(T,0;a_{1}^{-})u_{0}\leq\Phi_{i}^{\delta}(T,0;a_{2})u_{0}\leq\Phi_{i}^{\delta}(T,0;a_{1}^{+})u_{0}.$ This implies that $r(\Phi_{i}^{\delta}(T,0;a_{1}^{-}))\leq r(\Phi_{i}^{\delta}(T,0;a_{2}))\leq r(\Phi_{i}^{\delta}(T,0;a_{1}^{+})).$ This together with (3.15) implies that $\lambda_{i}^{\delta}(a_{1})-a_{0}\leq\lambda_{i}^{\delta}(a_{2})\leq\lambda_{i}^{\delta}(a_{1})+a_{0},$ (3.16) that is, (3.13) holds. Similarly, we can prove that (3.14) holds. ∎ ### 3.2 Proof of Theorem B in the Dirichlet boundary condition case In this subsection, we prove Theorem B in the Dirichlet boundary condition case. Throughout this subsection, we assume $B_{r,b}u=B_{r,D}u$ in (1.10), and $D_{b}=D_{D}(=\mathbb{R}^{N}\setminus\bar{D})$ and $B_{n,b}u=B_{n,D}u$ in (1.11). Note that for any $a\in\mathcal{X}_{1}\cap C^{1}(\mathbb{R}\times\mathbb{R}^{N})$, there are $a_{n}\in\mathcal{X}_{1}\cap C^{3}(\mathbb{R}\times\mathbb{R}^{N})$ such that $\sup_{t\in[0,T]}\|a_{n}(t,\cdot)-a(t,\cdot)\|_{X_{1}}\to 0$ as $n\to\infty$. By Proposition 3.3, without loss of generality, we may assume that $a\in\mathcal{X}_{1}\cap C^{3}(\mathbb{R}\times\mathbb{R}^{N})$. ###### Proof of Theorem B in the Dirichlet boundary condition case. First of all, for the simplicity in notation, we put $\Phi(T,0)=\Phi_{1}(T,0;a),\,\ \quad\lambda_{1}^{r}=\lambda_{1}^{r}(a),$ and $\Phi^{\delta}(T,0)=\Phi_{1}^{\delta}(T,0;a),\quad\lambda_{1}^{\delta}=\lambda_{1}^{\delta}(a).$ Let $u^{r}(\cdot)$ be a positive eigenfunction of $\Phi(T,0)$ corresponding to $r(\Phi(T,0))$. Without loss of generality, we assume that $\|u^{r}\|_{X_{1}^{r}}=1$. We first show that for any $\epsilon>0$, there is $\delta_{1}>0$ such that for $0<\delta<\delta_{1}$, $\lambda_{1}^{\delta}\geq\lambda_{1}^{r}-\epsilon.$ (3.17) In order to do so, choose $D_{0}\subset\subset D$ and $u_{0}\in X_{1}^{r}\cap C^{3}(\bar{D})$ such that $u_{0}(x)=0$ for $x\in D\backslash D_{0}$, and $u_{0}(x)>0$ for $x\in\text{Int}D_{0}$. By Proposition 3.2, there exist $\alpha>0$, $M>0$, and $u^{\prime}\in Z_{1}$, such that $u_{0}(x)=\alpha u^{r}(x)+u^{\prime}(x),$ (3.18) and $\|\Phi(nT,0)u^{\prime}\|_{X_{1}^{r}}\leq Me^{-\gamma nT}e^{\lambda_{1}^{r}nT}.$ (3.19) By Theorem A, there is $\delta_{0}>0$ such that for $0<\delta<\delta_{0}$, there hold $\big{(}\Phi^{\delta}(nT,0)u^{r}\big{)}(x)\geq\big{(}\Phi(nT,0)u^{r}\big{)}(x)-C^{1}(nT,\delta),$ (3.20) and $\big{(}\Phi^{\delta}(nT,0)u^{\prime}\big{)}(x)\leq\big{(}\Phi(nT,0)u^{\prime}\big{)}(x)+C^{2}(nT,\delta),$ (3.21) where $C^{i}(nT,\delta)\to 0$ as $\delta\to 0$ ($i=1,2$). Hence for $0<\delta<\delta_{0}$, $\displaystyle\big{(}\Phi^{\delta}(nT,0)u_{0}\big{)}(x)=$ $\displaystyle\alpha\big{(}\Phi^{\delta}(nT,0)u^{r}\big{)}(x)+\big{(}\Phi^{\delta}(nT,0)u^{\prime}\big{)}(x)$ $\displaystyle\geq$ $\displaystyle\alpha\big{(}\Phi(nT,0)u^{r}\big{)}(x)-\alpha C^{1}(nT,\delta)-C^{2}(nT,\delta)-\|\Phi(nT,0)u^{\prime}\|_{X_{1}^{r}}$ $\displaystyle\geq$ $\displaystyle\alpha e^{\lambda_{1}^{r}nT}u^{r}(x)-\alpha C^{1}(nT,\delta)-C^{2}(nT,\delta)-Me^{-\gamma nT}e^{\lambda_{1}^{r}nT}$ $\displaystyle=$ $\displaystyle e^{(\lambda_{1}^{r}-\epsilon)nT}e^{\epsilon nT}(\alpha u^{r}(x)-Me^{-\gamma nT})-\alpha C^{1}(nT,\delta)-C^{2}(nT,\delta).$ (3.22) Note that there exists $m>0$ such that $u^{r}(x)\geq m>0\quad\text{ for }x\in\bar{D}_{0}.$ Hence for any $0<\epsilon<\gamma$, there is $n_{1}>0$ such that for $n\geq n_{1}$, $e^{\epsilon nT}(\alpha u^{r}(x)-Me^{-\gamma nT})\geq u_{0}(x)+1\quad{\rm for}\quad x\in\bar{D}_{0},$ (3.23) and there is $\delta_{1}\leq\delta_{0}$ such that for $0<\delta<\delta_{1}$, $C^{1}(n_{1}T,\delta)+C^{2}(n_{1}T,\delta)\leq e^{(\lambda_{1}^{r}-\epsilon)n_{1}T}.$ (3.24) Note that $u_{0}(x)=0$ for $x\in D\backslash D_{0}$ and $\big{(}\Phi^{\delta}(n_{1}T,0)u_{0}\big{)}(x)\geq 0$ for all $x\in\bar{D}$. This together with (3.2)-(3.24) implies that for $\delta<\delta_{1}$, $\big{(}\Phi^{\delta}(n_{1}T,0)u_{0}\big{)}(x)\geq e^{(\lambda_{1}^{r}-\epsilon)n_{1}T}u_{0}(x),\quad x\in\bar{D}.$ (3.25) By (3.25) and Proposition 2.1, for any $0<\delta<\delta_{1}$ and $n\geq 1$, $(\Phi^{\delta}(nn_{1}T,0)u_{0})(\cdot)\geq e^{(\lambda_{1}^{r}-\epsilon)nn_{1}T}u_{0}(\cdot).$ This together with Proposition 3.1 implies that for $0<\delta<\delta_{1}$, $e^{\lambda_{1}^{\delta}T}=r(\Phi^{\delta}(T,0))\geq e^{(\lambda_{1}^{r}-\epsilon)T}.$ Hence (3.17) holds. Next, we prove that for any $\epsilon>0$, there is $\delta_{2}>0$ such that for $0<\delta<\delta_{2}$, $\lambda_{1}^{\delta}\leq\lambda_{1}^{r}+\epsilon.$ (3.26) To this end, first, choose a sequence of smooth domains $\\{D_{m}\\}$ such that $D_{1}\supset D_{2}\supset D_{3}\cdots\supset D_{m}\supset\cdots\supset\bar{D}$, and $\cap_{m=1}^{\infty}D_{m}=\bar{D}$. Consider the following evolution equation $\begin{cases}\partial_{t}u(t,x)=\Delta u(t,x)+a(t,x)u(t,x),\quad&x\in D_{m},\cr u(t,x)=0,\quad&x\in\partial D_{m}.\end{cases}$ (3.27) Let $X_{1,m}=\\{u\in C(\bar{D}_{m},\mathbb{R})\\},$ and $X_{1,m}^{r}=\mathcal{D}(A_{1,m}^{\alpha}),$ where $A_{1,m}$ is $-\Delta$ with Dirichlet boundary condition acting on $X_{1,m}\cap C_{0}(D_{m})$ and $0<\alpha<1$. We denote the solution of (3.27) by $u_{m}(t,\cdot;s,u_{0})=(\Phi_{m}(t,s)u_{0})(\cdot)$ with $u(s,\cdot;s,u_{0})=u_{0}(\cdot)\in X_{1,m}^{r}$. By Proposition 3.2, we have $r(\Phi_{m}(T,0))=e^{\lambda_{1,m}^{r}T},$ where $\lambda^{r}_{1,m}$ is the principal eigenvalue of the following eigenvalue problem, $\begin{cases}-\partial_{t}u+\Delta u+a(t,x)u=\lambda u,\quad&x\in D_{m},\cr u(t+T,x)=u(t,x),\quad&x\in D_{m},\cr u(t,x)=0,\quad&x\in\partial D_{m}.\end{cases}$ By the dependence of the principle eigenvalue on the domain perturbation (see [15]), for any $\epsilon>0$, there exists $m_{1}$ such that $\lambda_{1,m_{1}}^{r}\leq\lambda_{1}^{r}+\frac{\epsilon}{2}.$ (3.28) Secondly, let $u_{m_{1}}^{r}(\cdot)$ be a positive eigenfunction of $\Phi_{m_{1}}(T,0)$ corresponding to $r(\Phi_{m_{1}}(T,0))$. By regularity for parabolic equations, $u_{m_{1}}^{r}\in C^{3}(\bar{D}_{m_{1}})$. Let $(\Phi_{m_{1}}^{\delta}(t,0)u^{r}_{m_{1}})(x)$ be the solution to $\begin{cases}u_{t}=\nu_{\delta}\left[\int_{D_{m_{1}}}k_{\delta}(y-x)u(t,y)dy-u(t,x)\right]+a(t,x)u(t,x),\quad&x\in\bar{D}_{m_{1}},\\\ u(0,x)=u_{m_{1}}^{r}(x).\end{cases}$ (3.29) Then by Theorem A, $\big{(}\Phi_{m_{1}}^{\delta}(nT,0)u_{m_{1}}^{r}\big{)}(x)\leq\big{(}\Phi_{m_{1}}(nT,0)u_{m_{1}}^{r}\big{)}(x)+C(nT,\delta)\quad\forall\,\,x\in\bar{D}_{m_{1}},$ where $C(nT,\delta)\to 0$ as $\delta\to 0$. By Proposition 2.1, $\big{(}\Phi^{\delta}(nT,0)u_{m_{1}}^{r}|_{\bar{D}}\big{)}(x)\leq\big{(}\Phi_{m_{1}}^{\delta}(nT,0)u_{m_{1}}^{r}\big{)}(x)\quad\forall\,\,x\in\bar{D}.$ It then follows that for $x\in\bar{D}$, $\displaystyle\big{(}\Phi^{\delta}(nT,0)u_{m_{1}}^{r}|_{\bar{D}}\big{)}(x)$ $\displaystyle\leq\big{(}\Phi_{m_{1}}(nT,0)u_{m_{1}}^{r}\big{)}(x)+C(nT,\delta)$ $\displaystyle=e^{\lambda_{m_{1}}^{r}nT}u_{m_{1}}^{r}(x)+C(nT,\delta)$ $\displaystyle\leq e^{(\lambda_{1}^{r}+\frac{\epsilon}{2})nT}u_{m_{1}}^{r}(x)+C(nT,\delta)$ $\displaystyle=e^{(\lambda_{1}^{r}+\epsilon)nT}e^{-\frac{\epsilon}{2}nT}u_{m_{1}}^{r}(x)+C(nT,\delta).$ (3.30) Note that $\min_{x\in\bar{D}}u_{m_{1}}^{r}(x)>0.$ Hence for any $\epsilon>0$, there is $n_{2}\geq 1$ such that $e^{-\frac{\epsilon}{2}n_{2}T}\leq\frac{1}{2},$ (3.31) and there is $\delta_{2}>0$ such that for $0<\delta<\delta_{2}$, $C(n_{2}T,\delta)\leq\frac{1}{2}e^{(\lambda_{1}^{r}+\epsilon)n_{2}T}u_{m_{1}}^{r}(x)\quad\forall\,x\in\bar{D}.$ (3.32) By (3.2)-(3.32), $\big{(}\Phi^{\delta}(n_{2}T,0)u_{m_{1}}^{r}|_{\bar{D}}\big{)}(x)\leq e^{(\lambda_{1}^{r}+\epsilon)n_{2}T}u_{m_{1}}^{r}(x)\quad\forall\,\,x\in\bar{D}.$ This together with Proposition 2.1 implies that for $0<\delta<\delta_{2}$, $\big{(}\Phi^{\delta}(nn_{2}T,0)u_{m_{1}}^{r}|_{\bar{D}}\big{)}(x)\leq e^{(\lambda_{1}^{r}+\epsilon)nn_{2}T}u_{m_{1}}^{r}(x)\quad\forall\,\,x\in\bar{D}.$ (3.33) This together with Proposition 3.1 implies that $\lambda_{1}^{\delta}\leq\lambda_{1}^{r}+\epsilon$ for $0<\delta<\delta_{2}$, that is, (3.26) holds. Theorem B in the Dirichlet boundary condition case then follows from (3.17) and (3.26). ∎ ### 3.3 Proofs of Theorem B in the Neumann and periodic boundary condition cases ###### Proof of Theorem B in the Neumann boundary condition case. We assume $B_{r,b}u=B_{r,N}u$ in (1.10), and $D_{b}=D_{N}(=\emptyset)$ in (1.11). The proof in the Neumann boundary condition case is similar to the arguments in the Dirichlet boundary condition case (it is simpler). For the completeness, we give a proof in the following. Without loss of generality, we may also assume that $a\in\mathcal{X}_{2}\cap C^{3}(\mathbb{R}\times\mathbb{R}^{N})$. For the simplicity in notation, put $\Phi(nT,0)=\Phi_{2}(nT,0;a),\quad\,\ \lambda_{2}^{r}=\lambda_{2}^{r}(a),$ and $\Phi^{\delta}(nT,0)=\Phi_{2}^{\delta}(nT,0;a),\quad\lambda_{2}^{\delta}=\lambda_{2}^{\delta}(a).$ By Propositions 3.1 and 3.2, $r(\Phi(T,0))=e^{\lambda_{2}^{r}T},$ (3.34) and $r(\Phi^{\delta}(T,0))=e^{\lambda_{2}^{\delta}T}.$ (3.35) Let $u^{r}(\cdot)$ be a positive eigenfunction of $\Phi(T,0)$ corresponding to $r(\Phi(T,0))$. By regularity for parabolic equations, $u^{r}\in C^{3}(\bar{D})$. By Theorem A, we have $\|\Phi^{\delta}(nT,0)u^{r}-\Phi(nT,0)u^{r}\|_{X_{2}}\leq C(nT,\delta),$ where $C(nT,\delta)\to 0$ as $\delta\to 0$. This implies that for all $x\in\bar{D}$, $\displaystyle\big{(}\Phi^{\delta}(nT,0)u^{r}\big{)}(x)$ $\displaystyle\geq\big{(}\Phi(nT,0)u^{r}\big{)}(x)-C(nT,\delta)$ $\displaystyle=e^{\lambda_{2}^{r}nT}u^{r}(x)-C(nT,\delta)$ $\displaystyle=e^{(\lambda_{2}^{r}-\epsilon)nT}e^{\epsilon nT}u^{r}(x)-C(nT,\delta),$ (3.36) and $\displaystyle\big{(}\Phi^{\delta}(nT,0)u^{r}\big{)}(x)$ $\displaystyle\leq\big{(}\Phi(nT,0)u^{r}\big{)}(x)+C(nT,\delta)$ $\displaystyle=e^{\lambda_{2}^{r}nT}u^{r}(x)+C(nT,\delta)$ $\displaystyle=e^{(\lambda_{2}^{r}+\epsilon)nT}e^{-\epsilon nT}u^{r}(x)+C(nT,\delta).$ (3.37) Note that $\min_{x\in\bar{D}}u^{r}(x)>0.$ (3.38) Hence for any $\epsilon>0$, there is $n_{1}>1$ such that $\begin{cases}e^{\epsilon n_{1}T}u^{r}(x)\geq\frac{3}{2}u^{r}(x)\quad\forall\,x\in\bar{D},\\\ \\\ e^{-\epsilon n_{1}T}u^{r}(x)\leq\frac{1}{2}u^{r}(x)\quad\forall\,x\in\bar{D},\end{cases}$ (3.39) and there is $\delta_{0}>0$ such that for any $0<\delta<\delta_{0}$, $C(n_{1}T)\delta<\frac{1}{2}e^{(\lambda_{2}^{r}-\epsilon)n_{1}T}u^{r}(x)\quad\forall\,x\in\bar{D}.$ (3.40) By (3.3)-(3.40), we have that for any $0<\delta<\delta_{0}$, $e^{(\lambda_{2}^{r}-\epsilon)n_{1}T}u^{r}(x)\leq\big{(}\Phi^{\delta}(n_{1}T,0)u^{r}\big{)}(x)\leq e^{(\lambda_{2}^{r}+\epsilon)n_{1}T}u^{r}(x)\quad\forall\,x\in\bar{D}.$ This together with Proposition 2.1 implies that for all $n\geq 1$, $e^{(\lambda_{2}^{r}-\epsilon)n_{1}nT}u^{r}(x)\leq\big{(}\Phi^{\delta}(n_{1}nT,0)u^{r}\big{)}(x)\leq e^{(\lambda_{2}^{r}+\epsilon)n_{1}nT}u^{r}(x)\quad\forall\,x\in\bar{D}.$ It then follows that for any $0<\delta<\delta_{0}$, $e^{(\lambda_{2}^{r}-\epsilon)T}\leq r(\Phi^{\delta}(T,0))\leq e^{(\lambda_{2}^{r}+\epsilon)T}.$ By Proposition 3.1, we have $|\lambda_{2}^{\delta}-\lambda_{2}^{r}|<\epsilon\quad\forall\,0<\delta<\delta_{0}.$ Theorem B in the Neumann boundary condition case is thus proved. ∎ ###### Proof of Theorem B in the periodic boundary condition case. We assume $D=\mathbb{R}^{N}$, and $B_{r,b}u=B_{r,P}u$ in (1.10), and $B_{n,b}u=B_{n,P}u$ in (1.11). It can be proved by the same arguments as in the Neumann boundary condition case. ∎ ## 4 Approximation of Time Periodic Positive Solutions of Random Dispersal KPP Equations by Nonlocal Dispersal KPP Equations In this section, we study the approximation of the asymptotic dynamics of time periodic KPP equations with random dispersal by those of time periodic KPP equations with nonlocal dispersal. We first recall the existing results about time periodic positive solutions of KPP equations with random as well as nonlocal dispersal. Then we prove Theorem C. Throughout this section, we assume that $D$ is as in (H0), and (H1), (H2) and (H2)δ hold. Recall that, (H2) implies (H2)δ for $\delta$ sufficiently small by Theorem B. ### 4.1 Basic properties In this subsection, we present some basic known results for (1.12) and (1.13). Let $X_{1}^{r}$, $X_{2}^{r}$, and $X_{3}^{r}$ be defined as in (3.7), (3.8), and (3.9), respectively. For $u_{0}\in X_{i}^{r}$, let $(U(t,0)u_{0})(\cdot)=u(t,\cdot;u_{0})$, where $u(t,\cdot;u_{0})$ is the solution to (1.12) with $u(0,\cdot;u_{0})=u_{0}(\cdot)$ and $B_{r,b}u=B_{r,D}u$ when $i=1$, $B_{r,b}u=B_{r,N}u$ when $i=2$, and $B_{r,b}u=B_{r,P}u$ when $i=3$. Similarly, for $u_{0}\in X_{i}$, let $(U^{\delta}(t,0)u_{0})(\cdot)=u^{\delta}(t,\cdot;u_{0})$, where $u^{\delta}(t,\cdot;u_{0})$ is the solution to (1.13) with $u^{\delta}(0,\cdot;u_{0})=u_{0}(\cdot)$ and $D_{b}=D_{D}(=\mathbb{R}^{N}\backslash\bar{D})$, $B_{n,b}u=B_{n,D}u$ when $i=1$, $D_{b}=D_{N}(=\emptyset)$ when $i=2$, and $B_{n,b}u=B_{n,P}u$ and $D_{b}=D_{p}(=\mathbb{R}^{N})$ when $i=3$. ###### Proposition 4.1. * (1) If $u_{0}\geq 0$, solution $u(t,\cdot;u_{0})$ to (1.12) with $u(0,\cdot;u_{0})=u_{0}(\cdot)$ exists for all $t\geq 0$ and $u(t,\cdot;u_{0})\geq 0$ for all $t\geq 0$. * (2) If $u_{0}\geq 0$, solution $u(t,\cdot;u_{0})$ to (1.13) with $u(0,\cdot;u_{0})=u_{0}(\cdot)$ exists for all $t\geq 0$ and $u(t,\cdot;u_{0})\geq 0$ for all $t\geq 0$. ###### Proof. (1) Note that $u(\cdot)\equiv 0$ is a sub-solution of (1.12) and $u(\cdot)\equiv M$ is a super-solution of (1.12) for $M\gg 1$. Then by Proposition 2.1, there is $M\gg 1$ such that $0\leq u(t,x;u_{0})\leq M\quad\forall\,\,x\in\bar{D},\,\,t\in(0,t_{\max}),$ where $(0,t_{\max})$ is the interval of existence of $u(t,\cdot;u_{0})$. This implies that we must have $t_{\max}=\infty$ and hence (1) holds. (2) It can be proved by similar arguments as in (1). ∎ ###### Proposition 4.2. * (1) (1.12) has a unique globally stable positive time periodic solution $u^{*}(t,x)$. * (2) (1.13) has a unique globally stable time periodic positive solution $u^{*}_{\delta}(t,x)$. ###### Proof. (1) See [45, Theorem 3.1] (see also [33, Theorems 1.1, 1.3]). (2) See [36, Theorem E]. ∎ ###### Remark 4.1. By Proposition 4.2(2), if there is $u_{0}\in X_{i}^{+}\setminus\\{0\\}$ such that $(U^{\delta}(nT,0)u_{0})(\cdot)\geq u_{0}(\cdot)$ for some $n\geq 1$, then we must have $\lim_{n\to\infty}(U^{\delta}(nT,0)u_{0})(\cdot)=u^{*}_{\delta}(0,\cdot)$ and hence $(U^{\delta}(nT,0)u_{0})(\cdot)\leq u^{*}_{\delta}(0,\cdot).$ Similarly, if there is $u_{0}\in X_{i}^{+}\setminus\\{0\\}$ such that $(U^{\delta}(nT,0)u_{0})(\cdot)\leq u_{0}(\cdot)$ for some $n\geq 1$, then $(U^{\delta}(nT,0)u_{0})(\cdot)\geq u^{*}_{\delta}(0,\cdot).$ ### 4.2 Proof of Theorem C in the Dirichlet boundary condition case In this subsection, we prove Theorem C in the Dirichlet boundary condition case. Throughout this subsection, we assume that $B_{r,b}u=B_{r,D}u$ in (1.12), and $D_{b}=D_{D}$ and $B_{n,b}u=B_{n,D}u$ in (1.13). ###### Proof of Theorem C in the Dirichlet boundary condition case. First of all, note that it suffices to prove that for any $\epsilon>0$, there is $\delta_{0}>0$ such that for $0<\delta<\delta_{0}$, $u_{\delta}^{*}(t,x)-\epsilon\leq u^{*}(t,x)\leq u_{\delta}^{*}(t,x)+\epsilon\quad\forall\,\,t\in[0,T],\,\,x\in\bar{D}.$ We first show that for any $\epsilon>0$, there is $\delta_{1}>0$ such that for $0<\delta<\delta_{1}$, $u^{*}(t,x)\leq u_{\delta}^{*}(t,x)+\epsilon\quad\forall\,\,t\in[0,T],\,\,x\in\bar{D}.$ (4.1) To this end, choose a smooth function $\phi_{0}\in C_{0}^{\infty}(D)$ satisfying that $\phi_{0}(x)\geq 0$ for $x\in D$ and $\phi_{0}(\cdot)\not\equiv 0$. Let $0<\eta\ll 1$ be such that $u_{-}(x):=\eta\phi_{0}(x)<u^{*}(0,x)\quad{\rm for}\quad x\in\bar{D}.$ Then there is $\epsilon_{0}>0$ such that $u^{*}(0,x)\geq u_{-}(x)+\epsilon_{0}\quad{\rm for}\quad x\in{\rm supp}(\phi_{0}).$ (4.2) By Proposition 4.2, there is $N\gg 1$ such that $\big{(}U(NT,0)u_{-}\big{)}(x)\geq u^{*}(NT,x)-\epsilon_{0}/2=u^{*}(0,x)-\epsilon_{0}/2\quad\forall\,\,x\in\bar{D}.$ By Theorem A, there is $\bar{\delta}_{1}>0$ such that for $0<\delta<\bar{\delta}_{1}$, we have $\big{(}U^{\delta}(NT,0)u_{-}\big{)}(x)\geq\big{(}U(NT,0)u_{-}\big{)}(x)-\epsilon_{0}/2\quad\forall\,\,x\in\bar{D}.$ Hence for $0<\delta<\bar{\delta}_{1}$, $\big{(}U^{\delta}(NT,0)u_{-}\big{)}(x)\geq u^{*}(0,x)-\epsilon_{0}\quad\forall\,\,x\in\bar{D}.$ (4.3) Note that $\big{(}U^{\delta}(NT,0)u_{-}\big{)}(x)\geq 0\quad\forall\,\,x\in\bar{D}.$ It then follows from (4.2) and (4.3) that for $0<\delta<\bar{\delta}_{1}$, $\big{(}U^{\delta}(NT,0)u_{-}\big{)}(x)\geq u_{-}(x)\quad\forall\,\,x\in\bar{D}.$ This together with Proposition 4.2 (2) implies that $\big{(}U^{\delta}(NT,0)u_{-}\big{)}(x)\leq u_{\delta}^{*}(0,x)\quad\forall\,\,x\in\bar{D}$ (4.4) (see Remark 4.1). By Proposition 4.2 (1) again, for $n\gg 1$, $u^{*}(t,x)\leq(U(nNT+t,0)u_{-})(x)+\epsilon/2\,\,\,\,\forall\,\,t\in[0,T],\,\,x\in\bar{D}.$ (4.5) Fix an $n\gg 1$ such that (4.5) holds. By Theorem A, there is $0<\tilde{\delta}_{1}\leq\bar{\delta}_{1}$ such that for $0<\delta<\tilde{\delta}_{1}$, $\displaystyle(U(nNT+t,0)u_{-})(x)\leq(U^{\delta}(nNT+t,0)u_{-})(x)+C_{1}(\delta),$ (4.6) where $C_{1}(\delta)\to 0$ as $\delta\to 0$. By (4.4), Proposition 2.1, and Proposition 4.2 (2), $\big{(}U^{\delta}(nNT+t,0)u_{-}\big{)}(x)\leq\big{(}U^{\delta}(t,0)u^{*}_{\delta}(0,\cdot)\big{)}(x)=u_{\delta}^{*}(t,x)$ (4.7) for $t\in[0,T]$ and $x\in\bar{D}$. Let $0<\delta_{1}\leq\tilde{\delta}_{1}$ be such that $C_{1}(\delta)<\epsilon/2\quad\forall\,\,0<\delta<\delta_{1}.$ (4.8) (4.1) then follows from (4.5)-(4.8). Next, we need to show for any $\epsilon>0$, there is $\delta_{2}>0$ such that for $0<\delta<\delta_{2}$, $u^{*}(t,x)\geq u_{\delta}^{*}(t,x)-\epsilon\quad\forall\,\,t\in[0,T],\,\,x\in\bar{D}.$ (4.9) To this end, choose a sequence of open sets $\\{D_{m}\\}$ with smooth boundaries such that $D_{1}\supset D_{2}\supset D_{3}\cdots\supset D_{m}\supset\cdots\supset\bar{D}$, and $\bar{D}=\cap_{m=1}^{\infty}D_{m}$. According to Corollary 5.11 in [17], $D_{m}\to D$ regularly and all assertions of Theorem 5.5 in [17] hold. Consider $\begin{cases}\partial_{t}u=\Delta u+uf(t,x,u),\quad&x\in D_{m},\\\ u(t,x)=0,\quad&x\in\partial D_{m}.\end{cases}$ (4.10) Let $U_{m}(t,0)u_{0}=u(t,\cdot;u_{0})$, where $u(t,\cdot;u_{0})$ is the solution to (4.10) with $u(0,\cdot;u_{0})=u_{0}(\cdot)$. By Proposition 4.2, (4.10) has a unique time periodic positive solution $u_{m}^{*}(t,x)$. We first claim that $\lim_{m\to\infty}u_{m}^{*}(t,x)\to u^{*}(t,x)\,\,\,\text{uniformly in}\,\,t\in[0,T]\,\,\text{and}\,\,x\in\bar{D}.$ (4.11) In fact, it is clear that $u^{*}\in C(\mathbb{R}\times\bar{D},\mathbb{R})$ and $u_{m}^{*}\in C(\mathbb{R}\times\bar{D}_{m},\mathbb{R})$. By [15, Theorem 7.1], $\sup_{t\in\mathbb{R}}\|u_{m}^{*}(t,\cdot)-u^{*}(t,\cdot)\|_{L^{q}(D)}\to 0\quad{\rm as}\quad m\to\infty$ for $1\leq q<\infty$. Let $a(t,x)=f(t,x,u^{*}(t,x))$ and $a_{m}(t,x)=f(t,x,u_{m}^{*}(t,x))$. Then $u^{*}(t,x)$ and $u_{m}^{*}(t,x)$ are time periodic solutions to the following linear parabolic equations, $\begin{cases}u_{t}=\Delta u+a(t,x)u,\quad&x\in D,\cr u(t,x)=0,&x\in\partial D,\end{cases}$ (4.12) and $\begin{cases}u_{t}=\Delta u+a_{m}(t,x)u,\quad&x\in D_{m},\cr u(t,x)=0,&x\in\partial D_{m},\end{cases}$ (4.13) respectively. Observe that there is $M>0$, such that $\|a\|_{L^{\infty}([T,2T]\times D)}<M,\,\,\|a_{m}\|_{L^{\infty}([T,2T]\times D_{m})}<M,\,\,\|u^{*}(0,\cdot)\|_{L^{\infty}(D)}<M,\text{ and }\|u_{m}^{*}(0,\cdot)\|_{L^{\infty}(D_{m})}<M.$ By [1, Theorem D(1)], $\\{u_{m}^{*}(t,x)\\}$ is equi-continuous on $[T,2T]\times\bar{D}$. Without loss of generality, we may then assume that $u_{m}^{*}(t,x)$ converges uniformly on $[T,2T]\times\bar{D}$. But $u_{m}^{*}(t,\cdot)\to u^{*}(t,\cdot)$ in $L^{q}(D)$ uniformly in $t$. We then must have $u_{m}^{*}(t,x)\to u^{*}(t,x)\quad{\rm as}\quad n\to\infty$ uniformly in $(t,x)\in[T,2T]\times\bar{D}$. This together with the time periodicity of $u_{m}^{*}$ shows that (4.11) holds. Next, for any $\epsilon>0$, fix $m\gg 1$ such that $u^{*}(t,x)\geq u_{m}^{*}(t,x)-\epsilon/3\quad\forall\,\,t\in[0,T],\,\,x\in\bar{D}.$ (4.14) Choose $M\gg 1$ such that for $0<\delta\leq 1$, $Mu_{m}^{*}(t,x)\geq u_{\delta}^{*}(t,x)\,\,\,\,\forall\,\,t\in[0,T],\,\,x\in\bar{D}.$ (4.15) Let $u_{m}^{+}(x)=Mu_{m}^{*}(0,x),\quad u^{+}(x)=u_{m}^{+}(x)|_{\bar{D}}.$ By Proposition 4.2, for fixed $m$ and $\epsilon$, there exists $N\gg 1$, such that $u_{m}^{*}(t,x)\geq\big{(}U_{m}(NT+t,0)u_{m}^{+}\big{)}(x)-\epsilon/3\quad\forall\,\,t\in[0,T],\,\,x\in\bar{D}.$ (4.16) By Theorem A, there is $0<\tilde{\delta}_{2}<1$ such that for $0<\delta<\tilde{\delta}_{2}$, $(U_{m}(NT+t,0)u_{m}^{+})(x)\geq(U_{m}^{\delta}(NT+t,0)u_{m}^{+})(x)-C_{2}(\delta)\quad\forall\,t\in[0,T],\,\ x\in D_{m},$ (4.17) where $C_{2}(\delta)\to 0$ as $\delta\to 0$ and $(U^{\delta}_{m}(t,0)u_{0})(\cdot)=u(t,\cdot;u_{0})$ is the solution to $\begin{cases}u_{t}(t,x)=\nu_{\delta}\left[\int_{D_{m}}k_{\delta}(y-x)u(t,y)dy-u(t,x)\right]+u(t,x)f(t,x,u(t,x)),\quad&x\in\bar{D}_{m}\cr u(0,x)=u_{0}(x),&x\in\bar{D}_{m}.\end{cases}$ Let $0<\delta_{2}<\tilde{\delta}_{2}$ be such that for $0<\delta<\delta_{2}$, $C_{2}(\delta)<\epsilon/3.$ (4.18) By Proposition 2.1, for $x\in\bar{D}$ we have $(U_{m}^{\delta}(NT+t,0)u_{m}^{+})(x)\geq(U^{\delta}(NT+t,0)u^{+})(x),$ and $(U^{\delta}(NT+t,0)u^{+})(x)=(U^{\delta}(t,0)U^{\delta}(NT,0)u^{+})(x)\geq(U^{\delta}(t,0)u_{\delta}^{*}(0,\cdot))(x)=u_{\delta}^{*}(t,x).$ This together with (4.14), (4.16), (4.17), and (4.18) implies (4.9). So, for any $\epsilon>0$, there exists $\delta_{0}=\min\\{\delta_{1},\delta_{2}\\}$, such that for any $\delta<\delta_{0}$, we have $|u^{*}(t,x)-u_{\delta}^{*}(t,x)|\leq\epsilon\,\ \text{ uniform in }t>0\text{ and }x\in\bar{D}.$ ∎ ### 4.3 Proofs of Theorem C in the Neumann and periodic boundary condition cases In this subsection, we prove Theorem C in the Neumann and periodic boundary condition cases. ###### Proof of Theorem C in the Neumann boundary condition case. We assume $B_{r,b}u=B_{r,N}u$ in (1.10), and $D_{b}=D_{N}(=\emptyset)$ in (1.11). The proof in the Neumann boundary condition case is similar to the arguments in the Dirichlet boundary condition case (it is indeed simpler). For completeness, we provide a proof. First, we show that for any $\epsilon>0$, there is $\delta_{1}>0$ such that $u^{*}(t,x)\leq u_{\delta}^{*}(t,x)+\epsilon\quad\forall\,\,t\in[0,T],\,\,x\in\bar{D},$ (4.19) if $0<\delta<\delta_{1}$. Choose a smooth function $u_{-}\in C^{\infty}(\bar{D})$ with $u_{-}(\cdot)\geq 0$ and $u_{-}(\cdot)\not\equiv 0$ such that $u_{-}(x)<u^{*}(0,x)\quad\forall\,\,x\in\bar{D}.$ Then there is $\epsilon_{0}>0$ such that $u^{*}(0,x)\geq u_{-}(x)+\epsilon_{0}\quad\forall\,\,x\in\bar{D}.$ (4.20) By Proposition 4.2 (1), there is $N\gg 1$ such that $\big{(}U(NT,0)u_{-}\big{)}(x)\geq u^{*}(0,x)-\epsilon_{0}/2\quad\forall\,\,x\in\bar{D}.$ (4.21) By Theorem A, there is $\bar{\delta}_{1}>0$ such that for $0<\delta<\bar{\delta}_{1}$, $(U^{\delta}(NT,0)u_{-})(x)\geq(U(NT,0)u_{-})(x)-\epsilon_{0}/2\quad\forall\,\,x\in\bar{D}.$ (4.22) By (4.20), (4.21) and (4.22), $\big{(}U^{\delta}(NT,0)u_{-}\big{)}(x)\geq u_{-}(x)\quad\forall\,\,x\in\bar{D},$ and then by Proposition 4.2 (2), $\big{(}U^{\delta}(NT,0)u_{-}\big{)}(x)\leq u_{\delta}^{*}(0,x)\quad\forall\,\,x\in\bar{D}.$ (4.23) By Proposition 4.2 (1) again, for any given $\epsilon>0$, $n\gg 1$, and $0<\delta<\bar{\delta}_{1}$, $\displaystyle u^{*}(t,x)$ $\displaystyle\leq(U(nNT+t,0)u_{-})(x)+\epsilon/2\quad\forall\,\,t\in[0,T],\,\,x\in\bar{D}.$ (4.24) By Theorem A, there is $0<\delta_{1}\leq\bar{\delta}_{1}$ such that for $\delta<\delta_{1}$, $\displaystyle(U(nNT+t,0)u_{-})(x)\leq(U^{\delta}(nNT+t,0)u_{-})(x)+\frac{\epsilon}{2}\quad\forall\,\,t\in[0,T],\,\,x\in\bar{D}.$ (4.25) By Proposition 2.1 and (4.23), we have $(U^{\delta}(nNT+t,0)u_{-})(x)=(U^{\delta}(t,0)U^{\delta}(nNT,0)u_{-})(x)\leq(U^{\delta}(t,0)u^{*}_{\delta}(t,\cdot))(x)=u_{\delta}^{*}(t,x)$ (4.26) for $t\in[0,T]$ and $x\in\bar{D}$. (4.19) then follows from (4.24)-(4.26). Next, we show that for any $\epsilon>0$, there is $\delta_{2}>0$ such that for $0<\delta<\delta_{2}$, $u^{*}(t,x)\geq u_{\delta}^{*}(t,x)-\epsilon\quad\forall\,\,t\in[0,T],\,\,x\in\bar{D}.$ (4.27) Choose $M\gg 1$ such that $f(t,x,M)<0$ for $t\in\mathbb{R}$ and $x\in\bar{D}$. Put $u^{+}(x)=M\quad\forall\,\,x\in\bar{D}.$ Then for all $\delta>0$, $u_{\delta}^{*}(0,x)\leq u^{+}(x)\quad\forall\,\,x\in\bar{D}.$ (4.28) By Proposition 4.2, there is $N\gg 1$ such that $u^{*}(t,x)\geq(U(NT+t,0)u^{+})(x)-\epsilon/2\quad\forall\,\,t\in[0,T],\,\,x\in\bar{D}.$ (4.29) By Theorem A, there is $\delta_{2}>0$ such that for $0<\delta<\delta_{2}$, $(U(NT+t,0)u^{+})(x)\geq(U^{\delta}(NT+t,0)u^{+})(x)-\frac{\epsilon}{2}\quad\forall\,\,t\in[0,T],\,\,x\in\bar{D}.$ (4.30) By (4.28), $(U^{\delta}(NT+t,0)u^{+})(x)=(U^{\delta}(t,0)U^{\delta}(NT,0)u^{+})(x)\geq(U^{\delta}(t,0)u_{\delta}^{*}(t,\cdot))(x)=u_{\delta}^{*}(t,x)$ (4.31) for $t\in[0,T]$ and $x\in\bar{D}$. (4.27) then follows from (4.29)-(4.31). So, for any $\epsilon>0$, there exists $\delta_{0}=\min\\{\delta_{1},\delta_{2}\\}$, such that for any $0<\delta<\delta_{0}$, we have $|u^{*}(t,x)-u_{\delta}^{*}(t,x)|\leq\epsilon\,\ \text{ uniform in }t>0\text{ and }x\in\bar{D}.$ ∎ ###### Proof of Theorem C in the periodic boundary condition case. We assume $D=\mathbb{R}^{N}$, and $B_{r,b}u=B_{r,P}u$ in (1.10), and $B_{n,b}u=B_{n,P}u$ in (1.11). It can be proved by the similar arguments as in the Neumann boundary condition case. ∎ Acknowledgments. The authors would like to thank the referees for the valuable comments and suggestions which improved the presentation of this paper considerably. ## References * [1] D. G. Aronson, Non-negative solutions of linear parabolic equations, Ann. Scuola Norm. Sup. Pisa (3) 22 (1968), 607-694. * [2] D. G. Aronson and H. F. 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arxiv-papers
2014-02-25T21:25:56
2024-09-04T02:49:58.921607
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Wenxian Shen and Xiaoxia Xie", "submitter": "Xiaoxia Xie", "url": "https://arxiv.org/abs/1402.6353" }
1402.6407
S. Chambi, D. Lemire, O. Kaser, R. GodinBetter bitmap performance with Roaring bitmaps Natural Sciences and Engineering Research Council of Canada261437 Daniel Lemire, LICEF Research Center, TELUQ, Université du Québec, 5800 Saint-Denis, Office 1105, Montreal (Quebec), H2S 3L5 Canada. Email: [email protected] # Better bitmap performance with Roaring bitmaps S. Chambi 1 D. Lemire 2 O. Kaser 3 R. Godin 1 11affiliationmark: Département d’informatique, UQAM, Montreal, Qc, Canada22affiliationmark: LICEF Research Center, TELUQ, Montreal, QC, Canada33affiliationmark: Computer Science and Applied Statistics, UNB Saint John, Saint John, NB, Canada ###### Abstract Bitmap indexes are commonly used in databases and search engines. By exploiting bit-level parallelism, they can significantly accelerate queries. However, they can use much memory, and thus we might prefer compressed bitmap indexes. Following Oracle’s lead, bitmaps are often compressed using run- length encoding (RLE). Building on prior work, we introduce the _Roaring_ compressed bitmap format: it uses packed arrays for compression instead of RLE. We compare it to two high-performance RLE-based bitmap encoding techniques: WAH (Word Aligned Hybrid compression scheme) and Concise (Compressed ‘n’ Composable Integer Set). On synthetic and real data, we find that Roaring bitmaps (1) often compress significantly better (e.g., $2\times$) and (2) are faster than the compressed alternatives (up to $900\times$ faster for intersections). Our results challenge the view that RLE-based bitmap compression is best. ###### keywords: performance; measurement; index compression; bitmap index ## 1 Introduction A bitmap (or bitset) is a binary array that we can view as an efficient and compact representation of an integer set, $S$. Given a bitmap of $n$ bits, the $i^{\mathrm{th}}$ bit is set to one if the $i^{\mathrm{th}}$ integer in the range $[0,n-1]$ exists in the set. For example, the sets $\\{3,4,7\\}$ and $\\{4,5,7\\}$ might be stored in binary form as 10011000 and 10110000. We can compute the union or the intersection between two such corresponding lists using bitwise operations (OR, AND) on the bitmaps (e.g., 10111000 and 10010000 in our case). Bitmaps are part of the Java platform (java.util.BitSet). When the cardinality of $S$ is relatively large compared to the universe size, $n$ (e.g., $|S|>n/64$ on 64-bit processors), bitmaps are often superior to other comparable data structures such as arrays, hash sets or trees. However, on moderately low density bitmaps ($n/10000<|S|<n/64$), compressed bitmaps such as Concise can be preferable [1]. Most of the recently proposed compressed bitmap formats are derived from Oracle’s BBC [2] and use run-length encoding (RLE) for compression: WAH [3], Concise [1], EWAH [4], COMPAX [5], VLC [6], VAL-WAH [7], etc. Wu et al.’s WAH is probably the best known. WAH divides a bitmap of $n$ bits into $\left\lceil\frac{n}{w-1}\right\rceil$ words of $w-1$ bits, where $w$ is a convenient word length (e.g., $w=32$). WAH distinguishes between two types of words: words made of just $w-1$ ones (11$\cdots$1) or just $w-1$ zeros (00$\cdots$0), are _fill words_ , whereas words containing a mix of zeros and ones (e.g., 101110$\cdots$1) are _literal words_. Literal words are stored using $w$ bits: the most significant bit is set to zero and the remaining bits store the heterogeneous $w-1$ bits. Sequences of homogeneous fill words (all ones or all zeros) are also stored using $w$ bits: the most significant bit is set to 1, the second most significant bit indicates the bit value of the homogeneous word sequence, while the remaining $w-2$ bits store the run length of the homogeneous word sequence. When compressing a sparse bitmap, e.g., corresponding to the set $\\{0,2(w-1),4(w-1),\ldots\\}$, WAH can use $2w$ bits per set bit. Concise reduces this memory usage by half [1]. It uses a similar format except for coded fill words. Instead of storing the run length $r$ using $w-2$ bits, Concise uses only $w-2-\left\lceil\log_{2}(w)\right\rceil$ bits, setting aside $\left\lceil\log_{2}(w)\right\rceil$ bits as _position_ bits. These $\left\lceil\log_{2}(w)\right\rceil$ position bits encode a number $p\in[0,w)$. When $p=0$, we decode $r+1$ fill words. When it is non-zero, we decode $r$ fill words preceded by a word that has its $(p-1)^{\mathrm{th}}$ bit flipped compared to the following fill words. Consider the case where $w=32$. Concise can code the set $\\{0,62,124,\ldots\\}$ using only 32 bits/integer, in contrast to WAH which requires 64 bits/integer. Though they reduce memory usage, these formats derived from BBC have slow random access compared to an uncompressed bitmap. That is, checking or changing the $i^{\mathrm{th}}$ bit value is an $O(n)$-time operation. Thus, though they represent an integer set, we cannot quickly check whether an integer is in the set. This makes them unsuitable for some applications [8]. Moreover, RLE formats have a limited ability to quickly skip data. For example, suppose that we are computing the bitwise AND between two compressed bitmaps. If one bitmap has long runs of zeros, we might wish to skip over the corresponding words in the other bitmap. Without an auxiliary index, this might be impossible with formats like WAH and Concise. Instead of using RLE and sacrificing random access, we propose to partition the space $[0,n)$ into _chunks_ and to store dense and sparse chunks differently [9]. On this basis, we introduce a new bitmap compression scheme called _Roaring_. Roaring bitmaps store 32-bit integers in a compact and efficient two-level indexing data structure. Dense chunks are stored using bitmaps; sparse chunks use packed arrays of 16-bit integers. In our example ($\\{0,62,124,\ldots\\}$), it would use only $\approx 16$ bits/integer, half of Concise’s memory usage. Moreover, on the synthetic-data test proposed by Colantonio and Di Pietro [1], it is at least four times faster than WAH and Concise. In some instances, it can be hundreds of times faster. Our approach is reminiscent of O’Neil and O’Neil’s RIDBit external-memory system. RIDBit is a B-tree of bitmaps, where a list is used instead when a chunk’s density is too small. However RIDBit fared poorly compared to FastBit—a WAH-based system [10]: FastBit was up to $10\times$ faster. In contrast to the negative results of O’Neil et al., we find that Roaring bitmaps can be several times faster than WAH bitmaps for in-memory processing. Thus one of our main contributions is to challenge the belief—expressed by authors such as by Colantonio and Di Pietro [1]—that WAH bitmap compression is the most efficient alternative. A key ingredient in the performance of Roaring bitmaps are the new bit-count processor instructions (such as popcnt) that became available on desktop processors more recently (2008). Previously, table lookups were often used instead in systems like RIDBit [11], but they can be several times slower. These new instructions allow us to quickly compute the density of new chunks, and to efficiently extract the location of the set bits from a bitmap. To surpass RLE-based formats such as WAH and Concise, we also rely on several algorithmic strategies (see § 4). For example, when intersecting two sparse chunks, we may use an approach based on binary search instead of a linear-time merge like RIDBit. Also, when merging two chunks, we predict whether the result is dense or sparse to minimize wasteful conversions. In contrast, O’Neil et al. report that RIDBit converts chunks after computing them [11]. ## 2 Roaring bitmap We partition the range of 32-bit indexes ($[0,n)$) into chunks of $2^{16}$ integers sharing the same 16 most significant digits. We use specialized containers to store their 16 least significant bits. When a chunk contains no more than 4096 integers, we use a sorted array of packed 16-bit integers. When there are more than 4096 integers, we use a $2^{16}$-bit bitmap. Thus, we have two types of containers: an array container for _sparse_ chunks and a bitmap container for _dense_ chunks. The 4096 threshold insures that at the level of the containers, each integer uses no more than 16 bits: we either use $2^{16}$ bits for more than 4096 integers, using less than 16 bits/integer, or else we use exactly 16 bits/integer. The containers are stored in a dynamic array with the shared 16 most- significant bits: this serves as a first-level index. The array keeps the containers sorted by the 16 most-significant bits. We expect this first-level index to be typically small: when $n=$1\,000\,000$$, it contains at most 16 entries. Thus it should often remain in the CPU cache. The containers themselves should never use much more than 8 kB. To illustrate the data structure, consider the list of the first 1000 multiples of 62, all integers $[2^{16},2^{16}+100)$ and all even numbers in $[2\times 2^{16},3\times 2^{16})$. When encoding this list using the Concise format, we use one 32-bit fill word for each of the 1000 multiples of 62, we use two additional fill words to include the list of numbers between $2^{16}$ and $2^{16}+100$, and the even numbers in $[2\times 2^{16},3\times 2^{16})$ are stored as literal words. In the Roaring format, both the multiples of 62 and the integers in $[2^{16},2^{16}+100)$ are stored using an array container using 16-bit per integer. The even numbers in $[2\times 2^{16},3\times 2^{16})$ are stored in a $2^{16}$-bit bitmap container. See Fig. 1. Array of containers Most significant bits: 0x0000 Cardinality: 1000 062124186248310$\vdots$61 938array container Most significant bits: 0x0001 Cardinality: 100 012345$\vdots$99array container Most significant bits: 0x0002 Cardinality: $2^{15}$ 101010$\vdots$0bitmap container Figure 1: Roaring bitmap containing the list of the first 1000 multiples of 62, all integers $[2^{16},2^{16}+100)$ and all even numbers in $[2\times 2^{16},3\times 2^{16})$. Each Roaring container keeps track of its cardinality (number of integers) using a counter. Thus computing the cardinality of a Roaring bitmap can be done quickly: it suffices to sum at most $\left\lceil n/2^{16}\right\rceil$ counters. It also makes it possible to support rank and select queries faster than with a typical bitmap: rank queries count the number of set bits in a range $[0,i]$ whereas select queries seek the location of the $i^{\mathrm{th}}$ set bit. The overhead due to the containers and the dynamic array means that our memory usage can exceed 16 bits/integer. However, as long as the number of containers is small compared to the total number of integers, we should never use much more than 16 bits/integer. We assume that there are far fewer containers than integers. More precisely, we assume that the density typically exceeds $0.1\text{\,}\mathrm{\char 37\relax}$ or that $n/|S|>0.001$. When applications encounter integer sets with lower density (less than $0.1\text{\,}\mathrm{\char 37\relax}$), a bitmap is unlikely to be the proper data structure. The presented Roaring data layout is intentionally simple. Several variations are possible. For very dense bitmaps, when there are more than $2^{16}-4096$ integers per container, we could store the locations of the zero bits instead of a $2^{16}$-bit bitmap. Moreover, we could better compress sequences of consecutive integers. We leave the investigation of these possibilities as future work. ## 3 Access operations To check for the presence of a 32-bit integer $x$, we first seek the container corresponding to $x/2^{16}$, using binary search. If a bitmap container is found, we access the $(x\bmod{2^{16}})^{\mathrm{th}}$ bit. If an array container is found, we use a binary search again. We insert and remove an integer $x$ similarly. We first seek the corresponding container. When the container found is a bitmap, we set the value of the corresponding bit and update the cardinality accordingly. If we find an array container, we use a binary search followed by a linear-time insertion or deletion. When removing an integer, a bitmap container might become an array container if its cardinality reaches 4096. When adding an integer, an array container might become a bitmap container when its cardinality exceeds 4096. When this happens, a new container is created with the updated data while the old container is discarded. Converting an array container to a bitmap container is done by creating a new bitmap container initialized with zeros, and setting the corresponding bits. To convert a bitmap container to an array container, we extract the location of the set bits using an optimized algorithm (see Algorithm 2). ## 4 Logical operations We implemented various operations on Roaring bitmaps, including union (bitwise OR) and intersection (bitwise AND). A bitwise operation between two Roaring bitmaps consists of iterating and comparing the 16 high-bits integers (keys) on the first-level indexes. For better performance, we maintain sorted first- level arrays. Two keys are compared at each iteration. On equality, a second- level logical operation between the corresponding containers is performed. This always generates a new container. If the container is not empty, it is added to the result along with the common key. Then iterators positioned over the first-level arrays are incremented by one. When two keys are not equal, the array containing the smallest one is incremented by one position, and if a union is performed, the lowest key and a copy of the corresponding container are added to the answer. When computing unions, we repeat until the two first- level arrays are exhausted. And when computing intersections, we terminate as soon as one array is exhausted. Sorted first-level arrays allows first-level comparisons in $O(n_{1}+n_{2})$ time, where $n_{1}$ and $n_{2}$ are the respective lengths of the two compared arrays. We also maintain the array containers sorted for the same advantages. As containers can be represented with two different data structures, bitmaps and arrays, a logical union or intersection between two containers involves one of the three following scenarios: Bitmap vs Bitmap: We iterate over 1024 64-bit words. For unions, we perform 1024 bitwise ORs and write the result to a new bitmap container. See Algorithm 1. The resulting cardinality is computed efficiently in Java using the Long.bitCount method. Algorithm 1 Routine to compute the union of two bitmap containers. 1: input: two bitmaps $A$ and $B$ indexed as arrays of 1024 64-bit integers 2: output: a bitmap $C$ representing the union of $A$ and $B$, and its cardinality $c$ 3: $c\leftarrow 0$ 4: Let $C$ be indexed as an array of 1024 64-bit integers 5: for $i\in\\{1,2,\ldots,1024\\}$ do 6: $C_{i}\leftarrow A_{i}\mathrm{~{}OR~{}}B_{i}$ 7: $c\leftarrow c+\mathrm{bitCount}(C_{i})$ 8: return $C$ and $c$ It might seem like computing bitwise ORs and computing the cardinality of the result would be significantly slower than merely computing the bitwise ORs. However, four factors mitigate this potential problem. 1. 1. Popular processors (Intel, AMD, ARM) have fast instructions to compute the number of ones in a word. Intel and AMD’s popcnt instruction has a throughput as high as one operation per CPU cycle. 2. 2. Recent Java implementations translate a call to Long.bitCount into such fast instructions. 3. 3. Popular processors are superscalar: they can execute several operations at once. Thus, while we retrieve the next data elements, compute their bitwise OR and store it in memory, the processor can apply the popcnt instruction on the last result and increment the cardinality counter accordingly. 4. 4. For inexpensive data processing operations, the processor may not run at full capacity due to cache misses. On the Java platform we used for our experiments, we estimate that we can compute and write bitwise ORs at 700 million 64-bit words per second. If we further compute the cardinality of the result as we produce it, our estimated speed falls to about 500 million words per second. That is, we suffer a speed penalty of about $30\text{\,}\mathrm{\char 37\relax}$ because we maintain the cardinality. In contrast, competing methods like WAH and Concise must spend time to decode the word type before performing a single bitwise operation. These checks may cause expensive branch mispredictions or impair superscalar execution. For computing intersections, we use a less direct route. First, we compute the cardinality of the result, using 1024 bitwise AND instructions. If the cardinality is larger than 4096, then we proceed as with the union, writing the result of bitwise ANDs to a new bitmap container. Otherwise, we create a new array container. We extract the set bits from the bitwise ANDs on the fly, using Algorithm 2. See Algorithm 3. Algorithm 2 Optimized algorithm to convert the set bits in a bitmap into a list of integers. We assume two-complement’s arithmetic. The function bitCount returns the Hamming weight of the integer. 1: input: an integer $w$ 2: output: an array $S$ containing the indexes where a 1-bit can be found in $w$ 3: Let $S$ be an initially empty list 4: while $w\neq 0$ do 5: $t\leftarrow w\textrm{~{}AND~{}}-w$ (cf. [12, p. 12]) 6: append bitCount($t-1$) to $S$ 7: $w\leftarrow w\textrm{~{}AND~{}}(w-1)$ (cf. [12, p. 11]) 8: return $S$ Algorithm 3 Routine to compute the intersection of two bitmap containers. The function bitCount returns the Hamming weight of the integer. 1: input: two bitmaps $A$ and $B$ indexed as arrays of 1024 64-bit integers 2: output: a bitmap $C$ representing the intersection of $A$ and $B$, and its cardinality $c$ if $c>4096$ or an equivalent array of integers otherwise 3: $c\leftarrow 0$ 4: for $i\in\\{1,2,\ldots,1024\\}$ do 5: $c\leftarrow c+\mathrm{bitCount}(A_{i}\mathrm{~{}AND~{}}B_{i})$ 6: if $c>4096$ then 7: Let $C$ be indexed as an array of 1024 64-bit integers 8: for $i\in\\{1,2,\ldots,1024\\}$ do 9: $C_{i}\leftarrow A_{i}\mathrm{~{}AND~{}}B_{i}$ 10: return $C$ and $c$ 11: else 12: Let $D$ be an array of integers, initially empty 13: for $i\in\\{1,2,\ldots,1024\\}$ do 14: append the set bits in $A_{i}\mathrm{~{}AND~{}}B_{i}$ to $D$ using Algorithm 2 15: return $D$ Bitmap vs Array: When one of the two containers is a bitmap and the other one is a sorted dynamic array, the intersection can be computed very quickly: we iterate over the sorted dynamic array, and verify the existence of each 16-bit integer in the bitmap container. The result is written out to an array container. Unions are also efficient: we create a copy of the bitmap and simply iterate over the array, setting the corresponding bits. Array vs Array: For unions, if the sum of the cardinalities is no more than 4096, we use a merge algorithm between the two arrays. Otherwise, we set the bits corresponding to both arrays in a bitmap container. We then compute the cardinality using fast instructions. If the cardinality is no more than 4096, we convert the bitmap container to an array container (see Algorithm 2). For intersections, we use a simple merge (akin to what is done in merge sort) when the two arrays have cardinalities that differ by less than a factor of 64. Otherwise, we use galloping intersections [8]. The result is always written to a new array container. Galloping is superior to a simple merge when one array ($r$) is much smaller than other one ($f$) because it can skip many comparisons. Starting from the beginning of both arrays, we pick the next available integer $r_{i}$ from the small array $r$ and seek an integer at least as large $f_{j}$ in the large array $f$, looking first at the next value, then looking at a value twice as far, and so on. Then, we use binary search to advance in the second list to the first value larger or equal to $r_{i}$. We can also execute some of these operations _in place_ : * • When computing the union between two bitmap containers, we can modify one of the two bitmap containers instead of generating a new bitmap container. Similarly, for the intersection between two bitmap containers, we can modify one of the two containers if the cardinality of the result exceeds 4096. * • When computing the union between an array and a bitmap container, we can write the result to the bitmap container, by iterating over the values of the array container and setting the corresponding bits in the bitmap container. We can update the cardinality each time by checking whether the word value has been modified. In-place operations can be faster because they avoid allocating and initializing new memory areas. When aggregating many bitmaps, we use other optimizations. For example, when computing the union of many bitmaps (e.g., hundreds), we first locate all containers having the same key (using a priority queue). If one such container is a bitmap container, then we can clone this bitmap container (if needed) and compute the union of this container with all corresponding containers in- place. In this instance, the computation of the cardinality can be done once at the end. See Algorithm 4. Algorithm 4 Optimized algorithm to compute the union of many roaring bitmaps 1: input: a set $R$ of Roaring bitmaps as collections of containers; each container has a cardinality and a 16-bit key 2: output: a new Roaring bitmap $T$ representing the union 3: Let $T$ be an initially empty Roaring bitmap. 4: Let $P$ be the min-heap of containers in the bitmaps of $R$, configured to order the containers by their 16-bit keys. 5: while $P$ is not empty do 6: Let $x$ be the root element of $P$. Remove from the min-heap $P$ all elements having the same key as $x$, and call the result $Q$. 7: Sort $Q$ by descending cardinality; $Q_{1}$ has maximal cardinality. 8: Clone $Q_{1}$ and call the result $A$. The container $A$ might be an array or bitmap container. 9: for $i\in\\{2,\ldots,|Q|\\}$ do 10: if $A$ is a bitmap container then 11: Compute the in-place union of $A$ with $Q_{i}$: $A\leftarrow A\mathrm{~{}OR~{}}Q_{i}$. Do not re-compute the cardinality of $A$: just compute the bitwise-OR operations. 12: else 13: Compute the union of the array container $A$ with the array container $Q_{i}$: $A\leftarrow A\mathrm{~{}OR~{}}Q_{i}$. If $A$ exceeds a cardinality of 4096, then it becomes a bitmap container. 14: If $A$ is a bitmap container, update $A$ by computing its actual cardinality. 15: Add $A$ to the output of Roaring bitmap $T$. 16: return $T$ (a) Compression: uniform distribution (b) Compression: $\mathrm{Beta(0.5,1)}$ distribution (c) Intersection: discretized $\mathrm{Beta(0.5,1)}$ distribution (d) Union: discretized $\mathrm{Beta(0.5,1)}$ distribution (e) Append: uniform distribution (f) Removal: uniform distribution Figure 2: Times and compression measurements: average of 100 runs ## 5 Experiments We performed a series of experiments to compare the time-space performance of Roaring bitmaps with the performance of other well-known bitmap indexing schemes: Java’s BitSet, WAH and Concise. We use the CONCISE Java library for WAH and Concise (version 2.2) made available by Colantonio and Di Pietro [1]. Our Roaring-bitmap implementation code and data is freely available at http://roaringbitmap.org/. Our software has been thoroughly tested: our Java library has been adopted by major database systems like Apache Spark [13] and Druid [14]. Benchmarks were performed on an AMD FX™-8150 eight-core processor running at 3.60 GHz and having 16 GB of RAM. We used the Oracle Server JVM version 1.7 on Linux Ubuntu 12.04.1 LTS. All our experiments run entirely in memory. To account for the just-in-time compiler in Java, we first run tests without recording the timings. Then we repeat the tests several times and report an average. ### 5.1 Synthetic experiments We began by reproducing Colantonio and Di Pietro’s synthetic experiments [1]. However, while they included alternative data structures such as Java’s HashSet, we focus solely on bitmap formats for simplicity. Our results are generally consistent with Colantonio and Di Pietro’s results, given the fact that we have a better processor. Data sets of $10^{5}$ integers were generated according to two synthetic data distributions: uniform and discretized $\mathrm{Beta(0.5,1)}$ distributions. (Colantonio and Di Pietro described the latter as a _Zipfian_ distribution.) The four schemes were compared on several densities $d$ varying from $2^{-10}$ to $0.5$. To generate an integer, we first picked a floating-point number $y$ pseudo-randomly in $[0,1)$. When we desired a uniform distribution, we added $\left\lfloor y\times\textrm{max}\right\rfloor$ to the set. In the $\beta$-distributed case, we added $\left\lfloor y^{2}\times\textrm{max}\right\rfloor$. The value max represents the ratio between the total number of integers to generate and the desired density ($d$) of the set, i.e.: $\textrm{max}=10^{5}/d$. Because results on uniform and $\mathrm{Beta(0.5,1)}$ distributions are often similar, we do not systematically present both. We stress that our data distributions and benchmark closely follow Colantonio and Di Pietro’s work [1]. Since they used this benchmark to show the superiority of Concise over WAH, we feel that it is fair to use their own benchmark to assess our own proposal against Concise. Figs. 2a and 2b show the average number of bits used by Java’s BitSet and the three bitmap compression techniques to store an integer in a set. In these tests, Roaring bitmaps require $50\text{\,}\mathrm{\char 37\relax}$ of the space consumed by Concise and $25\text{\,}\mathrm{\char 37\relax}$ of WAH space on sparse bitmaps. The BitSet class uses slightly more memory even for dense bitmaps in our tests. This is due to its memory allocation strategy that doubles the size of the underlying array whenever more storage is required. We could recover this wasted memory by cloning the newly constructed bitmaps. Our roaring bitmap implementation has a trim method that can be used to get the same result. We did not call these methods in these tests. We also report on intersection and union times. That is, we take two bitmaps and generate a new bitmap representing the intersection or union. For the BitSet, it means that we first need to create a copy (using the clone method), since bitwise operations are in-place. Figs. 2c and 2d present the average time in nanoseconds to perform intersections and unions between two sets of integers. Roaring bitmaps are $\times 4-\times 5$ times faster than Concise and WAH for intersections on all tested densities. Results for unions are similar except that for moderate densities ($2^{-5}\leq d\leq 2^{-4}$), Roaring is only moderately ($30\text{\,}\mathrm{\char 37\relax}$) faster than Concise and WAH. BitSet outperforms the other schemes on dense data, but it is $>10\times$ slower on sparse bitmaps. We measured times required by each scheme to add a single element $a$ to a sorted set $S$ of integers, i.e.: $\forall i\in S:a>i$. Fig. 2e shows that Roaring requires less time than WAH and Concise. Moreover, WAH and Concise do not support the efficient insertion of values in random order, unlike Roaring bitmaps. Finally, we measured the time needed to remove one randomly selected element from an integers set (Fig. 2f). We observe that Roaring bitmaps have much better results than the two other compressed formats. ### 5.2 Real-data experiments Tables 1–2 present results for the five real data sets used an earlier study of compressed bitmap indexes [15]. There are only two exceptions: * • We only use the September 1985 data for the Weather data set (an approach others have used before [16]), which was otherwise too large for our test environment. * • We omitted the Census2000 data set because it contains only bitmaps having an average cardinality of 30 over a large universe ($n=$37\,019\,068$$). It is an ill-suited scenario for bitmaps. Because of the structure overhead, Roaring bitmaps used $4\times$ as much memory as Concise bitmaps. Still, Roaring bitmaps were about $4\times$ faster when computing intersections. The data sets were taken as-is: we did not sort them prior to indexing. For each data set, a bitmap index was built. Then we chose 200 bitmaps from the index, using an approach similar to stratified sampling to control for the large range of attribute cardinalities. We first sampled 200 attributes, with replacement. For each sampled attribute, we selected one of its bitmaps uniformly at random. The 200 bitmaps were used as 100 pairs of inputs for 100 pairwise ANDs and ORs; Tables 2b–2c show the time factor increase if Roaring is replaced by BitSet, WAH or Concise. (Values below 1.0 indicate cases where Roaring was slower.) Table 2a shows the storage factor increase when Roaring is replaced by one of the other approaches. Table 1: Sampled bitmap characteristics and Roaring size. | Census1881 | CensusIncome | Wikileaks | Weather ---|---|---|---|--- Rows | $4\,277\,807$ | $199\,523$ | $1\,178\,559$ | $1\,015\,367$ Density | $1.2\text{\times}{10}^{-3}$ | $1.7\text{\times}{10}^{-1}$ | $1.3\text{\times}{10}^{-3}$ | $6.4\text{\times}{10}^{-2}$ Bits/Item | $18.7$ | $2.92$ | $22.3$ | $5.83$ Table 2: Results on real data | Census1881 | CensusIncome | Wikileaks | Weather ---|---|---|---|--- Concise | $2.21$ | $1.38$ | $0.79$ | $1.38$ WAH | $2.43$ | $1.63$ | $0.79$ | $1.51$ BitSet | $41.50$ | $2.89$ | $55.45$ | $3.49$ (a) Size expansion if Roaring is replaced with other schemes. | Census1881 | CensusIncome | Wikileaks | Weather ---|---|---|---|--- Concise | $921.81$ | $6.58$ | $8.30$ | $6.26$ WAH | $841.08$ | $5.89$ | $8.16$ | $5.40$ BitSet | $733.85$ | $0.42$ | $27.91$ | $0.64$ (b) Time increase, for AND, if Roaring is replaced with other schemes. | Census1881 | CensusIncome | Wikileaks | Weather ---|---|---|---|--- Concise | $33.80$ | $5.41$ | $2.14$ | $3.87$ WAH | $30.58$ | $4.85$ | $2.06$ | $3.39$ BitSet | $28.73$ | $0.43$ | $6.72$ | $0.48$ (c) Time increases, for OR, if Roaring is replaced with other schemes. Roaring bitmaps are always faster, on average, than WAH and Concise. On two data sets (Census1881 and Wikileaks), Roaring bitmaps are faster than BitSet while using much less memory ($40\times$ less). On the two other data sets, BitSet is more than twice as fast as Roaring, but it also uses three times as much memory. When comparing the speed of BitSet and Roaring, consider that Roaring pre-computes the cardinality at a chunk level. Thus if we need the cardinality of the aggregated bitmaps, Roaring has the advantage. On the Wikileaks data set, Concise and WAH offer better compression than Roaring (by about $30\text{\,}\mathrm{\char 37\relax}$). This is due to the presence of long runs of ones (11$\cdots$1 fill words), which Roaring does not compress. Results on the Census1881 data set are striking: Roaring is up to $900\times$ faster than the alternatives. This is due to the large differences in the cardinalities of the bitmaps. When intersecting a sparse bitmap with a dense one, Roaring is particularly efficient. ## 6 Conclusion In this paper, we introduced a new bitmap compression scheme called Roaring. It stores bitmap set entries as 32-bit integers in a space-efficient two-level index. In comparison with two competitive bitmap compression schemes, WAH and Concise, Roaring often uses less memory and is faster. When the data is ordered such that the bitmaps need to store long runs of consecutive values (e.g., on the Wikileaks set), alternatives such as Concise or WAH may offer better compression ratios. However, even in these instances, Roaring might be faster. In future work, we will consider improving the performance and compression ratios further. We might add new types of containers. In particular, we might make use of fast packing techniques to optimize the storage use of the array containers [17]. We could make use of SIMD instructions in our algorithms [18, 19, 20]. We should also review other operations beside intersections and unions, such as threshold queries [21]. We plan to investigate further applications in information retrieval. There are reasons to be optimistic: Apache Lucene (as of version 5.0) has adopted a Roaring format [22] to compress document identifiers. ## References * [1] Colantonio A, Di Pietro R. Concise: Compressed ’n’ Composable Integer Set. _Information Processing Letters_ 2010; 110(16):644–650, 10.1016/j.ipl.2010.05.018. * [2] Antoshenkov G. Byte-aligned bitmap compression. _DCC’95_ , IEEE Computer Society: Washington, DC, USA, 1995; 476. * [3] Wu K, Stockinger K, Shoshani A. Breaking the curse of cardinality on bitmap indexes. _SSDBM’08_ , Springer: Berlin, Heidelberg, 2008; 348–365. * [4] Lemire D, Kaser O, Aouiche K. Sorting improves word-aligned bitmap indexes. _Data & Knowledge Engineering_ 2010; 69(1):3–28, 10.1016/j.datak.2009.08.006. * [5] Fusco F, Stoecklin MP, Vlachos M. NET-FLi: On-the-fly compression, archiving and indexing of streaming network traffic. _Proceedings of the VLDB Endowment_ 2010; 3(2):1382–1393, 10.14778/1920841.1921011. * [6] Corrales F, Chiu D, Sawin J. Variable length compression for bitmap indices. _DEXA’11_ , Springer-Verlag: Berlin, Heidelberg, 2011; 381–395. * [7] Guzun G, Canahuate G, Chiu D, Sawin J. A tunable compression framework for bitmap indices. _ICDE’14_ , IEEE, 2014; 484–495. * [8] Culpepper JS, Moffat A. Efficient set intersection for inverted indexing. _ACM T. Inform. Syst._ Dec 2010; 29(1):1:1–1:25, 10.1145/1877766.1877767. * [9] Kaser O, Lemire D. Attribute value reordering for efficient hybrid OLAP. _Inform. Sciences_ 2006; 176(16):2304–2336. * [10] O’Neil E, O’Neil P, Wu K. Bitmap index design choices and their performance implications. _IDEAS’07_ , IEEE, 2007; 72–84. * [11] Rinfret D, O’Neil P, O’Neil E. Bit-sliced index arithmetic. _Proceedings of the 2001 ACM SIGMOD International Conference on Management of Data_ , SIGMOD ’01, ACM: New York, NY, USA, 2001; 47–57, 10.1145/375663.375669. * [12] Warren HS Jr. _Hacker’s Delight_. 2nd ed. edn., Addison-Wesley: Boston, 2013\. * [13] Zaharia M, Chowdhury M, Franklin MJ, Shenker S, Stoica I. Spark: Cluster computing with working sets. _Proceedings of the 2nd USENIX Conference on Hot Topics in Cloud Computing_ , HotCloud’10, USENIX Association: Berkeley, CA, USA, 2010; 10–10. * [14] Yang F, Tschetter E, Léauté X, Ray N, Merlino G, Ganguli D. Druid: A real-time analytical data store. _Proceedings of the 2014 ACM SIGMOD International Conference on Management of Data_ , SIGMOD ’14, ACM: New York, NY, USA, 2014; 157–168, 10.1145/2588555.2595631. * [15] Lemire D, Kaser O, Gutarra E. Reordering rows for better compression: Beyond the lexicographical order. _ACM Transactions on Database Systems_ 2012; 37(3), 10.1145/2338626.2338633. Article 20. * [16] Beyer K, Ramakrishnan R. Bottom-up computation of sparse and iceberg CUBEs. _SIGMOD Record_ 1999; 28(2):359–370, 10.1145/304181.304214. * [17] Lemire D, Boytsov L. Decoding billions of integers per second through vectorization. _Software: Practice and Experience_ 2015; 45(1), 10.1002/spe.2203. * [18] Polychroniou O, Ross KA. Vectorized bloom filters for advanced simd processors. _Proceedings of the Tenth International Workshop on Data Management on New Hardware_ , DaMoN ’14, ACM: New York, NY, USA, 2014; 1–6, 10.1145/2619228.2619234. * [19] Lemire D, Boytsov L, Kurz N. SIMD compression and the intersection of sorted integers. http://arxiv.org/abs/1401.6399 [last checked March 2015] 2014\. * [20] Inoue H, Ohara M, Taura K. Faster set intersection with SIMD instructions by reducing branch mispredictions. _Proceedings of the VLDB Endowment_ 2014; 8(3). * [21] Kaser O, Lemire D. Compressed bitmap indexes: beyond unions and intersections. _Software: Practice and Experience_ 2014; 10.1002/spe.2289. In Press. * [22] Grand A. LUCENE-5983: RoaringDocIdSet. https://issues.apache.org/jira/browse/LUCENE-5983 [last checked March 2015] 2014.
arxiv-papers
2014-02-26T04:38:22
2024-09-04T02:49:58.934668
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/4.0/", "authors": "Samy Chambi, Daniel Lemire, Owen Kaser, Robert Godin", "submitter": "Daniel Lemire", "url": "https://arxiv.org/abs/1402.6407" }
1402.6557
7892014201401XXXYY 11institutetext: Leibniz-Institut für Astrophysik, An der Sternwarte 16, D-14482 Potsdam, Germany later # Mean-field dynamos: the old concept and some recent developments K.-H. Rädler [email protected] (XX January 2014; YY ZZZ 2014) ###### Abstract This article reproduces the Karl Schwarzschild lecture 2013. Some of the basic ideas of electrodynamics and magnetohydrodynamics of mean fields in turbulently moving conducting fluids are explained. It is stressed that the connection of the mean electromotive force with the mean magnetic field and its first spatial derivatives is in general neither local nor instantaneous and that quite a few claims concerning pretended failures of the mean-field concept result from ignoring this aspect. In addition to the mean-field dynamo mechanisms of $\alpha^{2}$ and $\alpha\Omega$ type several others are considered. Much progress in mean-field electrodynamics and magnetohydrodynamics results from the test-field method for calculating the coefficients that determine the connection of the mean electromotive force with the mean magnetic field. As an important example the memory effect in homogeneous isotropic turbulence is explained. In magnetohydrodynamic turbulence there is the possibility of a mean electromotive force that is primarily independent of the mean magnetic field and labeled as Yoshizawa effect. Despite of many efforts there is so far no convincing comprehensive theory of $\alpha$ quenching, that is, the reduction of the $\alpha$ effect with growing mean magnetic field, and of the saturation of mean-field dynamos. Steps toward such a theory are explained. Finally, some remarks on laboratory experiments with dynamos are made. ###### keywords: Cosmic magnetic fields – mean-field electrodynamics – mean-field magnetohydrodynamics – mean-field dynamos ## 1 Introduction At the beginning of the last century mankind knew the magnetic field of the Earth, but nothing about magnetic fields at other celestial bodies. In 1908 George Ellery Hale proposed to interpret line splittings in the spectrum of the light coming from sunspots, which were not understood at this time, as a consequence of strong magnetic fields (of a few kilogauss) within them. Eleven years later, in 1919, Sir Joseph Larmor came up with the idea that magnetic fields at the Sun could be generated by self-exciting dynamos just as introduced in engineering for instance by Ernst Werner von Siemens in 1867 111The idea of the self-exciting dynamo has been stated several years before by Anyos Jedlik, by Søren Hjorth and by Samuel Alfred Varley, in 1867 also by Charles Wheatstone. Von Siemens is known for having recognized the practical importance of the dynamo principle.. Of course, Larmor’s proposal was not readily accepted and there were many attempts to check it or to rule it out. A dynamo in a homogeneous fluid is quite different from its technical version built up with insolated wires. More mathematically spoken, a dynamo working in a singly-connected conducting region is different from that in a multiply- connected region. In 1934 Thomas George Cowling proved a theorem which we may now (after some generalizations) formulate by saying that a dynamo can never work with an axisymmetric magnetic field. Another important theorem traces back to investigations by Walter M. Elsasser in 1946 and by Edward C. Bullard and H. Gellman in 1954 and excludes a dynamo in a sphere due to motions without radial components. Quite a few modifications of such theorems have been proven in the course of time showing the impossibility of dynamos with some simple geometrical structures of the magnetic field or the fluid flow. In 1947 Horace W. Babcock discovered a star with a strong magnetic field (of 34 kilogauss), and in 1958 he published a catalogue of magnetic stars. Later we learned about a large number of various objects which exhibit magnetic fields, including galaxies with rather weak but very extended fields (of the order of $10^{-5}$ gauss) or neutron stars with extremely strong ones (up to the order of $10^{15}$ gauss). A rigorous existence proof for a homogeneous dynamo has been delivered by A. Herzenberg in 1958. The velocity distribution he assumed was, however, far away from from that expected in the Earth’s interior, in the Sun or in stars. Already before Herzenberg’s proof, 1955 and 1957, Eugene N. Parker designed a model for the Sun in which “cyclonic convection” together with rotational shear, that is differential rotation, produce a magnetic cycle. In 1964 Stanislaus I. Braginsky published his model of the “nearly symmetric dynamo” which reflects features of the Earth’s magnetic field. In the early sixties Max Steenbeck in Jena pushed Fritz Krause and myself to think about the question of how the Sun or the Earth could generate their magnetic fields. Many conceivable mechanisms were discussed and investigated in the course of time. At the end the mean-field electrodynamics of electrically conducting turbulently moving fluids was established. A central issue of this theory is the $\alpha$ effect, the occurrence of an electromotive force with a part parallel (or antiparallel) to the mean magnetic field as a consequence of induction processes caused by irregular motions. The $\alpha$ effect allows dynamo action. The first paper on this topic has been published by Steenbeck, Krause and Rädler in 1966 (unfortunately only in German language). Since then mean-field electrodynamics and, more general, mean-field magnetohydrodynamics have been elaborated in great detail and dynamo models have been proposed for the Sun, planets, several types of stars and for galaxies. In this lecture I would like to explain a few results of this research field. (For comprehensive presentations see, e.g., Moffatt 1978, Krause and Rädler 1980 or Brandenburg and Subramanian 2005.) Before doing so, however, I would like to say: It is a great honor for me to receive the Karl Schwarzschild Medal. I am very grateful to the Board of the Astronomische Gesellschaft for this distinction. It is also a great honor to deliver this Schwarzschild lecture. Let me start with a few remarks about Max Steenbeck (1904-81) and the place, Jena, where mean-field electrodynamics was born. Max Steenbeck was no geo- or astrophysicist. He was one of the great pioneers of plasma physics, worked until the end of the Second World War in the Siemens Company in Berlin, dealt there with heavy current technology, for example rectifiers, constructed the first working betatron etc. At the end of the war he has been interned in the Soviet Union. He spent there (involuntarily) eleven years, dealing in particular with the separation of Uranium isotopes in the framework of the Soviet Atomic program. After his return to the G.D.R. he dealt there with magnetic materials, with nuclear power stations, and in 1959 he established the Institute for Magnetohydrodynamics in Jena with the idea to deliver contributions to nuclear fusion research, which looked at that time very promising. Sometimes, on his frequent rides between Jena and occasionally on Saturdays and Sundays, he thought about possibilities of processes in the Sun or in the Earth’s interior that might produce the observed magnetic fields, and then attacked Fritz Krause and me with his ideas. Since the Institute for Magnetohydrodynamics was not a place with astrophysical or geophysical tradition there was, at least at the beginning, no contact to leading scientists in these fields. ## 2 Mean-field electrodynamics ### 2.1 The basic idea In what follows we deal with electromagnetic processes in an electrically conducting moving fluid. Adopting the magnetohydrodynamic approximation we assume that the electromagnetic fields obey the pre-Maxwell equations ${\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$E$}}=-\partial_{t}{\mbox{\boldmath$B$}}\,,\quad{\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$B$}}=\mu{\mbox{\boldmath$J$}}\,,\quad{\mbox{\boldmath$\nabla$}}\cdot{\mbox{\boldmath$B$}}=0$ (1) and Ohm’s law for moving matter in the form ${\mbox{\boldmath$J$}}=\sigma({\mbox{\boldmath$E$}}+{\mbox{\boldmath$U$}}\times{\mbox{\boldmath$B$}})\,.$ (2) As usual, $E$ denotes the electric field, $B$ the magnetic field, $J$ the electric current density, and $U$ the fluid velocity; further $\mu$ means the magnetic permeability of free space and $\sigma$ the electric conductivity of the fluid. From (1) and (2) we may derive the induction equation $\eta{\mbox{\boldmath$\nabla$}}^{2}{\mbox{\boldmath$B$}}+{\mbox{\boldmath$\nabla$}}\times({\mbox{\boldmath$U$}}\times{\mbox{\boldmath$B$}})-\partial_{t}{\mbox{\boldmath$B$}}={\bf 0}\,,\quad{\mbox{\boldmath$\nabla$}}\cdot{\mbox{\boldmath$B$}}=0\,,$ (3) with $\eta=1/\mu\sigma$ being the magnetic diffusivity. For simplicity we ignore here any electromotive force independent of electromagnetic fields, which would act as a battery. Until further notice we consider the fluid velocity $U$ as given. If the induction equation is solved and so the magnetic field $B$ is known, we may calculate the electric field $E$ and the electric current density $J$ without further integrations. Thinking of the situation in many astrophysical objects, we assume further that the fluid velocity $U$ and so also the electromagnetic fields $B$, $E$ and $J$ show irregular fluctuations in space and time. Considering these fluctuations we simply speak of turbulence (without having a specific definition of turbulence in mind). We then focus attention on mean fields defined as averages of these fields and showing simpler dependencies on space and time coordinates. Space or time or statistical averages or combinations of them are admitted. It is merely important that the Reynolds averaging rules, already known from hydrodynamic turbulence theory, are (exactly or approximately) satisfied. We denote averages by overbars. Let $F$ and $G$ be quantities showing irregular behavior, that is fluctuations, and put $F=\overline{F}+f$ and $G=\overline{G}+g$. Then these rules read $\displaystyle\overline{F+G}=\overline{F}+\overline{G}$ (4) $\displaystyle\overline{\overline{F}}=\overline{F}\;\mbox{or, what is equivalent,}\;\overline{f}=0$ (5) $\displaystyle\overline{F\,G}=\overline{F}\,\overline{G}+\overline{f\,g}$ (6) $\displaystyle\overline{\partial F/\partial x}=\partial\overline{F}/\partial x\,,\quad\overline{\partial F/\partial t}=\partial\overline{F}/\partial t\,.$ (7) We stress that the average of the product of two fluctuating quantities is not equal to the product of the corresponding mean quantities, but there is an additional term determined by the fluctuations. Returning to electrodynamics we subject equations (1) and (2) to averaging. We find then their mean-field versions ${\mbox{\boldmath$\nabla$}}\times\overline{{\mbox{\boldmath$E$}}}=-\partial_{t}\overline{{\mbox{\boldmath$B$}}}\,,\quad{\mbox{\boldmath$\nabla$}}\times\overline{{\mbox{\boldmath$B$}}}=\mu\overline{{\mbox{\boldmath$J$}}}\,,\quad{\mbox{\boldmath$\nabla$}}\cdot\overline{{\mbox{\boldmath$B$}}}=0$ (8) and $\overline{{\mbox{\boldmath$J$}}}=\sigma(\overline{{\mbox{\boldmath$E$}}}+\overline{{\mbox{\boldmath$U$}}}\times\overline{{\mbox{\boldmath$B$}}}+{\mbox{\boldmath$\cal{E}$}})\,.$ (9) When averaging (3) in the same way we obtain $\displaystyle\\!\\!\\!\\!\eta{\mbox{\boldmath$\nabla$}}^{2}\overline{{\mbox{\boldmath$B$}}}+{\mbox{\boldmath$\nabla$}}\times(\overline{{\mbox{\boldmath$U$}}}\times\overline{{\mbox{\boldmath$B$}}}+{\mbox{\boldmath$\cal{E}$}})-\partial_{t}\overline{{\mbox{\boldmath$B$}}}$ $\displaystyle={\bf 0}\,,$ (10) $\displaystyle\qquad\qquad\qquad\qquad\qquad{\mbox{\boldmath$\nabla$}}\cdot\overline{{\mbox{\boldmath$B$}}}$ $\displaystyle=0\,.$ $\cal{E}$ is the mean electromotive force due to the fluctuations of the fluid velocity and the magnetic field, ${\mbox{\boldmath$u$}}={\mbox{\boldmath$U$}}-\overline{{\mbox{\boldmath$U$}}}$ and ${\mbox{\boldmath$b$}}={\mbox{\boldmath$B$}}-\overline{{\mbox{\boldmath$B$}}}$, that is, ${\mbox{\boldmath$\cal{E}$}}=\overline{{\mbox{\boldmath$u$}}\times{\mbox{\boldmath$b$}}}\,.$ (11) The form of the equations (8) - (10) agrees widely with that of the original, not averaged equations (1) - (3). The only, but decisive deviation consists in the occurrence of the new electromotive force $\cal{E}$. The crucial point in the elaboration of mean-field electrodynamics is the determination of that mean electromotive force $\cal{E}$. We first consider $u$ as given. As for $b$ we may derive from (3) and (10) that $\displaystyle\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\eta{\mbox{\boldmath$\nabla$}}^{2}{\mbox{\boldmath$b$}}+{\mbox{\boldmath$\nabla$}}\times(\overline{{\mbox{\boldmath$U$}}}\times{\mbox{\boldmath$b$}}+{\mbox{\boldmath$\epsilon$}})-\partial_{t}{\mbox{\boldmath$b$}}=-{\mbox{\boldmath$\nabla$}}\times({\mbox{\boldmath$u$}}\times\overline{{\mbox{\boldmath$B$}}})$ $\displaystyle\qquad\qquad{\mbox{\boldmath$\epsilon$}}={\mbox{\boldmath$u$}}\times{\mbox{\boldmath$b$}}-\overline{{\mbox{\boldmath$u$}}\times{\mbox{\boldmath$b$}}}\,,\quad{\mbox{\boldmath$\nabla$}}\cdot{\mbox{\boldmath$b$}}=0\,.$ (12) Clearly $\epsilon$ is the fluctuating part of ${\mbox{\boldmath$u$}}\times{\mbox{\boldmath$b$}}$. Equation (12) tells us that $b$ is a functional of $u$, $\overline{{\mbox{\boldmath$U$}}}$ and $\overline{{\mbox{\boldmath$B$}}}$, which is linear (not necessarily linear and homogeneous) in $\overline{{\mbox{\boldmath$B$}}}$. Consequently, $\cal{E}$ depends also on these quantities and may be represented as a sum ${\mbox{\boldmath$\cal{E}$}}={\mbox{\boldmath$\cal{E}$}}^{(0)}+{\mbox{\boldmath$\cal{E}$}}^{(B)}$ (13) of a part ${\mbox{\boldmath$\cal{E}$}}^{(0)}$ independent of $\overline{{\mbox{\boldmath$B$}}}$ and another part ${\mbox{\boldmath$\cal{E}$}}^{(B)}$ which is is linear and homogeneous in $\overline{{\mbox{\boldmath$B$}}}$. Let us assume here that $b$ decays to zero if $\overline{{\mbox{\boldmath$B$}}}$ vanishes. This implies also the absence of small-scale dynamos (see section 2.4). Under this assumption ${\mbox{\boldmath$\cal{E}$}}^{(0)}$ decays to zero, too. As a result, $\cal{E}$ agrees with ${\mbox{\boldmath$\cal{E}$}}^{(B)}$ and it must allow a representation in the form of the convolution $\\!{\cal{E}}_{i}({\mbox{\boldmath$x$}},t)=\\!\\!\int_{0}^{\infty}\\!\\!\\!\\!\int_{\infty}\\!\\!\\!\\!{\cal K}_{ij}({\mbox{\boldmath$x$}},t;{\mbox{\boldmath$\xi$}},\tau)\overline{B}_{j}({\mbox{\boldmath$x$}}+{\mbox{\boldmath$\xi$}},t-\tau)\,\mbox{d}^{3}\xi\,\mbox{d}\tau$ (14) with some tensorial kernel ${\cal K}_{ij}$, which depends on $u$ and $\overline{{\mbox{\boldmath$U$}}}$. We know the explicit dependence of ${\cal K}_{ij}$ on $u$ and $\overline{{\mbox{\boldmath$U$}}}$ only for very special cases, but conclude from the turbulent nature of the velocity fluctuations that ${\cal K}_{ij}$ vanishes for sufficiently large $|{\mbox{\boldmath$\xi$}}|$ and $\tau$. As a consequence, $\cal{E}$ in a given point in space and time depends only on the behavior of $\overline{{\mbox{\boldmath$B$}}}$ in a certain surroundings of this point, the extent of which is determined by the correlation length and the correlation time of $u$. It is appropriate to split the kernel ${\cal K}_{ij}$ in (14) into two parts, one symmetric and the other one antisymmetric in $\xi$, and to express the last one by a derivative of a tensor symmetric in $\xi$. Doing so and subjecting then (14) to an integration by parts we arrive easily at the equivalent representation $\displaystyle\\!\\!\\!\\!{\cal{E}}_{i}({\mbox{\boldmath$x$}},t)$ $\displaystyle=\int_{0}^{\infty}\\!\\!\\!\int_{\infty}\\!\\!\Big{(}{\cal A}_{ij}({\mbox{\boldmath$x$}},t;{\mbox{\boldmath$\xi$}},\tau)\overline{B}_{j}({\mbox{\boldmath$x$}}+{\mbox{\boldmath$\xi$}},t-\tau)$ (15) $\displaystyle\;+{\cal B}_{ijk}({\mbox{\boldmath$x$}},t;{\mbox{\boldmath$\xi$}},\tau)\frac{\partial\overline{B}_{j}({\mbox{\boldmath$x$}}+{\mbox{\boldmath$\xi$}},t-\tau)}{\partial x_{k}}\Big{)}\mbox{d}^{3}\xi\mbox{d}\tau$ with two tensors ${\cal A}_{ij}$ and ${\cal B}_{ijk}$ which are both symmetric in $\xi$. Assume for a moment that $\overline{{\mbox{\boldmath$B$}}}$ varies only weakly in space and time, that is, there are distinct gaps in the spectra of the length and time scales of the total magnetic field, $\overline{{\mbox{\boldmath$B$}}}+{\mbox{\boldmath$b$}}$, separating large and small scales. We speak then of ideal scale separation. In this case relation (15) turns into a simpler one, ${\cal{E}}_{i}=a_{ij}\overline{B}_{j}+b_{ijk}\frac{\partial\overline{B}_{j}}{\partial x_{k}}$ (16) with $a_{ij}=\int_{0}^{\infty}\\!\\!\int_{\infty}\\!\\!{\cal A}_{ij}({\mbox{\boldmath$x$}},t;{\mbox{\boldmath$\xi$}},\tau)\,\mbox{d}^{3}\xi\,\mbox{d}\tau$ (17) and an analogous connection between $b_{ijk}$ and ${\cal B}_{ijk}$. While relation (15) connects $\cal{E}$ at a given point in space and time with $\overline{{\mbox{\boldmath$B$}}}$ in an arbitrary spatial surroundings of this point and at this time and arbitrary past times, relation (16) describes a local and instantaneous connection of $\cal{E}$ with $\overline{{\mbox{\boldmath$B$}}}$ and its first spatial derivatives. The latter relation, which has to be understood as application of the former one to idealized cases, explains a large number of phenomena in turbulent fluids, in particular some types of dynamos. It is, however, unable to capture, e.g., memory effects, that is, the dependence of the evolution of a mean field not only on its current values but also on its history (see section 2.6). In what follows we will, as long as it is appropriate, refer to (16) but switch to (15) where necessary. We want to stress that many statements on pretended failures of mean-field electrodynamics or on allegedly narrow limits of its applicability result from ignoring (15) and considering instead (16) as the most general relation for the mean electromotive force $\cal{E}$. Let us finally mention the technical issue that convolutions like (15) turn under a proper Fourier transformation (or, concerning the time, also a Laplace transformation) into simpler algebraic relations. Ignore for simplicity any dependence of ${\cal A}_{ij}$ and ${\cal B}_{ijl}$ on $x$ and $t$. With a transformation $\displaystyle F({\mbox{\boldmath$x$}},t)$ $\displaystyle=(2\pi)^{-4}\int\\!\\!\int\hat{F}({\mbox{\boldmath$k$}},\omega)$ (18) $\displaystyle\qquad\qquad\qquad\exp\big{(}\mbox{i}({\mbox{\boldmath$k$}}\cdot{\mbox{\boldmath$x$}}-\omega t)\big{)}\mbox{d}^{3}k\,\mbox{d}\omega$ relation (15) turns then into $\displaystyle\hat{\cal{E}}_{i}({\mbox{\boldmath$k$}},\omega)$ $\displaystyle=\hat{\cal A}_{ij}({\mbox{\boldmath$k$}},\omega)\,\hat{\overline{B}}_{j}({\mbox{\boldmath$k$}},\omega)$ (19) $\displaystyle\qquad\qquad\qquad+\mbox{i}\,\hat{\cal B}_{ijk}({\mbox{\boldmath$k$}},\omega)\,\hat{\overline{B}}_{j}({\mbox{\boldmath$k$}},\omega)k_{k}\,.$ ### 2.2 A simple example We consider first the case in which no mean flow exists, $\overline{{\mbox{\boldmath$U$}}}={\bf 0}$, and the velocity fluctuations $u$ correspond to a homogeneous isotropic turbulence. As for the mean magnetic field $\overline{{\mbox{\boldmath$B$}}}$ we assume ideal scale separation in the sense explained above so that (16) applies. We define homogeneity of the turbulence by the invariance of all averaged quantities depending on $u$ under arbitrary translations of the $u$ field, and isotropy by the invariance of all such quantities under arbitrary rotations of this field about arbitrary axes. We may also fix the $u$ field and subject the coordinate system in which we describe it to translations or rotations. Then homogeneity and isotropy occur as invariance of all averaged quantities under arbitrary translations and arbitrary rotations of the coordinate system. In particular the tensors $a_{ij}$ and $b_{ijk}$ that occur in (16) have to show these properties, that is, their components have to be independent of space coordinates and independent of rotations of the coordinate system. This qualifies them as space-independent isotropic tensors, that is, they differ only by simple factors, say $\alpha$ and $\beta$, from the Kronecker tensor $\delta_{ij}$ and the Levi-Civita tensor $\epsilon_{ijk}$, that is, $a_{ij}=\alpha\,\delta_{ij}$ and $b_{ijk}=\beta\epsilon_{ijk}$. In this way we arrive at ${\mbox{\boldmath$\cal{E}$}}=\alpha\,\overline{{\mbox{\boldmath$B$}}}-\beta\,{\mbox{\boldmath$\nabla$}}\times\overline{{\mbox{\boldmath$B$}}}\,,$ (20) and the mean-field version (9) of Ohm’s law takes the form $\overline{{\mbox{\boldmath$J$}}}=\sigma_{\rm m}(\overline{{\mbox{\boldmath$E$}}}+\alpha\overline{{\mbox{\boldmath$B$}}})$ (21) with the mean-field conductivity $\sigma_{\rm m}$ given by $\sigma_{\rm m}=\sigma/(1+\mu\sigma\beta)\,.$ (22) While $\alpha$ is a pseudoscalar, $\beta$ is a scalar. Homogeneity and isotropy of turbulence do not exclude reflexional symmetry. We define it by the invariance of all averaged quantities depending on $u$ under reflexion of the $u$ field at a point. In the case of homogeneity and isotropy this is equivalent to reflexions at any plane. A reflexion turns a right- handed structure in the flow field in a left-handed one and vice versa. Reflexional symmetry in the above sense implies therefore an equipartition of right-handed and left-handed structures in a fluid flow, that is, the absence of any preferred handedness. A simple consequence is, e.g., that the mean kinetic helicity $\overline{{\mbox{\boldmath$u$}}\cdot({\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$u$}})}$ vanishes. In the case of homogeneous isotropic ref lexionally symmetric turbulence we may easily show that the pseudoscalar $\alpha$ in (20) and (21) has to be zero. There is, however, no restriction to the scalar $\beta$. As long as there are no deviations of the underlying homogeneous isotropic turbulence from reflexional symmetry the mean-field version of Ohm’s law reads simply $\overline{{\mbox{\boldmath$J$}}}=\sigma_{\rm m}\overline{{\mbox{\boldmath$E$}}}$ with $\sigma_{\rm m}$ as given by (22). The insight, that for mean fields a conductivity different from that relevant for the original fields applies, can already be found in papers by Sweet (1950) and Csada (1951). As we will see later (section 2.5) the ratio $\sigma_{\rm m}/\sigma$ can be much bigger than unity. In the solar convection zone, e.g., it may take values of the order of $10^{4}$, what explains in particular the observed life times of sunspots. Turbulence in rotating bodies, on which we want to focus our attention later, is subject to the Coriolis force. It deviates therefore not only from isotropy but also from reflexional symmetry. (This corresponds to the fact that the Coriolis force is determined, e.g., by a right-hand rule.) Preparing investigations of this complex situation, we consider here first the more or less academic case of homogeneous isotropic but not reflexionally symmetric turbulence, in which (20) and (21) with $\alpha\not=0$ apply. The occurrence of the electromotive force $\alpha\overline{{\mbox{\boldmath$B$}}}$ is called “$\alpha$ effect”. It has been first considered by Steenbeck, Krause and Rädler (1966) in a slightly different context (see section 2.3). The $\alpha$ effect allows growing mean magnetic fields, that is, dynamo action. In order to show this we consider the mean-field induction equation (10) with $\overline{{\mbox{\boldmath$U$}}}={\bf 0}$ and $\cal{E}$ specified according to (20), that is, $\eta_{\rm m}{\mbox{\boldmath$\nabla$}}^{2}\overline{{\mbox{\boldmath$B$}}}+\alpha{\mbox{\boldmath$\nabla$}}\times\overline{{\mbox{\boldmath$B$}}}-\partial_{t}\overline{{\mbox{\boldmath$B$}}}={\bf 0}\,,\quad{\mbox{\boldmath$\nabla$}}\cdot\overline{{\mbox{\boldmath$B$}}}=0\,,$ (23) where $\eta_{\rm m}$ is the magnetic mean-field diffusivity, $\eta_{\rm m}=\eta+\beta\,.$ (24) Simple particular solutions $\overline{{\mbox{\boldmath$B$}}}$ of (23) read $\displaystyle\\!\\!\\!\\!\\!\\!\\!\overline{{\mbox{\boldmath$B$}}}$ $\displaystyle=B_{0}(\cos kz,\pm\sin kz,0)\exp(\lambda t)\,,$ (25) $\displaystyle\qquad\qquad\qquad\quad\lambda=-(\eta+\beta)k^{2}\pm\alpha k\,,$ with a wave number $k$, which we consider as positive, and a growth rate $\lambda$. Growing solutions, i.e., such with $\lambda>0$, are possible as soon as $|\alpha|>(\eta+\beta)\,k$. We will see later (section 2.5) that this condition can well be satisfied. ### 2.3 A more realistic example In a next, somewhat more realistic case, we consider turbulence on a rotating body. We assume that for a co-rotating observer no mean flow exists, $\overline{{\mbox{\boldmath$U$}}}={\bf 0}$, but admit slight deviations of the turbulence, $u$, from homogeneity and isotropy. We further assume that the inhomogeneity can be described by a vector $g$, e.g., the intensity gradient ${\mbox{\boldmath$\nabla$}}\overline{u^{2}}$ of the turbulence. The anisotropy depends, of course, apart from $g$ also on the angular velocity $\Omega$ which defines the Coriolis force. Again, we restrict ourselves to sufficiently small variations of the mean magnetic field $\overline{{\mbox{\boldmath$B$}}}$ in space and time so that (16) applies. Considering the deviations of the turbulence from homogeneity and isotropy as sufficiently small, we assume that $a_{ij}$ and $b_{ijk}$ are linear in both $g$ and $\Omega$. Studying then the possible tensorial structures of $a_{ij}$ and $b_{ijk}$ we find $\displaystyle\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!{\mbox{\boldmath$\cal{E}$}}=\alpha_{1}({\mbox{\boldmath$g$}}\cdot{\mbox{\boldmath$\Omega$}})\overline{{\mbox{\boldmath$B$}}}+\alpha_{2}{\mbox{\boldmath$g$}}({\mbox{\boldmath$\Omega$}}\cdot\overline{{\mbox{\boldmath$B$}}})+\alpha_{3}{\mbox{\boldmath$\Omega$}}({\mbox{\boldmath$g$}}\cdot\overline{{\mbox{\boldmath$B$}}})+\gamma{\mbox{\boldmath$g$}}\times\overline{{\mbox{\boldmath$B$}}}$ $\displaystyle\\!\\!-\beta{\mbox{\boldmath$\nabla$}}\times\overline{{\mbox{\boldmath$B$}}}-\delta{\mbox{\boldmath$\Omega$}}\times({\mbox{\boldmath$\nabla$}}\times\overline{{\mbox{\boldmath$B$}}})-\delta_{*}{\mbox{\boldmath$\nabla$}}({\mbox{\boldmath$\Omega$}}\cdot\overline{{\mbox{\boldmath$B$}}})$ (26) with scalar coefficients $\alpha_{1}$, $\alpha_{2}$, … $\delta_{*}$ independent of $g$ and $\Omega$. The first line of (26) reproduces the momentous result by Steenbeck, Krause and Rädler (1966). Due to the Coriolis force there is now (at least locally) a preference of either right-handed or left-handed helical patterns in the turbulent flow. As a consequence the three contributions to $\cal{E}$ with the coefficients $\alpha_{1}$, $\alpha_{2}$ and $\alpha_{3}$ occur in (26). The term $\alpha_{1}({\mbox{\boldmath$g$}}\cdot{\mbox{\boldmath$\Omega$}})\overline{{\mbox{\boldmath$B$}}}$ corresponds to $\alpha\overline{{\mbox{\boldmath$B$}}}$ in relation (20), that is, in the case of homogeneous isotropic turbulence lacking reflexional symmetry. However, the $\alpha_{1}$ term is now accompanied by two others, the $\alpha_{2}$ and $\alpha_{3}$ terms. We speak here again of an $\alpha$ effect, more precisely, if all three terms are considered, of an anisotropic $\alpha$ effect. On a spherical body, on which $g$ points in radial direction, $\alpha_{1}({\mbox{\boldmath$g$}}\cdot{\mbox{\boldmath$\Omega$}})$ changes its sign when moving from the northern hemisphere to the southern one. The $\alpha$ effect as considered here is crucial for special types of mean-field dynamo mechanisms (see section 2.4). The $\gamma$ term in (26) describes the transport of mean magnetic flux by inhomogeneous turbulence. This effect has been first, for a two-dimensional turbulence, considered by Zeldovich (1956), later in a more general context by Rädler (1968a,b). It has been discussed as “pumping of mean magnetic flux” or (since the mean magnetic flux is expelled from regions of high turbulence intensity) as “turbulent diamagnetism”. The $\beta$ term corresponds to that which occurred already in the case of homogeneous isotropic turbulence, that is in (20), and gives rise to introduce the mean-field conductivity in the mean-field version of Ohm’s law or the mean-field diffusivity in the mean-field induction equation. The effect described by the $\delta$ term in (26) has been first considered by Rädler (1969a,b). It is often called “${\mbox{\boldmath$\Omega$}}\times{\mbox{\boldmath$J$}}$ effect”, in what follows also simply “$\delta$ effect”. Combined with mean shear it is capable of dynamo action (see section 2.4). Other than the $\alpha$ effect, the $\delta$ effect requires spatial variations of the mean magnetic field; it does not occur with a homogeneous field. Apart from this it is in a sense simpler than the $\alpha$ effect. It needs no gradient of the turbulence intensity but occurs already with homogeneous turbulence. The sum of the $\beta$ and $\delta$ terms can also be described by an anisotropic mean-field conductivity with a non-symmetric conductivity tensor. The $\delta_{*}$ term is of minor importance. It does not influence the mean-field induction equation as long as $\delta_{*}$ is spatially constant. ### 2.4 Mean-field dynamo mechanisms When discussing dynamo mechanisms due to turbulent motions we focus attention on mean-field dynamos. They are characterized by the ability to generate magnetic fields with length scales much larger than the typical length scales of the turbulent motions. Therefore we call them also “large-scale dynamos”. In this context we should have in mind the finding by Kazantsev (1968) according to which a homogenous isotropic turbulence, which needs not to deviate from reflexional symmetry, may under certain conditions maintain irregular magnetic fields with length scales smaller than or equal to those of the turbulent motion, which therefore do not contribute to a mean magnetic field. We speak then of a “small-scale dynamo”. The influence of large-scale on small-scale dynamos and vice versa is an interesting subject (see, e.g., Brandenburg et al. 2012), which we however do not want to discuss here. Let us consider dynamos due to turbulence on an axisymmetric rotating fluid body. We restrict attention first to mean magnetic fields that are symmetric about the axis of rotation. Each such field can be split into a poloidal part that lies completely in meridional planes, and a toroidal part perpendicular to them. Within this frame, dynamos can always be understood as an interplay between the poloidal and the toroidal part of the mean magnetic field. We admit here a mean motion in the form of differential rotation, that is, a dependence of the corresponding angular velocity $\Omega$ on radius or latitude. In addition to induction effects of turbulent motions described, e.g., by $\alpha$ or $\delta$ effects, we have then also the effect of rotational shear, which we call “$\Omega$ effect”. While $\alpha$ and $\delta$ effect generate poloidal magnetic fields from toroidal ones and vice versa, the $\Omega$ effect generates only a toroidal field from a poloidal one. The simplest mean-field dynamo mechanism is that of $\alpha^{2}$ type, in which both the generation of the poloidal field from the toroidal one as well as that of the toroidal field from the poloidal one is due the $\alpha$ effect. The first spherical models of this type were proposed by Steenbeck and Krause (1969b), and were on the basis of numerical simulations discussed in view of the Earth and the planets. If we admit in addition the $\Omega$ effect and assume that it dominates the generation of the toroidal field, we arrive at dynamos of the $\alpha\Omega$ type. Models of this type have been investigated also by Steenbeck and Krause (1969a) and applied to explain essential features of the magnetic solar cycle. The case in which both the $\alpha$ and the $\Omega$ effect contribute markedly to the generation of the toroidal field is often labeled as mechanism of $\alpha^{2}\Omega$ type. In the course of time, a large number of dynamo models of the mentioned types have been investigated (see, e.g., Rädler 1986). Mean-field dynamos require not necessarily the $\alpha$ effect. It is easy to see that there is no dynamo due to the $\delta$ effect alone. However, the combination of the $\delta$ and $\Omega$ effects is, as demonstrated by Rädler (1969b, 1976), capable of dynamo action. Meanwhile there are several results for dynamo models of that type (see, e.g, Rädler 1974, 1986). Also the combination of another effect which can be described as an anisotropy of the mean-field conductivity with the $\Omega$ effect can lead to a dynamo (Rädler 1986). So far we focussed attention on dynamos with axisymmetric mean fields, which allow a simple description. The mechanisms mentioned here work, however, also with non-axisymmetric mean fields, and there are quite a few cases in which such fields are easier to excite than axisymmetric ones (see, e.g., Rädler 1986). Rogachevskii and Kleorin (2004) claimed that the induction effects that occur in a turbulent fluid under the influence of a global shear, which are similar to those in the $\delta\Omega$ mechanism, are also capable of dynamo action, and they spoke of a “shear-current dynamo”. They calculated the relevant mean- field coefficients however in a defeasible approximation. Several investigations on this ”shear-current dynamo” have been carried out, but no reliable proof for its existence has been given so far. It has been shown for a wide range of assumptions that the magnetic mean-field diffusivity $\eta_{\rm m}=\eta+\beta$ is positive so that a growth of a mean magnetic field due to negative mean diffusivity can be excluded. There is however a very recent result which might provoke scruples in this respect. Some properties of mean-field dynamos are reflected by mean-field models derived from the dynamos investigated by Roberts (1972), working not with turbulence but with regular three-dimensional flows periodic in, say, $x$ and $y$ and independent of $z$. It has been shown very recently by Devlen et al. (2013) that in one of these mean-field models growing mean magnetic fields are generated with no other mean-field induction effect than a negative mean-field diffusivity. It remained open whether this result can be extended to mean- field dynamos working with real turbulence. ### 2.5 Calculation of mean-field coefficients #### 2.5.1 Second-order correlation approximation So far we have have considered connections of the mean electromotive force $\cal{E}$ with the mean magnetic field $\overline{{\mbox{\boldmath$B$}}}$ and its spatial derivatives that are defined by coefficients like $\alpha$, $\beta$, $\alpha_{1}$ or $\delta$, but nothing has been said about their actual values or their dependence on the magnitude or other properties of the fluctuating motions. In the early days of mean-field electrodynamics many calculations of $\cal{E}$ were carried out on the basis of equation (12) for the magnetic fluctuations $b$ but with the $\epsilon$ term canceled. This is an approximation that can be justified for sufficiently small velocity fluctuations $u$ only, often called “second-order correlation approximation” (SOCA) or “first-order smoothing approximation” (FOSA) or “quasilinear approximation”. Consider as an example again the case in which the mean velocity $\overline{{\mbox{\boldmath$U$}}}$ vanishes and the fluctuating velocity $u$ corresponds to a homogeneous isotropic turbulence. Restrict attention further to small variations of the mean magnetic field $\overline{{\mbox{\boldmath$B$}}}$ in space and time, that is, ideal scale separation, and to the in applications most important high-conductivity limit, defined by $\eta\tau_{\rm c}/\lambda_{\rm c}^{2}\ll 1$, where $\tau_{\rm c}$ and $\lambda_{\rm c}$ are correlation time and correlation length of the turbulent motions. Within the frame of SOCA we find then $\displaystyle\alpha$ $\displaystyle=-{\textstyle\frac{1}{3}}\int_{0}^{\infty}\overline{{\mbox{\boldmath$u$}}(t)\cdot({\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$u$}}(t-\tau))}\,\mbox{d}\tau$ (27) $\displaystyle\beta$ $\displaystyle={\textstyle\frac{1}{3}}\int_{0}^{\infty}\overline{{\mbox{\boldmath$u$}}(t)\cdot{\mbox{\boldmath$u$}}(t-\tau)}\,\mbox{d}\tau\,.$ We may write this also in the form $\alpha=-{\textstyle{1\over 3}}\overline{{\mbox{\boldmath$u$}}\cdot({\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$u$}})}\,\tau^{(\alpha)}\,,\quad\beta={\textstyle{1\over 3}}\overline{u^{2}}\,\tau^{(\beta)}$ (28) with $\tau^{(\alpha)}$ and $\tau^{(\beta)}$ defined by equating the corresponding expressions in (27) and (28). Under reasonable assumptions both $\tau^{(\alpha)}$ and $\tau^{(\beta)}$ are approximately equal to $\tau_{\rm c}$. These results are in many respects instructive. In the high-conductivity limit considered here, however, the application of SOCA can only readily be justified if the Strouhal number $St=u_{\rm c}\tau_{\rm c}/\lambda_{\rm c}$, with $u_{\rm c}$ being a characteristic value of $u$, is small compared with unity. In realistic cases of turbulence it is close to unity. It is well possible to proceed from the second-order approximation to a third- order one with $\epsilon$ expressed by second-order results, then to a fourth- order one with $\epsilon$ expressed by third-order results etc., and it has been proven that this procedure converges (Krause 1968). Analytic calculations of that kind are however very tedious and, apart from a few fourth-order results, no results of practical interest have been gained in this way. #### 2.5.2 Test-field method Several other techniques for obtaining results for mean-field coefficients have been proposed, using assumptions which look to a certain extent plausible but cannot be justified in a clean way (for a critical review see, e.g., Rädler and Rheinhardt 2007). In recent years, with growing possibilities of numerical calculations, the “test-field method”, established immediately on the basic equations, brought much progress in the reliable determination of mean-field coefficients. The method was developed by Schrinner et al. (2005, 2007) in the context of this task: Consider a simple geodynamo model, with the magnetic field maintained by convection. Define mean fields by averaging over the azimuthal coordinate; they are then axisymmetric. Extract the mean-field coefficients from the numerical results for this model. Construct a mean-field model with these coefficients. Compare then the mean fields obtained from the original model by direct numerical simulations with those obtained from the mean-field model. In the ideal case they should agree with each other. Let us sketch the idea of the test-field method for the case of the simple connection of the mean electromotive force $\cal{E}$ with $\overline{{\mbox{\boldmath$B$}}}$ and its first spatial derivatives as given by (16). We choose a set of test fields $\overline{{\mbox{\boldmath$B$}}}^{\rm T}$ and replace $\overline{{\mbox{\boldmath$B$}}}$ in (12) consecutively by each of its elements, calculate the corresponding ${\mbox{\boldmath$b$}}^{\rm T}$ and finally ${\mbox{\boldmath$\cal{E}$}}^{\rm T}=\overline{{\mbox{\boldmath$u$}}\times{\mbox{\boldmath$b$}}^{\rm T}}$. These ${\mbox{\boldmath$\cal{E}$}}^{\rm T}$ have to obey $a_{ij}\overline{B}_{j}^{\rm T}+b_{ijk}\partial\overline{B}_{j}^{\rm T}/\partial x_{k}={\cal{E}}_{i}^{\rm T}\,.$ (29) With a sufficient number of independent $\overline{{\mbox{\boldmath$B$}}}^{\rm T}$ we obtain a system of equations which allows us the determination of the $a_{ij}$ and $b_{ijk}$ from the ${\cal{E}}_{i}^{\rm T}$ calculated for the chosen set of $\overline{{\mbox{\boldmath$B$}}}^{\rm T}$. It turned out that there is a high degree of freedom in the choice of the test fields. They need not to be solenoidal and have not to satisfy specific boundary conditions. Let us return once more to the coefficients $\alpha$ and $\beta$ for homogeneous isotropic turbulence. Referring to numerical simulations of hydrodynamic turbulence in a weakly compressible fluid, Sur et al. (2008) used the test-field method for the determination of these coefficients. The turbulence was specified to have an energy input at a wavenumber $k_{\rm f}$, and to be maximally helical, that is, $\overline{({\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$u$}})^{2}}/\overline{{\mbox{\boldmath$u$}}^{2}}=k_{\rm f}^{2}$. Calculations with different values of the hydrodynamic Reynolds number $Re=u_{\rm rms}/\nu k_{\rm f}$, where $\nu$ means the kinematic viscosity, were carried out. In Figs.1 and 2 some results for $\alpha/\alpha_{0}$ and $\beta/\beta_{0}$ with $\alpha_{0}=-{\textstyle{1\over 3}}u_{\rm rms}$ and $\beta_{0}={\textstyle{1\over 3}}u_{\rm rms}/k_{\rm f}$ are shown in dependence on the magnetic Reynolds number $Rm=u_{\rm rms}/\eta k_{\rm f}$. In the turbulence considered here the Strouhal number $St$ turned out to be of the order of unity. So the reported results confirm that (27) and (28), which were derived for $St\ll 1$ only, apply also with realistic values of $St$. The test-field method for the determination of the mean-field coefficients brought much progress in mean-field electrodynamics and beyond. It has been extended to a very broad range of assumptions, is in particular not limited to cases with scale separation (see, e.g., Brandenburg et al. 2008, Rheinhardt and Brandenburg 2010, 2012). Figure 1: Normalized mean-field coefficients $\alpha/\alpha_{0}$ and $\beta/\beta_{0}$ as functions of $Rm$, obtained in test-field calculations by Sur et al. (2009) based on turbulence simulations with $Re=2.2$ Figure 2: Same as Fig.1 but simulations with $Re=10\,Rm$ ### 2.6 Imperfect scale separation #### 2.6.1 Apparent discrepancies In the examples considered so far we have reduced the general representations (14) or (15) of the mean electromotive force $\cal{E}$ as a convolution depending on the mean magnetic field $\overline{{\mbox{\boldmath$B$}}}$ in all space and at the current time and all past times, to the simple local and instantaneous connection (16) of $\cal{E}$ with $\overline{{\mbox{\boldmath$B$}}}$ and its first spatial derivatives. On this level the theory may deliver incomplete or even wrong statements. One example for that is the aforementioned incomplete agreement of the mean- field geodynamo models derived immediately from the basic equations and those constructed with mean-field coefficients determined by the simple version of the test-field method, which considers only local and instantaneous connections of $\cal{E}$ with $\overline{{\mbox{\boldmath$B$}}}$ and its first derivatives (section 2.5.2). #### 2.6.2 Memory effect Another interesting example concerns the growth of a mean magnetic field in a turbulence showing $\alpha$ effect. As Hubbard and Brandenburg (2009) pointed out, the growth rates obtained in direct numerical simulations clearly differ from those derived from a dispersion relation with mean-field coefficients gained in a static approximation, that is, assuming an instantaneous connection of $\cal{E}$ and $\overline{{\mbox{\boldmath$B$}}}$ as in (16). The difference disappears if a proper connection of $\cal{E}$ at a given time with $\overline{{\mbox{\boldmath$B$}}}$ at former times, that is, some memory of the turbulent system, is taken into account. We know meanwhile many examples in which such memory effects play an important role and can even be crucial for the existence of dynamos (Rheinhardt et al. 2014). For an illustration of the memory effect, Hubbard and Brandenburg (2009) considered a Roberts flow instead of a real turbulence. They assumed ${\mbox{\boldmath$u$}}\\!=\\!-{\mbox{\boldmath$e$}}\times{\mbox{\boldmath$\nabla$}}\psi+k_{\rm f}\psi\,{\mbox{\boldmath$e$}}$ and $\psi=(u_{0}/k_{0})\cos k_{0}x\cos k_{0}y$, where $e$ means the unit vector in $z$ direction and $u_{0}$, $k_{\rm f}$ and $k_{0}$ are constants, and they restricted attention on the case of a maximal modulus of the relative helicity $\overline{{\mbox{\boldmath$u$}}\cdot({\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$u$}})}/\overline{{\mbox{\boldmath$u$}}^{2}}k_{\rm f}$, which occurs with $k_{\rm f}=\sqrt{2}k_{0}$. They further defined mean fields by averaging over all $x$ and $y$. Fig 3 shows the normalized growth rates $\lambda/\lambda_{0}$, with $\lambda_{0}=u_{\rm rms}k_{\rm f}$, as functions of $Rm$, obtained (i) in direct numerical simulations and (ii) from the dispersion relation with mean-field coefficients determined in a static approximation. Note the substantial deviations of the two results for large $Rm$. Figure 3: Normalized growth rates $\lambda/\lambda_{0}$ of a mean magnetic field in a Roberts flow as functions of $Rm$, (i) obtained in direct numerical simulations and (ii) calculated from a dispersion relation with mean-field coefficients determined in a static approximation, according to Hubbard and Brandenburg (2009) ## 3 Mean-field magnetohydrodynamics ### 3.1 Momentum balance and consequences So far the fluid velocity has been considered as prescribed. We now relax this assumption and use in addition to the electromagnetic equations (1) and (2), or the induction equation (3), also the momentum balance. For the sake of simplicity we restrict ourselves to an incompressible fluid. Admitting a rotating frame of reference we have then $\displaystyle\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\varrho(\partial_{t}{\mbox{\boldmath$U$}}+({\mbox{\boldmath$U$}}\cdot{\mbox{\boldmath$\nabla$}}){\mbox{\boldmath$U$}})=-{\mbox{\boldmath$\nabla$}}P+\varrho\nu{\mbox{\boldmath$\nabla$}}^{2}{\mbox{\boldmath$U$}}-2\varrho{\mbox{\boldmath$\Omega$}}\times{\mbox{\boldmath$U$}}$ $\displaystyle\quad+(1/\mu)({\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$B$}})\times{\mbox{\boldmath$B$}}+{\mbox{\boldmath$F$}}\,,\quad{\mbox{\boldmath$\nabla$}}\cdot{\mbox{\boldmath$U$}}=0\,.$ (30) Here $\varrho$ means the mass density, $\nu$ again the kinematic viscosity of the fluid, and $P$ the hydrodynamic pressure. The angular velocity $\Omega$ defines the rotation of the frame and so the Coriolis force, and $F$ stands for any external force. The inertial term in (30) is balanced by the pressure gradient, the viscous force, the Coriolis force, the Lorentz force and possibly some external force. Let us focus attention again on turbulent situations. Taking then the average not only of the induction equation (3) but also of the momentum balance (30), we find in addition to the mean-field induction equation (10) with the mean electromotive force $\cal{E}$ given by (11) the mean-field version of the momentum balance, $\displaystyle\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\varrho(\partial_{t}\overline{{\mbox{\boldmath$U$}}}+(\overline{{\mbox{\boldmath$U$}}}\cdot{\mbox{\boldmath$\nabla$}})\overline{{\mbox{\boldmath$U$}}})=-{\mbox{\boldmath$\nabla$}}\overline{P}+\varrho\nu{\mbox{\boldmath$\nabla$}}^{2}\overline{{\mbox{\boldmath$U$}}}-2\varrho{\mbox{\boldmath$\Omega$}}\times\overline{{\mbox{\boldmath$U$}}}$ $\displaystyle\\!\\!\\!\\!\\!\\!\\!+(1/\mu)({\mbox{\boldmath$\nabla$}}\times\overline{{\mbox{\boldmath$B$}}})\times\overline{{\mbox{\boldmath$B$}}}+\overline{{\mbox{\boldmath$F$}}}+{\mbox{\boldmath$\cal{F}$}}\,,\quad{\mbox{\boldmath$\nabla$}}\cdot\overline{{\mbox{\boldmath$U$}}}=0\,,$ (31) with a mean ponderomotive force $\cal{F}$, ${\mbox{\boldmath$\cal{F}$}}=-\varrho\overline{({\mbox{\boldmath$u$}}\cdot{\mbox{\boldmath$\nabla$}}){\mbox{\boldmath$u$}}}+(1/\mu)\overline{({\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$b$}})\times{\mbox{\boldmath$b$}}}\,.$ (32) If we ignore the magnetic field we return to pure hydrodynamics. The mean ponderomotive force $\cal{F}$ covers then, for example, the contribution of the turbulence to the mean-field viscosity, often discussed as eddy viscosity, further the $\Lambda$ effect, which, on a rotating body, may drive differential rotation (Rüdiger 1989), or the anisotropic kinetic $\alpha$ effect (AKA effect, Frisch et al. 1987). We do not want to discuss these subjects here but focus attention on cases with magnetic field. Generalizing the considerations on the mean electromotive force $\cal{E}$ explained above, we see that both the electromotive force $\cal{E}$ and the ponderomotive force $\cal{F}$ may be considered as functionals of fluctuations ${\mbox{\boldmath$u$}}^{(0)}$ and ${\mbox{\boldmath$b$}}^{(0)}$, for example relating to the case of vanishing mean motion and mean magnetic field, of the mean velocity $\overline{{\mbox{\boldmath$U$}}}$, the mean magnetic field $\overline{{\mbox{\boldmath$B$}}}$ and their first spatial derivatives and also of the angular velocity $\Omega$ that determines the Coriolis force. These functionals are not necessarily linear in $\overline{{\mbox{\boldmath$U$}}}$, $\overline{{\mbox{\boldmath$B$}}}$ or $\Omega$. Focussing attention on the mean electromotive force $\cal{E}$ we write once again ${\mbox{\boldmath$\cal{E}$}}={\mbox{\boldmath$\cal{E}$}}^{(0)}+{\mbox{\boldmath$\cal{E}$}}^{(B)}$, with a part ${\mbox{\boldmath$\cal{E}$}}^{(0)}$ independent of the mean magnetic field $\overline{{\mbox{\boldmath$B$}}}$. In our short presentation of mean-field electrodynamics we argued, considering purely hydrodynamic background turbulence, that the part ${\mbox{\boldmath$\cal{E}$}}^{(0)}$ will always decay to zero. Now we may no longer exclude magnetohydrodynamic turbulence, and then this is no longer necessarily the case. A non-zero part ${\mbox{\boldmath$\cal{E}$}}^{(0)}$ of $\cal{E}$ corresponds to a battery. If such a part exists, the mean-field induction equation is no longer homogeneous in the mean magnetic field $\overline{{\mbox{\boldmath$B$}}}$ and has always non-decaying solutions. In the absence of conditions that allow a mean-field dynamo the magnitude of the corresponding mean magnetic fields is determined by ${\mbox{\boldmath$\cal{E}$}}^{(0)}$. If a dynamo is possible, they may act as seed fields. ### 3.2 Yoshizawa effect An interesting example of a contribution to the mean electromotive force independent of the mean magnetic field, ${\mbox{\boldmath$\cal{E}$}}^{(0)}$, has been given by Yoshizawa in 1990. Let us consider magnetohydrodynamic turbulence in the presence of a mean flow or on a rotating body, that is, under the influence of the Coriolis force. Assuming originally homogeneous isotropic turbulence and ideal scale separation in space and time, we may expect that ${\mbox{\boldmath$\cal{E}$}}^{(0)}=c_{U}\overline{{\mbox{\boldmath$U$}}}+c_{W}{\mbox{\boldmath$\nabla$}}\times\overline{{\mbox{\boldmath$U$}}}+c_{\Omega}{\mbox{\boldmath$\Omega$}}$ (33) with three coefficients $c_{U}$, $c_{W}$ and $c_{\Omega}$. If the turbulence shows Galilean invariance, $c_{U}$ has to be zero. The two coefficients $c_{W}$ and $c_{\Omega}$ must be pseudo scalars, and it turns out that they are closely connected with the cross-helicity $\overline{{\mbox{\boldmath$u$}}\cdot{\mbox{\boldmath$b$}}}$. The Yoshizawa effect, that is, an electromotive force like (33) with nonzero $c_{W}$ or $c_{\Omega}$, is capable of building up and maintaining a mean magnetic field. Its strength depends on $c_{W}$ and $c_{\Omega}$. As explained above, it may act as a seed field if there are conditions which allow a further growth of mean magnetic fields. Of course, the production of cross-helicity in general depends also on the mean magnetic field, and in that sense the mean electromotive force under consideration, too, may depend on this mean magnetic field. ### 3.3 $\alpha$ effect and $\alpha$ quenching Let us return to the situation as considered in section 2.2, that is, no mean motion, no Coriolis force and only small variations of $\overline{{\mbox{\boldmath$B$}}}$ in space and time. Instead of purely hydrodynamic turbulence we assume however now homogeneous isotropic magnetohydrodynamic turbulence, for which $b$, like $u$, remains non-zero if $\overline{{\mbox{\boldmath$B$}}}\to{\bf 0}$. Then $\cal{E}$ has to satisfy again (20), that is ${\mbox{\boldmath$\cal{E}$}}=\alpha\,\overline{{\mbox{\boldmath$B$}}}-\beta\,({\mbox{\boldmath$\nabla$}}\times\overline{{\mbox{\boldmath$B$}}})$. Solving the equation governing $b$ under SOCA and that for $u$ under an analogous approximation, further restricting ourselves to the high- conductivity limit, $\eta\tau_{\rm c}/\lambda_{\rm c}^{2}\ll 1$, and the analogous low-viscosity limit, $\nu\tau_{\rm c}/\lambda_{\rm c}^{2}\ll 1$, we find $\displaystyle\alpha$ $\displaystyle=$ $\displaystyle\alpha_{\rm K}+\alpha_{\rm M}$ $\displaystyle\alpha_{\rm K}$ $\displaystyle=$ $\displaystyle-{\textstyle{1\over 3}}\overline{{\mbox{\boldmath$u$}}^{(0)}\cdot({\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$u$}}^{(0)})}\,\tau^{(\alpha{\rm K})}$ (34) $\displaystyle\alpha_{\rm M}$ $\displaystyle=$ $\displaystyle{\textstyle{1\over 3\mu\varrho}}\overline{{\mbox{\boldmath$b$}}^{(0)}\cdot({\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$b$}}^{(0)})}\,\tau^{(\alpha{\rm M})}$ and $\beta=\beta_{\rm K}={\textstyle{1\over 3}}\overline{{{\mbox{\boldmath$u$}}^{(0)}}^{2}}\,\tau^{(\beta)}\,.$ (35) (see, e.g., Rädler and Rheinhardt 2007). Here ${\mbox{\boldmath$u$}}^{(0)}$ and ${\mbox{\boldmath$b$}}^{(0)}$ stand for $u$ and $b$ in the limit $\overline{{\mbox{\boldmath$B$}}}\to{\bf 0}$, and $\tau^{(\alpha{\rm K})}$, $\tau^{(\alpha{\rm M})}$ and $\tau^{(\beta)}$ are quantities approximately equal to the correlation time $\tau_{\rm c}$. Within this framework the $\alpha$ effect has in addition to the kinetic part, which is connected with the mean kinetic helicity $\overline{{\mbox{\boldmath$u$}}\cdot({\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$u$}})}$, a magnetic part connected with the mean current helicity $\overline{{\mbox{\boldmath$b$}}\cdot({\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$b$}})}=\overline{\mu{\mbox{\boldmath$j$}}\cdot{\mbox{\boldmath$b$}}}$. Such a magnetic part has been first considered by Pouquet et al. in 1976. Remarkably the coefficient $\beta$, which determines the mean-field diffusivity, has no such magnetic contribution. If we put ${\mbox{\boldmath$b$}}^{(0)}=0$ we return to our old result for purely hydrodynamic turbulence. Let us now admit an arbitrarily strong mean magnetic field. It causes an anisotropy of the turbulence such that the tensor $a_{ij}$ in (16) has the structure $\alpha_{1}\delta_{ij}+\alpha_{2}e_{i}e_{j}$, where $\alpha_{1}$ and $\alpha_{2}$ may depend on $|\overline{{\mbox{\boldmath$B$}}}|$, and $e$ stands for the unit vector in the direction of $\overline{{\mbox{\boldmath$B$}}}$. Considering then (16) but ignoring, for simplicity, the terms with derivatives of $\overline{{\mbox{\boldmath$B$}}}$, we find again ${\mbox{\boldmath$\cal{E}$}}=\alpha\,\overline{{\mbox{\boldmath$B$}}}$ with $\alpha=\alpha_{1}+\alpha_{2}$ being a function of $|\overline{{\mbox{\boldmath$B$}}}|$. In general we expect a reduction of the modulus of $\alpha$ with growing $|\overline{{\mbox{\boldmath$B$}}}|$. In this case we speak of “$\alpha$ quenching”. It limits the growth of the mean magnetic field and defines a saturation field strength. The determination of the dependence of $\alpha$ on $|\overline{{\mbox{\boldmath$B$}}}|$ is a complex task. A simple ansatz that has been frequently discussed in the past reads $\alpha=\frac{\alpha_{0}}{1+c\,\overline{B}^{2}/B^{2}_{eq}}\,,$ (36) where $\alpha_{0}$ is the value of $\alpha$ in the limit $\overline{{\mbox{\boldmath$B$}}}\to{\bf 0}$, further $c$ a dimensionless positive constant and $B_{eq}$ the equipartition field strength defined such that the energies stored in the fluctuating velocity field and in the mean magnetic field are equal to each other, that is, $B^{2}_{eq}=\mu\varrho\,\overline{u^{2}}$. In 1992 Vainshtein and Cattaneo suggested on the basis of analytical considerations and numerical calculations with an imposed magnetic field a relation like (36) with $c\approx Rm$, where $Rm$ means again the magnetic Reynolds number. In the solar convection zone, for example, $Rm$ takes values of $10^{6}$ or even $10^{9}$, and $\overline{B}/B_{eq}$ values of the order of unity. Then $\alpha$ would be very close to zero and we could not expect any dynamo. Therefore this kind of quenching has been called “catastrophic quenching”. This finding has initiated many discussions and investigations. Considerable progress has been made by investigating the simplest possible dynamo systems with $\alpha$ effect in the nonlinear regime. A fully satisfactory theory of this subject is, however, still missing. One important issue in the recent investigations on $\alpha$ quenching are the hypotheses that $\alpha$ is always a sum of a kinetic part $\alpha_{\rm K}$ and a magnetic part $\alpha_{\rm M}$ and that the latter is determined by the part of the mean current helicity due to the electric current and magnetic field fluctuations, $\overline{{\mbox{\boldmath$j$}}\cdot{\mbox{\boldmath$b$}}}$. The other important issue is the role of the magnetic helicity in a dynamo. We recall here that the magnetic helicity, say $H$, is defined as a volume integral over the magnetic helicity density $h={\mbox{\boldmath$A$}}\cdot{\mbox{\boldmath$B$}}$, where $A$ is a vector potential of the magnetic field $B$, that is ${\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$A$}}={\mbox{\boldmath$B$}}$. If the electromagnetic fields satisfy specific conditions at the surface of this volume, in particular the magnetic field does not intersect this surface, $H$ is independent of the special choice of the vector potential $A$, that is, under gauge transformations of $A$. Then the basic equations imply further that, in the limit of infinite conductivity, $H$ is a conserved quantity, that is, does not change in time. Within the mean-field concept the magnetic helicity density $h$ is the sum of two parts, one originating from the mean magnetic field $\overline{{\mbox{\boldmath$B$}}}$ and the other from the fluctuating part of the magnetic field, $b$. The mean part of the latter, $\overline{{\mbox{\boldmath$a$}}\cdot{\mbox{\boldmath$b$}}}$ with ${\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$a$}}={\mbox{\boldmath$b$}}$, is closely related to the magnetic contribution $\alpha_{\rm M}$ to $\alpha$, which is, as explained above, determined by the part $\overline{{\mbox{\boldmath$j$}}\cdot{\mbox{\boldmath$b$}}}=(1/\mu)\overline{{\mbox{\boldmath$b$}}\cdot({\mbox{\boldmath$\nabla$}}\times{\mbox{\boldmath$b$}})}$ of the mean current helicity. If, for example, in the limit of infinite conductivity $H$ is initially equal to zero and the mean magnetic field grows, the modulus of $\alpha_{\rm M}$ must grow, too. With the hypothesis $\alpha=\alpha_{\rm K}+\alpha_{\rm M}$, further the evolution equation of the mean magnetic helicity density due to fluctuations, and a few plausible assumptions an evolution equation for $\alpha_{\rm M}$, $\partial_{t}\alpha_{\rm M}=-2\eta_{\rm t}k_{\rm f}^{2}\Big{(}\frac{{\mbox{\boldmath$\cal{E}$}}\cdot\overline{{\mbox{\boldmath$B$}}}}{B_{eq}^{2}}+\frac{\alpha_{\rm M}}{Rm}\Big{)}-{\mbox{\boldmath$\nabla$}}\cdot{\mbox{\boldmath$F$}}\,,$ (37) has been derived (see, e.g., Hubbard and Brandenburg 2011). As usual in this context, we write here $\eta_{\rm t}$ instead of $\beta$, and $k_{\rm f}$ denotes again the wavenumber of the energy-carrying scale in the turbulence. $\cal{E}$ should be specified to be equal to $(\alpha_{\rm K}+\alpha_{\rm M})\overline{{\mbox{\boldmath$B$}}}-\eta_{t}{\mbox{\boldmath$\nabla$}}\times\overline{{\mbox{\boldmath$B$}}}$. As above, $B_{eq}$ is the equipartition field strength, and $F$ means a mean magnetic helicity flux. In simple models with periodic boundary conditions the term ${\mbox{\boldmath$\nabla$}}\cdot{\mbox{\boldmath$F$}}$ does not change the total mean magnetic helicity inside a dynamo volume. In general, however, the mean magnetic helicity flux plays a crucial role, and expressions for $F$ have been elaborated which depend, for example, on differential rotation. Models incorporating such results reflect indeed many properties of dynamos in the non-linear regime including saturation field strengths (see, e.g., Brandenburg and Subramanian 2005, Hubbard and Brandenburg 2011,2012, Del Sordo et al. 2013). ## 4 Laboratory experiments The development of dynamo theory was accompanied and supported by several laboratory experiments. As early as in 1967, one year after the first paper about this subject, the $\alpha$ effect has been demonstrated in a liquid sodium flow in the Institute of Physics in Riga (Steenbeck et al. 1967). The measurements were carried out at the so-called “$\alpha$ box”, in which a proper flow geometry has been organized by baffles. Already at this time there were many discussions on the realization of a dynamo in a conducting fluid. It was clear from the very beginning that such an experiment requires a large fluid volume and high flow rates. Only in the last days of the last century, in December 1999, after expensive preparations, two dynamos ran successfully with liquid sodium flows, one in Riga (Gailitis et al. 2000) and one in Karlsruhe (Müller and Stieglitz 2000, 2002). The first one (Riga) is clearly different from a mean-field dynamo, but the second one (Karlsruhe) can be well understood as a mean-field dynamo of $\alpha^{2}$ type (see Rädler et al. 2002). I do not want to go into the details of these experiments but add a more general remark on the sometimes underestimated practical value of basic research. We have learned in geophysically or astrophysically motivated studies that the self-excitation of magnetic fields in moving electrically conducting fluids is possible as soon as the magnetic Reynolds number $Rm=UL/\eta$, with $U$ and $L$ being typical values of fluid velocity and linear dimensions of the considered device, exceeds a critical value, which depends on the flow geometry and lies in all investigated cases above unity. For a long time situations of that kind did not appear in laboratories or in industrial devices. In the sixties and seventies of the last century, however, big fast breeder reactors were built with huge circuits of liquid sodium, which transport the heat produced in the active zone to the places where it is transformed into electric power. Such devices imply indeed the possibility of self-excitation of magnetic fields, what constitutes a big danger. 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arxiv-papers
2014-02-26T14:43:44
2024-09-04T02:49:58.945858
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "K.-H. R\\\"adler", "submitter": "Karl-Heinz Raedler", "url": "https://arxiv.org/abs/1402.6557" }
1402.6601
11institutetext: Univ. Grenoble Alpes, France 22institutetext: Inria Rhône- Alpes, France 33institutetext: Institut universitaire de France 44institutetext: Federal University of Rio Grande do Sul (UFRGS), Porto Alegre, Brazil # Scheduling data flow program in XKaapi: A new affinity based Algorithm for Heterogeneous Architectures Raphaël Bleuse 11 Thierry Gautier 22 João V. F. Lima 44 Grégory Mounié 11 Denis Trystram 1133 ###### Abstract Efficient implementations of parallel applications on heterogeneous hybrid architectures require a careful balance between computations and communications with accelerator devices. Even if most of the communication time can be overlapped by computations, it is essential to reduce the total volume of communicated data. The literature therefore abounds with ad hoc methods to reach that balance, but that are architecture and application dependent. We propose here a generic mechanism to automatically optimize the scheduling between CPUs and GPUs, and compare two strategies within this mechanism: the classical Heterogeneous Earliest Finish Time (HEFT) algorithm and our new, parametrized, Distributed Affinity Dual Approximation algorithm (DADA), which consists in grouping the tasks by affinity before running a fast dual approximation. We ran experiments on a heterogeneous parallel machine with six CPU cores and eight NVIDIA Fermi GPUs. Three standard dense linear algebra kernels from the PLASMA library have been ported on top of the XKaapi runtime. We report their performances. It results that HEFT and DADA perform well for various experimental conditions, but that DADA performs better for larger systems and number of GPUs, and, in most cases, generates much lower data transfers than HEFT to achieve the same performance. ###### Keywords: heterogeneous architectures, scheduling, cost models, dual approximation scheme, programming tools, affinity ## 1 Introduction With the recent evolution of processor design, the future generations of processors will contain hundreds of cores. To increase the performance per watt ratio, the cores will be non-symmetric with few highly powerful cores (CPU) and numerous, but simpler, cores (GPU). The success of such machines will rely on the ability to schedule the workload at runtime, even for small problem instances. One of the main challenges is to define a scheduling strategy that may be able to exploit all potential parallelisms on a heterogeneous architecture composed of multiple CPUs and multiple GPUs. Previous works demonstrate the efficiency of strategies such as static distribution [14, 15], centralized list scheduling with data locality [6], cost models [1, 2, 3, 4] based on Heterogeneous-Earliest-Finish-Time scheduling (HEFT) [16], and dynamic for some specific application domains [5, 10]. Locality-aware work stealing [9], with a careful implementation to overlap communication by computation [13], improves significantly the performance of compute-bound linear algebra problems such as matrix product and Cholesky factorization. Nevertheless, none of the above cited works considers scheduling strategies from the viewpoint of a compromise between performance and locality. In this paper, we propose a scheduling algorithm based on dual approximation [12] that uses a performance model to predict the execution time of tasks during scheduling decision. This algorithm, called Distributed Affinity Dual Approximation (DADA), is able to find a compromise between transfers and performance. It is parametrized by $\alpha$ for tuning this trade-off. The main advantage of dual approximation algorithms is their theoretical performance guarantee as they have a constant approximation ratio. On the contrary, the worst case of HEFT can be arbitrarily bad [12]. We compare these two different scheduling strategies for data-flow task programming. These strategies are implemented on top of the XKaapi scheduling framework with performance models for task execution time and transfer prediction. The contributions of this paper are first the design and implementation of dual approximation scheduling algorithms (with and without affinity) and second its evaluation in comparison to the well-known HEFT algorithm on three dense linear algebra algorithms in double precision floating-point operations from PLASMA [7]: namely Cholesky, LU, and QR. To our knowledge, this paper is the first report of experimental evaluations studying the impact of data transfer model and contention on a machine with up to $8$ GPUs. The main lesson of this work is that scheduling algorithms need extra information in order to take the right decisions. Such extra information could be obtained in a precise communication model to predict processing time of each task or in a more flexible information such as the affinity in DADA. Even if HEFT remains a good candidate for scheduling such linear algebra kernels, DADA is highly competitive against it for multi-GPU systems: the experimental results demonstrate that it achieves the same range of performances while reducing significantly the communication volume. The remainder of this paper is organized as follows. Section 2 provides an overview of XKaapi runtime system, describes the XKaapi scheduling framework and the cost model applied for performance prediction. Section 3 details the two studied scheduling strategies. Section 4 presents our experimental results on a heterogeneous architecture composed of $12$ CPUs and $8$ GPUs. In Section 5 we briefly survey related works on runtime systems, scheduling strategies and performance prediction. Finally, Section 6 concludes the paper and suggests future directions. ## 2 Scheduling framework in XKaapi The XKaapi111http://kaapi.gforge.inria.fr data-flow model [8] – as in Cilk, Intel TBB, OpenMP-3.0, or OmpSs [6] – enables non-blocking task creation: the caller creates the task and proceeds with the program execution. Parallelism is explicit while the detection of synchronizations is implicit [8]: dependencies between tasks and memory transfers are automatically managed by the runtime. XKaapi runtime is structured around the notion of _worker_ : it is the internal representation of kernel thread. It executes the code of the tasks takes local scheduling decisions. Each _worker_ owns a local queue of ready tasks. Our interface is mainly inspired by work stealing scheduler and composed of three operations that act on workers’ queues of tasks: _pop_ , _push_ and _steal_. In our previous work, we demonstrated the efficiency of XKaapi locality-aware work stealing as well as the corresponding multi-GPU runtime support [9] using specialized implementation of these operations. A new operation, called _activate_ , has been defined to push ready task to a worker’s queue. ### 2.1 Execution flow The sketch of the execution mechanism is the following: at each step, either the own queue of worker is not empty and the worker uses it; or the worker emits a steal request to a randomly selected worker in order to get a task to execute. According to the dependencies between tasks, once a worker performs a task, it calls the _activate_ operations in order to activate the successors of the task which become ready for execution. The XKaapi runtime gets information from each internal events (such as start- end of task execution, or start-end of communication to GPU) to calibrate the performance model and corrects erroneous predictions due to unpredictable or unknown behavior (e.g. operating system state or I/O disturbance). StarPU [4] uses similar runtime measurements in order to correct the performance predictions in their HEFT implementation. All of our scheduling strategies follow this sketch. Every worker terminates its execution when all the tasks of the application have been executed. ### 2.2 Pop, Push, Steal and Activate Operations A framework interface for scheduling strategies is not a new concept in heterogeneous systems. Bueno et al. [6] and Augonnet et al. [4] described a minimal interface to design scheduling strategies with selection at runtime. However, there is little information available on the comparison of different strategies. Most of them reported performance on centralized list scheduling and performance models. Our framework is composed of three classical operations in work stealing context, plus an action to activate tasks when predecessors have completed. * • The _push_ operation inserts a task into a queue. A worker can push a task into any other workers’ queue. * • A _pop_ removes a task from the local queue owned by the caller worker. * • A _steal_ removes a task from the queue of a remote worker. It is called by an idle thread – the _thief_ – in order to pick tasks from a randomly selected worker – the _victim_. * • The _activate_ operation is called after the completion of a task. The role of this operation is to allocate the tasks that are ready to be executed. Hence, most of the scheduling decision are done during this operation. ### 2.3 Performance Model Cost models depend on a certain knowledge of both application algorithm and the underlying architecture to predict performance at runtime. In order to predict performance, we designed a StarPU [3] like performance model for task execution time and communication. Our task prediction relies on an history- based model, and transfer time estimation is based on asymptotic bandwidth. They are associated with scheduling strategies that are based on task completion time such as HEFT and DADA with and without affinity. In order to balance efficiently the load, for each processor XKaapi maintains a shared time-stamp of the predicted date when it has completed its tasks. The completion date of the last executed task is also kept. The update and incrementation of the time-stamps are efficiently implemented with atomic operators. ## 3 Scheduling Strategies This section introduces the scheduling strategies designed on top of the XKaapi scheduling framework. We consider a multi-core parallel architecture with $m$ homogeneous CPUs and $k$ homogeneous GPUs. First, we describe our implementation of HEFT [16]. Then, we recall the principle of the dual approximation scheme [11]. We propose a new algorithm – Distributed Affinity Dual Approximation (DADA) – based on this paradigm which takes into account the affinity between tasks. In the following we denote by $p^{CPU}_{i}$ the processing time of task $T_{i}$ on a CPU and $p^{GPU}_{i}$ on a GPU. We define the speedup $S_{i}$ of task $T_{i}$ as the ratio $S_{i}=p^{CPU}_{i}\\!/\,p^{GPU}_{i}$. ### 3.1 HEFT within XKaapi The Heterogeneous Earliest-Finish-Time algorithm (HEFT), proposed by [16], is a scheduling algorithm for a bounded number of heterogeneous processors. Its time complexity is in $O(n^{2}\cdot(m+k))$. It has two major phases: _task prioritizing_ and a _worker selection_. Our XKaapi version of HEFT implements both phases during the _activate_ operation. The _task prioritizing_ phase computes for all ready tasks $T_{i}$ its speedup $S_{i}$ relative to an execution on GPU. Next, it sorts the list of ready tasks by decreasing speedups. Whereas the original HEFT rule sorts the tasks by decreasing upward rank (average path length to the end), our rule gives priority on minimizing the sum of the execution times. In the _worker selection_ phase, the algorithm selects tasks in the order of their speedup $S_{i}$ and schedules each task on the worker which minimizes the completion time. Algorithm 1 describes the basic steps of HEFT over XKaapi. 1 Input : A list of ready tasks $T_{i}$ LR Output : Tasks $T_{i}$ pushed to the worker’s queues 2 3foreach _$T_{i}\in\textnormal{{LR}}$ _ do 4 $S_{i}\leftarrow p^{CPU}_{i}\\!/\,p^{GPU}_{i}$ 5 6 end foreach 7Sort all ready tasks $T_{i}$ by decreasing speedup $S_{i}$ 8 foreach _$T_{i}\in\textnormal{{LR}}$ _ do 9 Schedule $T_{i}$ on the worker $w_{j}$ achieving the earliest finish time 10 push of $T_{i}$ into queue of worker $w_{j}$ 11 Update processor load time-stamps on worker $w_{j}$ 12 13 end foreach Algorithm 1 HEFT – _activate_ operation. ### 3.2 Dual Approximation and Affinity #### 3.2.1 Dual Approximation Let us recall first that a $\rho$-dual approximation scheduling algorithm considers a guess $\lambda$ (which is an estimation of the optimal makespan) and either delivers a schedule of makespan at most $\rho\lambda$ or answers correctly that there exists no schedule of length at most $\lambda$ [11]. The process is repeated by a classical binary search on $\lambda$ up to a precision of $\epsilon$. We target $\rho=2$. The dual approximation part of Algorithm 2 consists in the following steps: * • Choice of the initial guess $\lambda$ (lines 2 and 2); * • Extract the tasks which fit only into GPUs ($p^{CPU}_{i}>\lambda$), and symmetrically those which are dedicated to CPUs (line 2); * • Keep this schedule if the tasks fit into $\lambda$ (line 2). Otherwise, reject it if there is a task larger than $\lambda$ on both CPUs and GPUs (line 2); * • Add to the tasks allocated to the GPU those which have the largest speedup $S_{i}$ up to overreaching the threshold $\lambda$ (line 2) which guarantees the ratio $\rho=2$; * • Put all the remaining tasks in the $m$ CPUs and execute them using an earliest-finish-time scheduling policy (line 2). #### 3.2.2 Affinity DADA builds a compromise taking into account both raw performance and transfers. The principle consists in two successive phases: a first local phase targeting the reduction of the communications through the abstraction described below and a second phase which counter-balances the induced serialization aiming at a global balance. Any algorithm optimizing the makespan could be used for the second phase. We use a basic dual- approximation. In order to gain a finer control, the length of the first phase is controlled by a parameter (denoted by $\alpha$, $0\leq\alpha\leq 1$). A value of $0$ for $\alpha$ means that the affinity is not taken into account: DADA is then a basic dual-approximation. While at the opposite a value close to $1$ allows a length up to $\lambda$ for the first phase, thus giving a greater weight to affinity. Each pair (task, computation resource) is given an affinity score. Maximizing the score over the whole schedule enables to consider local impacts. The affinity scores are computed using extra information of the runtime. In our implementation, they were computed using the amount of data updated by each task. For instance, a task that _writes_ or _modifies_ a data stored on a resource $R$ has a high score and is prone to be scheduled on $R$. Input : A list of ready tasks $T_{i}$ LR Output : Tasks $T_{i}$ pushed to the worker’s queues 1 $lower\leftarrow 0$ 2 $upper\leftarrow\sum_{i}max(p^{CPU}_{i},p^{GPU}_{i})$ 3 while _$(upper-lower) >\epsilon$_ do 4 $\lambda\leftarrow(upper+lower)/\,2$ 5 6 begin _local affinity phase_ 7 Schedule tasks of LR per affinity score on its affinity processor, loading each processor up to overreaching $\alpha\lambda$ 8 end 9 10 begin _global balance phase_ 11 Schedule LR to minimize finish time using $\lambda$ as hint 12 if _tasks do fit into $(2+\alpha)\lambda$_ then 13 $upper\leftarrow\lambda$ 14 Keep current schedule 15 16 else 17 $lower\leftarrow\lambda$ 18 Reject current schedule 19 20 end if 21 22 end 23 24 end while 25Push each task $T_{i}$ of LR on queue of worker $w_{j}$ based on the last fitting schedule and update processor load time-stamps Algorithm 2 DADA – _activate_ operation. ## 4 Experiments ### 4.1 Experimental setup: Platform & Benchmarks #### 4.1.1 Platform All experiments have been conducted on a heterogeneous, multi-GPU system. It is composed of two hexa-core Intel Xeon X5650 CPUs running at 2.66 GHz with 72 GB of memory. It is enhanced with eight NVIDIA Tesla C2050 GPUs (Fermi architecture) of 448 GPU cores (scalar processors) running at 1.15 GHz each (2688 GPU cores total) with 3 GB GDDR5 per GPU (18 GB total). The machine has $4$ PCIe switches to support up to $8$ GPUs. When $2$ GPUs share a switch, their aggregated PCIe bandwidth is bounded by the one of a single PCIe 16x. Experiments using up to $4$ GPUs avoid this bandwidth constraint by using at most $1$ GPU per PCIe switch. #### 4.1.2 Benchmarks All benchmarks ran on top of a GNU/Linux Debian 6.0.2 squeeze with kernel 2.6.32-5-amd64. We compiled with GCC 4.4 and linked against CUDA 5.0 and the library ATLAS 3.9.39 (BLAS and LAPACK). All experiments use the tile algorithms of PLASMA [7] for Cholesky (DPOTRF), LU (DGETRF), and QR (DGEQRF). The QUARK API [17] has been implemented and extended in XKaapi to support task multi-specialization: the XKaapi runtime maintains the CPU and GPU versions for each PLASMA task. At the task execution, our QUARK version runs the appropriate task implementation in accordance with the worker architecture. The GPU kernels of QR and LU are based on previous works from [1, 2] and adapted from PLASMA CPU algorithm and MAGMA from [15]. Each running GPU monopolizes a CPU to manage its worker. The remaining CPU cores are involved in the application computations. #### 4.1.3 Methodology Each experiment has been executed at least 30 times for each set of parameters and we report on all the figures (Fig. 1, 2, 3 and 4) the mean and the $95\%$ confidence interval. The factorizations have been done in double precision floating-point operations with a PLASMA internal block (_IB_) of size $128$ and tiles of size $512$. For each of them, we plot the highest performance obtained on various matrix sizes with the discussed scheduling strategies. In the following, DADA($\alpha$) represents DADA parametrized by $\alpha$. We denote by DADA($\alpha$)+CP the algorithm using Communication Prediction as supplementary information. HEFT strategy always computes the earliest finish time of a task taking into account the time to transfer data before executing the task. ### 4.2 Impact of the affinity control parameter $\alpha$ This section highlights the impact of the affinity control parameter $\alpha$ on the compromise between performance and data transfers. The measures have been done with the Cholesky decomposition on matrices of size $8192\times 8192$ and $16384\times 16384$. However, we present only results for the smallest size as we observe similar behaviors for both matrix sizes. Fig. 1 shows both performance (Fig. 1(a) and 1(b)) and total memory transfers (Fig. 1(c) and 1(d)) for several values of $\alpha$ with respect to the number of GPUs. Both metrics are shown without (Fig. 1(a) and 1(c)) and with (Fig. 1(b) and 1(d)) communication prediction taken into account. Once affinity is considered (_i.e._ $\alpha\neq 0$), the higher the value of $\alpha$, the better the policy scales. Using as little information as possible (_i.e._ DADA($0$) and no communication prediction), the policy performance does not scale with more than two GPUs due to a too huge amount of transfers. (a) Performance of DADA($\alpha$). (b) Performance of DADA($\alpha$)+CP. (c) Memory transfer of DADA($\alpha$). (d) Memory transfer of DADA($\alpha$)+CP. Figure 1: Impact of parameter $\alpha$ on Cholesky (DPOTRF) with matrix of size $8192\times 8192$. ### 4.3 Comparison of scheduling strategies We present in this section the results for the three kernels with matrix size $8192\times 8192$. Other tested sizes have the same behavior. The idea is to evaluate the behavior of each strategy with different work loads. Both performance and data transfers of the policies introduced above: HEFT, DADA($0$), DADA($\alpha$) and DADA($\alpha$)+CP are studied. #### 4.3.1 Experimental evaluation Fig. 2 reports the behavior of the Cholesky decomposition (DPOTRF) with respect to the number of GPUs used. It studies both performance results (Fig. 2(a)) and total memory transfers (Fig. 2(b)). All scheduling algorithms have similar performances. DADA($\alpha$)+CP slightly better scales with the number of GPU. As expected DADA($\alpha$)+CP and DADA($\alpha$) are the policies with the lowest bandwidth footprint up to 6 GPU. Yet, as the number of GPU grows, the use of communication prediction allows to reduce the communication volume with sustained high performances. Fig. 3 reports the behavior of the LU factorization (DGETRF). It studies both performance results (Fig. 3(a)) and total memory transfers (Fig. 3(b)). Apart from the performance of DADA+CP for six CPUs and six GPUs (with a large confidence interval), all scheduling policies sustain the same performance. Data transfers seem to have a little impact on performance. However, DADA($\alpha$)+CP generates less memory movements than other strategies. DADA($0$) is the most costly policy while DADA($\alpha$) and HEFT have similar impacts. The total memory transfers have the same shape than for the Cholesky factorization. Still, the gap between the curves is widening: DADA($\alpha$)+CP is $3.5$ less demanding in bandwidth than HEFT for only a slowdown of about $1.13$ in performance for 8 GPU. Finally, Fig. 4 reports the behavior of the QR factorization (DGEQRF) with respect to the number of GPUs used. Both performance results (Fig. 4(a)-) and total memory transfers (Fig. 4(b)) are studied. All dual approximations (DADA($0$), DADA($\alpha$), DADA($\alpha$)+CP) behave the same and are outperformed by HEFT. Even the low transfer footprint of both DADA($\alpha$) is not able to sustain performance. It seems that the dependencies between tasks for QR factorization have a strong impact on the schedule computed by all dual approximation algorithms. We are still investigating this particular point. (a) Performance ($8192\times 8192$). (b) Memory Transfer ($8192\times 8192$). Figure 2: Benchmarks of Cholesky (DPOTRF). (a) Performance ($8192\times 8192$). (b) Memory Transfer ($8192\times 8192$). Figure 3: Benchmarks of LU (DGETRF). (a) Performance ($8192\times 8192$). (b) Memory Transfer ($8192\times 8192$). Figure 4: Benchmarks of QR (DGEQRF). #### 4.3.2 Discussion ##### Communication prediction Affinity is a viable alternative to communication modeling. Indeed, DADA without communication prediction is comparable to HEFT in terms of performance. Moreover, affinity based policy combined with communication prediction allows to reduce further more memory transfers (up to a factor $3.5$ when compared to HEFT). ##### Comparison with work stealing scheduling algorithm For the sake of completeness, we also tested the work stealing algorithm. However we did not plot the results in previous figures for the sake of readability. We briefly discuss them now. The naive work stealing algorithm is cache unfriendly, especially with small matrices as its random choices are heavily penalizing [9]. On the contrary, the affinity policies proposed here are suitable for this case. When scheduling for medium and large matrix sizes, the impact of modeling inaccuracies grows. Model oblivious algorithms such as work-stealing behave well by efficiently overlapping communications and computations while HEFT is induced in error by the imprecise communication prediction. Hence, our approach is much more robust than work stealing and HEFT since it does not need a too precise communication model and adapts well to various matrix sizes. ## 5 Related Works StarPU [4], OmpSs [6] and QUARK [17] are programming environments or libraries that enables to automatically schedule tasks with data flow dependencies. OmpSs is based on OpenMP-like pragmas while StarPU and QUARK are C libraries of function. QUARK does not schedule tasks on multi-GPUs architecture and implements a centralized greedy list scheduling algorithm. OmpSs locality- aware scheduling, similar to our data-aware heuristic from [9], computes an affinity score based on where the data is located and its size. Then, the task is placed on the highest affinity resource or in a global list, otherwise. StarPU scheduler uses the HEFT [16] algorithm to schedule all ready tasks in accordance with the cost models for data transfer and task execution time [3]. Our data transfer model is based on StarPU model with minor extension. In the context of dense linear algebra algorithms, PLASMA [7] provides fine-grained parallel linear algebra routines with dynamic scheduling through QUARK, which was conceived specially for numerical algorithms on multi-CPUs architecture. MAGMA [15] implements static scheduling for linear algebra algorithms on heterogeneous systems composed of GPUs. Recently it has included some methods with dynamic scheduling in multi-CPU and multi-GPU on top of StarPU, in addition to the static multi-GPU version. In [14] the authors based their Cholesky factorization on 2D block cyclic distribution with an owner compute rule to map tasks to resources. DAGuE [5] is a parallel framework focused on multi-core clusters and supports single-GPU nodes. Other papers reported performance results of task-based algorithms with HEFT cost model scheduling on heterogeneous architectures for the Cholesky [4], LU [1], and QR [2] factorizations. All the results report evaluation of single floating point arithmetics with up to $3$ GPUs. Due to the small number of GPUs, such studies cannot observe contention and scalability. ## 6 Conclusion We presented in this paper a new scheduling algorithm on top of the XKaapi runtime. It is based on a dual approximation scheme with affinity and has been compared to the classical HEFT algorithm for three tile algorithms from PLASMA on an heterogeneous architecture composed of $8$ GPUs and $12$ CPUs. Both algorithms attained significant speed up on the three dense linear algebra kernel. Moreover, if HEFT achieves the best absolute performance with respect to DADA on QR, while DADA has similar or better performances than HEFT on Cholesky and LU for large numbers of GPU. Nevertheless, DADA allows to significantly reduce the data transfers with respect to HEFT. More interesting, thanks to its affinity criteria DADA can introduce communication in the scheduling without too precise communication cost model which are required in HEFT to predict the completion time of tasks. We would like to extend the experimental evaluations on robustness of scheduling with respect to uncertainties in cost models, especially on the communication cost which is very sensitive to contentions that may appear at runtime. Another interesting issue would be to study other affinity functions. ## Acknowledgments This work has been partially supported by the French Ministry of Defense – DGA, the ANR 09-COSI-011-05 Project Repdyn and CAPES/Brazil. ## References * [1] Agullo, E., Augonnet, C., Dongarra, J., Faverge, M., Langou, J., Ltaief, H., Tomov, S.: Lu factorization for accelerator-based systems. In: IEEE/ACS AICCSA. pp. 217–224. AICCSA ’11, IEEE Computer Society, Washington, DC, USA (2011) * [2] Agullo, E., Augonnet, C., Dongarra, J., Faverge, M., Ltaief, H., Thibault, S., Tomov, S.: QR Factorization on a Multicore Node Enhanced with Multiple GPU Accelerators. In: IEEE IPDPS. EUA (2011) * [3] Augonnet, C., Thibault, S., Namyst, R.: Automatic calibration of performance models on heterogeneous multicore architectures. In: Euro-Par. pp. 56–65. Springer-Verlag (2010) * [4] Augonnet, C., Thibault, S., Namyst, R., Wacrenier, P.A.: StarPU: a unified platform for task scheduling on heterogeneous multicore architectures. Concurrency and Computation: Practice and Experience 23(2), 187–198 (2011) * [5] Bosilca, G., Bouteiller, A., Danalis, A., Herault, T., Lemarinier, P., Dongarra, J.: DAGuE: A generic distributed DAG engine for High Performance Computing. Parallel Computing 38(1–2), 37–51 (2012) * [6] Bueno, J., Planas, J., Duran, A., Badia, R.M., Martorell, X., Ayguadé, E., Labarta, J.: Productive Programming of GPU Clusters with OmpSs. In: IEEE IPDPS (2012) * [7] Buttari, A., Langou, J., Kurzak, J., Dongarra, J.: A class of parallel tiled linear algebra algorithms for multicore architectures. Parallel Computing 35(1), 38–53 (2009) * [8] Gautier, T., Besseron, X., Pigeon, L.: KAAPI: A thread scheduling runtime system for data flow computations on cluster of multi-processors. In: PASCO’07. ACM, London, Canada (2007) * [9] Gautier, T., Lima, J.V., Maillard, N., Raffin, B.: XKaapi: A Runtime System for Data-Flow Task Programming on Heterogeneous Architectures. In: IEEE IPDPS. pp. 1299–1308 (2013) * [10] Hermann, E., Raffin, B., Faure, F., Gautier, T., Allard, J.: Multi-GPU and Multi-CPU Parallelization for Interactive Physics Simulations. In: Euro-Par. vol. 6272, pp. 235–246. Springer (2010) * [11] Hochbaum, D.S., Shmoys, D.B.: Using dual approximation algorithms for scheduling problems theoretical and practical results. J. ACM 34(1), 144–162 (Jan 1987) * [12] Kedad-Sidhoum, S., Monna, F., Mounié, G., Trystram, D.: Scheduling independent tasks on multi-cores with gpu accelerators. In: 11th HeteroPar Workshop (2013) * [13] Lima, J.V.F., Gautier, T., Maillard, N., Danjean, V.: Exploiting Concurrent GPU Operations for Efficient Work Stealing on Multi-GPUs. In: 24th SBAC-PAD. pp. 75–82. IEEE, New York, USA (2012) * [14] Song, F., Dongarra, J.: A scalable framework for heterogeneous GPU-based clusters. In: ACM SPAA. pp. 91–100. ACM, New York, NY, USA (2012) * [15] Tomov, S., Dongarra, J., Baboulin, M.: Towards dense linear algebra for hybrid GPU accelerated manycore systems. Parallel Computing 36(5-6), 232–240 (2010) * [16] Topcuoglu, H., Hariri, S., Wu, M.Y.: Performance-effective and low-complexity task scheduling for heterogeneous computing. 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arxiv-papers
2014-02-26T16:37:01
2024-09-04T02:49:58.959455
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Rapha\\\"el Bleuse and Thierry Gautier and Jo\\~ao V. F. Lima and\n Gr\\'egory Mouni\\'e and Denis Trystram", "submitter": "Gr\\'egory Mouni\\'e", "url": "https://arxiv.org/abs/1402.6601" }
1402.6670
# Local characterization of polyhedral spaces Nina Lebedeva N. Lebedeva Steklov Institute, 27 Fontanka, St. Petersburg, 191023, Russia. Math. Dept. St. Petersburg State University, Universitetsky pr., 28, Stary Peterhof, 198504, Russia. [email protected] and Anton Petrunin A. Petrunin Math. Dept. PSU, University Park, PA 16802, USA [email protected] ###### Abstract. We show that a compact length space is polyhedral if a small spherical neighborhood of any point is conic. N. Lebedeva was partially supported by RFBR grant 14-01-00062. A. Petrunin was partially supported by NSF grant DMS 1309340. ## 1\. Introduction In this note we characterize polyhedral spaces as the spaces where every point has a conic neighborhood. Namely, we prove the following theorem; see Section 2 for all necessary definitions. 1.1. Theorem. A compact length space $X$ is polyhedral if and only if a neighborhood of each point $x\in X$ admits an open isometric embedding to Euclidean cone which sends $x$ to the tip of the cone. Note that we do not make any assumption on the dimension of the space. If the dimension is finite then the statement admits a simpler proof by induction; this proof is indicated in the last section. A priori, it might be not clear why the space in the theorem is even homeomorphic to a simplicial complex. This becomes wrong if you remove word “isometric” from the formulation. For example, there are closed 4-dimensional topological manifold which does not admit any triangulation, see [2, 1.6]. The Theorem 1 is applied in [5], where it is used to show that an Alexandrov space with the maximal number of extremal points is a quotient of $\mathbb{R}^{n}$ by a cocompact properly discontinuous isometric action; see also [4]. Idea of the proof. Let us cover $X$ by finite number of spherical conic neighborhood and consider its nerve, say $\mathcal{N}$. Then we map $\mathcal{N}$ barycentrically back to $X$. If we could show that the image of this map cover whole $X$ that would nearly finish the proof. Unfortunately we did not manage to show this statement and have make a walk around; this is the only subtle point in the proof below. Acknowledgment. We would like to thank Arseniy Akopyan, Vitali Kapovitch, Alexander Lytchak and Dmitri Panov for their help. ## 2\. Definitions In this section we give the definition of polyhedral space of arbitrary dimension. It seems that these spaces were first considered by Milka in [6]; our definitions are equivalent but shorter. Metric spaces. The distance between points $x$ and $y$ in a metric space $X$ will be denoted as $|x-y|$ or $|x-y|_{X}$. Open $\varepsilon$-ball centered at $x$ will be denoted as $B(x,\varepsilon)$; i.e., $B(x,\varepsilon)=\left\\{\,\left.{y\in X}\vphantom{|x-y|<\varepsilon}\,\right|\,{|x-y|<\varepsilon}\,\right\\}.$ If $B=B(x,\varepsilon)$ and $\lambda>0$ we use notation $\lambda{\hskip 0.5pt\cdot\hskip 0.5pt}B$ as a shortcut for $B(x,\lambda{\hskip 0.5pt\cdot\hskip 0.5pt}\varepsilon)$. A metric space is called _length space_ if the distance between any two points coincides with the infimum of lengths of curves connecting these points. A _minimizing geodesic_ between points $x$ and $y$ will be denoted by $[xy]$. Polyhedral spaces. A length space is called _polyhedral space_ if it admits a finite triangulation such that each simplex is (globally) isometric to a simplex in Euclidean space. Note that according to our definition, the polyhedral space has to be compact. Cones and homotheties. Let $\Sigma$ be a metric space with diameter at most $\pi$. Consider the topological cone $K=[0,\infty)\times\Sigma/\sim$ where $(0,x)\sim(0,y)$ for every $x,y\in\Sigma$. Let us equip $K$ with the metric defined by the rule of cosines; i.e., for any $a,b\in[0,r)$ and $x,y\in\Sigma$ we have $|(a,x)-(b,y)|_{K}^{2}=a^{2}+b^{2}-2{\hskip 0.5pt\cdot\hskip 0.5pt}a{\hskip 0.5pt\cdot\hskip 0.5pt}b{\hskip 0.5pt\cdot\hskip 0.5pt}\cos|x-y|_{\Sigma}.$ The obtained space $K$ will be called _Euclidean cone over_ $\Sigma$. All the pairs of the type $(0,x)$ correspond to one point in $K$ which will be called the _tip_ of the cone. A metric space which can be obtained in this way is called _Euclidean cone_. Equivalently, Euclidean cone can be defined as a metric space $X$ which admits a one parameter family of homotheties $m^{\lambda}\colon X\to X$ for $\lambda\geqslant 0$ such that for any fixed $x,y\in X$ there are real numbers $\zeta$, $\eta$ and $\vartheta$ such that $\zeta,\vartheta\geqslant 0$, $\eta^{2}\leqslant\zeta{\hskip 0.5pt\cdot\hskip 0.5pt}\vartheta$ and $|m^{\lambda}(x)-m^{\mu}(y)|_{X}^{2}=\zeta{\hskip 0.5pt\cdot\hskip 0.5pt}\lambda^{2}+2{\hskip 0.5pt\cdot\hskip 0.5pt}\eta{\hskip 0.5pt\cdot\hskip 0.5pt}\lambda{\hskip 0.5pt\cdot\hskip 0.5pt}\mu+\vartheta{\hskip 0.5pt\cdot\hskip 0.5pt}\mu^{2}.$ for any $\lambda,\mu\geqslant 0$. The point $m^{0}(x)$ is the tip of the cone; it is the same point for any $x\in X$. Once the family of homotheties is fixed, we can abbreviate $\lambda{\hskip 0.5pt\cdot\hskip 0.5pt}x$ for $m^{\lambda}(x)$. Conic neighborhoods. 2.1. Definition. Let $X$ be a metric space, $x\in X$ and $U$ a neighborhood of $x$. We say that $U$ is a _conic_ neighborhood of $x$ if $U$ admits an open distance preserving embedding $\iota\colon U\to K_{x}$ into Euclidean cone $K_{x}$ which sends $x$ to the tip of the cone. If $x$ has a conic neighborhood then the cone $K_{x}$ as in the definition will be called _the cone at $x$_. Note that in this case $K_{x}$ is unique up to an isometry which sends the tip to the tip. In particular, any conic neighborhood $U$ of $x$ admits an open distance preserving embedding $\iota_{U}\colon U\to K_{x}$ which sends $x$ to the tip of $K_{x}$. Moreover, it is easy to arrange that these embeddings commute with inclusions; i.e., if $U$ and $V$ are two conic neighborhoods of $x$ and $U\supset V$ then the restriction of $\iota_{U}$ to $V$ coincides with $\iota_{V}$. The later justifies that we omit index $U$ for the embedding $\iota\colon U\to K_{x}$. Assume $x\in X$ has a conic neighborhood and $K_{x}$ is the cone at $x$. Given a geodesic $[xy]$ in $X$, choose a point $\bar{y}\in\left[xy\right]\backslash\\{x\\}$ sufficiently close to $x$ and set $\log[xy]=\frac{|x-y|_{X}}{|x-\bar{y}|_{X}}{\hskip 0.5pt\cdot\hskip 0.5pt}\iota(\bar{y})\in K_{x}.$ Note that $\log[xy]$ does not depend on the choice of $\bar{y}$. ## 3\. Preliminary statements 3.1. Definition. Let $X$ be a metric space and $[px_{1}]$, $[px_{2}],\dots,[px_{m}]$ are geodesics in $X$. We say that a neighborhood $U$ of $p$ _splits_ in the direction of the geodesics $[px_{1}]$, $[px_{2}],\dots,[px_{k}]$ if there is an open distance preserving map $\iota$ from $U$ to the product space $E\times K^{\prime}$, such that $E$ is a Euclidean space and the inclusion $\iota(U\cap[px_{i}])\subset E\times\\{o^{\prime}\\}$ holds for a fixed $o^{\prime}\in K^{\prime}$ and any $i$. Splittings and isometric copies of polyhedra. The following lemmas and the corollary are the key ingredients in the proof. 3.2. Lemma. Let $X$ be a metric space, $p\in X$ and for each $i\in\nobreak\\{1,\dots,k\\}$ the ball $B_{i}=B(x_{i},r_{i})$, forms a conic neighborhoods of $x_{i}$. Assume $p\in B_{i}$ for each $i$. Then any conic neighborhood of $p$ splits in the direction of $[px_{1}],\dots,[px_{k}]$. In the proof we will use the following statement; its proof is left to the reader. 3.3. Proposition. Assume $K$ is a metric space which admits cone structures with different tips $x_{1},\dots,x_{k}$. Then $K$ is isometric to the product space $E\times K^{\prime}$, where $E$ is a Euclidean space and $K^{\prime}$ is a cone with tip $o^{\prime}$ and $x_{i}\in E\times\\{o^{\prime}\\}$ for each $i$. Proof of Lemma 3. Fix sufficiently small $\varepsilon>0$. For each point $x_{i}$, consider point $x_{i}^{\prime}\in[px_{i}]$ such that $|p-x_{i}^{\prime}|=\varepsilon{\hskip 0.5pt\cdot\hskip 0.5pt}|p-x_{i}|$. Since $\varepsilon$ is sufficiently small, we can assume that $x_{i}^{\prime}$ lies in the conic neighborhood of $p$. Note that for the right choice of parameters close to 1, the composition of homotheties with centers at $x_{i}$ and $p$ produce a homothety with center at $x_{i}^{\prime}$ and these are defined in a fixed conic neighborhood of $p$. (In particular it states that composition of homotheties of Euclidean space is a homothety; the proof is the same. The parameters are assumed to be chosen in such a way that $x_{i}^{\prime}$ stay fixed by the composition.) These homotheties can be extended to the cone $K_{p}$ at $p$ and taking their compositions we get the homotheties for all values of parameters with the centers at $\hat{x}^{\prime}_{i}=\log[px_{i}^{\prime}]\in K_{p}$. It remains to apply Proposition 3. ∎ From the Lemma 3, we get the following corollary. 3.4. Corollary. Let $X$ be a compact length space and $x\in X$. Suppose $B=\nobreak B(x,r)$ is a conic neighborhood of $x$ which splits in the direction of $[px_{1}],\dots\nobreak,[px_{k}]$ and $\iota\colon B\hookrightarrow E\times K^{\prime}$ be the corresponding embedding. Then the image $\iota(B)$ is a ball of radius $r$ centered at $\iota(x)\in E\times\\{o^{\prime}\\}$. In particular, for any point $q\in B$ such that $|q-p|_{X}=\rho$ and $\iota(q)\in E\times\\{o^{\prime}\\}$ the ball $B(q,r-\rho)$ is a conic neighborhood of $q$. 3.5. Lemma. Let $B_{i}=B(x_{i},r_{i})$, $i\in\\{0,\dots,k\\}$ be balls in the metric space $X$. Assume each $B_{i}$ forms a conic neighborhood of $x_{i}$ and $x_{i}\in B_{j}$ if $i\leqslant j$. Then $X$ contains a subset $Q$ which contains all $x_{i}$ and is isometric to a convex polyhedron. Moreover the geodesics in $Q$ do not bifurcate in $X$; i.e., if geodesic $\gamma\colon[a,b]\to X$ lies in $Q$ and an other geodesics $\gamma^{\prime}\colon[a,b]\to X$ coincides with $\gamma$ on some interval then $\gamma^{\prime}=\gamma$. To illustrate the second statement let us consider tripod $T$; i.e., 1-dimensional polyhedral space obtained from three intervals by gluing their left ends together. Let $Q$ be the union of two segments in $T$. Note that $Q$ forms a subset isometric to a real interval; i.e., $Q$ is isometric to 1-dimensional convex polyhedron. On the other hand, $Q$ does not satisfy the second condition since a geodesic can turn from $Q$ at the triple point. Proof. To construct $Q=Q_{k}$ we apply induction on $k$ and use the cone structures on $B_{i}$ with the tip at $x_{i}$ consequently. For the base case, $k=0$, we take $Q_{0}=\\{x_{0}\\}$. By the induction hypothesis, there is a set $Q_{k-1}$ containing all $x_{0},\dots,x_{k-1}$. Note that $B_{k}$ is strongly convex; i.e., any minimizing geodesic with ends in $B_{k}$ lies completely in $B_{k}$. In particular $Q_{k-1}\cap B_{k}$ is convex. Since $x_{i}\in B_{k}$ for all $i<k$, we may assume that $Q_{k-1}\subset B_{k}$. Note that the homothety $m_{k}^{\lambda}$ with center $x_{k}$ and $\lambda\leqslant 1$ is defined for all points in $B_{k}$. Set $Q_{k}=\left\\{\,\left.{m^{\lambda}_{k}(x)}\vphantom{x\in Q_{k-1}\ \text{and}\ \lambda\leqslant 1}\,\right|\,{x\in Q_{k-1}\ \text{and}\ \lambda\leqslant 1}\,\right\\}.$ Since $Q_{k-1}$ is isometric to a convex polytope, so is $Q_{k}$. To show that the geodesic $\gamma\colon[a,b]\to X$ in $Q$ can not bifurcate, it is sufficient to show that if $a<c<b$ then a neighborhood of $p=\gamma(c)$ splits in the direction of $\gamma$. The point $p$ can be obtained from from $x_{0}$ by a composition of homotheties $p=m_{k}^{\lambda_{k}}\circ\cdots\circ m_{1}^{\lambda_{1}}(x_{0}),$ where $0<\lambda_{i}\leqslant 1$. Set $m=m_{k}^{\lambda_{k}}\circ\cdots\circ m_{1}^{\lambda_{1}}(x_{0})$. We can assume $r_{0}$ to be sufficiently small so that $m$ is defined on $B_{0}$. By Lemma 3, $B_{0}$ splits in the directions of $[x_{0}x_{1}],\dots,[x_{0}x_{k}]$. Since $m$ rescales the distances by fixed factor, a neighborhood of $p$ also splits. Clearly the Euclidean factor in the image $m(B_{0})$ covers small neighborhood of $p$ in $Q$. Since $\gamma$ runs $Q$, a neighborhood of $p$ splits in the direction of $\gamma$. ∎ ## 4\. The proof The proof of Theorem 1 is based on the following lemma. 4.1. Lemma. Assume a length space $X$ is covered by finite number of sets such that each finite intersection of these sets is isometric to a convex polytope. Then $X$ is a polyhedral space. Proof. It is sufficient to show that if any metric space $X$ (not necessary length metric space) admits a cover as in the lemma then it admits a triangulation such that each simplex is isometric to a Euclidean simplex. Denote by $V_{1},\dots V_{n}$ the polytopes in the covering. Let $m$ be the maximal dimension of $V_{i}$. We will apply induction on $m$; the base case $m=0$ is trivial. Now assume $m>0$. Let $W_{1}\dots W_{k}$ denote all the faces of $V_{1},\dots V_{n}$ of dimension at most $m-1$. Note that the collection $W_{1}\dots W_{k}$ satisfies the assumption of the Lemma. Therefore by induction hypothesis, $X^{\prime}=\bigcup_{i}W_{i}$ admits the needed triangulation. It remains to extend this triangulation to each of the $m$-dimensional polytopes which $X^{\prime}$ cuts from $X$. The later is generously left to the reader. ∎ Proof of Theorem 1. We need to show the “if” part; the “only if” part is trivial. Fix a finite cover of $X$ by open balls $B_{i}=B(x_{i},r_{i})$, $i\in\\{0,\dots,n\\}$ such that for each $i$, the ball $5{\hskip 0.5pt\cdot\hskip 0.5pt}B_{i}$ forms a conic neighborhood of $x_{i}$. Given $i\in\\{0,\dots,n\\}$ and $z\in X$ set $f_{i}(z)=|x_{i}-z|_{X}^{2}-r_{i}^{2}.$ Clearly $f_{i}(z)<0$ if and only if $z\in B_{i}$. Set $f(z)=\min_{i}\\{f_{i}(z)\\}.$ It follows that $f(z)<0$ for any $z\in X$. Consider _Voronoi domains_ $V_{i}$ for the functions $f_{i}$; i.e., $V_{i}=\left\\{\,\left.{z\in X}\vphantom{f_{i}(z)\leqslant f_{j}(z)\ \text{for all}\ j}\,\right|\,{f_{i}(z)\leqslant f_{j}(z)\ \text{for all}\ j}\,\right\\}.$ From above we get that $V_{i}\subset B_{i}$ for each $i$.111It also follows that $V_{i}$ forms a _strongly convex subset_ of $X$; i.e., any minimizing geodesic in $X$ with ends in $V_{i}$ lies completely in $V_{i}$. This property is not needed in our proof, but it is used in the alternative proof; see the last section. Given a subset $\sigma\subset\\{0,\dots,n\\}$ set $V_{\sigma}=\bigcap_{i\in\sigma}V_{i}.$ Note that $V_{\\{i\\}}=V_{i}$ for any $i\in\\{0,\dots,n\\}$. Let $\mathcal{N}$ be the _nerve_ of the covering $\\{V_{i}\\}$; i.e., $\mathcal{N}$ is the abstract simplicial complex with $\\{0,\dots,n\\}$ as the set of vertexes and such that a subset $\sigma\subset\nobreak\\{0,\dots,n\\}$ forms a simplex in $\mathcal{N}$ if and only if $V_{\sigma}\neq\varnothing$. Let us fix a simplex $\sigma$ in $\mathcal{N}$. While $\sigma$ is fixed, we may assume without loss of generality that $\sigma=\\{0,\dots,k\\}$ for some $k\leqslant n$ and $r_{0}\leqslant r_{1}\leqslant\dots r_{k}$. In particular $2{\hskip 0.5pt\cdot\hskip 0.5pt}B_{i}\ni x_{0}$ for each $i\leqslant k$. From above $V_{\sigma}\subset B_{0}$. Since $5{\hskip 0.5pt\cdot\hskip 0.5pt}B_{i}$ is a conic neighborhood of $x_{i}$ and $2{\hskip 0.5pt\cdot\hskip 0.5pt}B_{i}\ni x_{0}$ for each $i\in\sigma$, we can apply Lemma 3 for the balls $5{\hskip 0.5pt\cdot\hskip 0.5pt}B_{0},\dots,5{\hskip 0.5pt\cdot\hskip 0.5pt}B_{k}$. Denote by $h\colon 5{\hskip 0.5pt\cdot\hskip 0.5pt}B_{0}\hookrightarrow E\times K$ the distance preserving embedding provided by this lemma. We can assume that the Euclidean factor $E$ has minimal possible dimension; i.e., the images $h(B_{0}\cap[x_{0}x_{i}])$ span whole $E$. In this case the projection of $h(V_{\sigma})$ on $E$ is a one- point set, say $\\{z\\}$. Denote by $x_{\sigma}\in B_{0}$ the point such that $h(x_{\sigma})=z$. Set $r_{\sigma}=r_{0}$ and $B_{\sigma}=B(x_{\sigma},r_{\sigma})$. (The point $x_{\sigma}$ plays the role of _radical center_ of the collection of balls $\\{B_{i}\\}_{i\in\sigma}$.) According to Corollary 3 the ball $4{\hskip 0.5pt\cdot\hskip 0.5pt}B_{\sigma}$ forms a conic neighborhood of $x_{\sigma}$. Clearly $B_{\sigma}\supset V_{\sigma}$. Let $\varphi$ and $\psi$ be faces of $\sigma$; in other words, $\varphi$ and $\psi$ are subsets in $\sigma=\\{0,\dots,k\\}$. Set $i=\min\varphi$ and $j=\min\psi$. Assume $i\geqslant j$, in this case $r_{\varphi}=r_{i}\geqslant r_{j}=r_{\psi}$. From above we get $x_{\varphi}\in B_{i}$, $x_{\psi}\in B_{j}$ and $x_{j}\in 2{\hskip 0.5pt\cdot\hskip 0.5pt}B_{i}$. Therefore $x_{\psi}\in 4{\hskip 0.5pt\cdot\hskip 0.5pt}B_{\varphi}$. Therefore Lemma 3 provides a subset, say $Q_{\sigma}$ isometric to a convex polyhedron and contains all $x_{\varphi}$ for $\varphi\subset\sigma$. It remains to show 1. (a) $X=\bigcup_{\sigma}Q_{\sigma}$, where the union is taken for all the simplices $\sigma$ in $\mathcal{N}$. 2. (b) The intersection of arbitrary collection of $Q_{\sigma}$ is isometric to a convex polytope. Once (a) and (b) are proved, Lemma 4 will finish the proof. Part (b) follows since the geodesics in $Q_{\sigma}$ do not bifurcate in $X$; see Lemma 3. Given $p\in X$, set $\sigma(p)=\left\\{\,\left.{i\in\\{0,\dots,n\\}}\vphantom{p\in V_{i}}\,\right|\,{p\in V_{i}}\,\right\\}.$ Note that $\sigma(p)$ forms a simplex in $\mathcal{N}$ and $p\in V_{\sigma(p)}$. Therefore $p\in B_{\sigma(p)}$. Recall that $B_{\sigma(p)}$ forms a conic neighborhood of $x_{\sigma(p)}$. If $p\neq x_{\sigma(p)}$ then moving $p$ away from $x_{\sigma(p)}$ in the radial direction keeps the point in $V_{\sigma(p)}$ till the moment it hits a new Voronoi domain, say $V_{j}$ with $j\notin\sigma(p)$. Denote this end point by $p^{\prime}$. In other words, $p^{\prime}$ is the point such that 1. (i) $p$ lies on the geodesic $[x_{\sigma(p)}p^{\prime}]$; 2. (ii) $p^{\prime}\in V_{i}$ for any $i\in\sigma(p)$; 3. (iii) the distance $|x_{\sigma(p)}-p^{\prime}|_{X}$ takes the maximal possible value. $x_{2}$$x_{1}$$x_{3}$$p_{0}$$p_{1}$$p_{2}=x_{\\{1,2,3\\}}$$x_{\\{1,2\\}}$$V_{1}$ Start with arbitrary point $p$ and consider the recursively defined sequence $p=p_{0},p_{1},\dots$ such that $p_{i+1}=p_{i}^{\prime}$. Note that $\sigma(p)$ forms a proper subset of $\sigma(p^{\prime})$. It follows that the sequence $(p_{i})$ terminates after at most $n$ steps; in other words $p_{k}=x_{\sigma(p_{k})}$ for some $k$. In particular $p_{k}\in Q_{\sigma(p_{k})}$. By construction it follows that $p_{i}\in Q_{\sigma(p_{k})}$ for each $i\leqslant k$. Hence $p\in Q_{\sigma(p_{k})}$; i.e., (a) follows. ∎ ## 5\. Final remarks Finite dimensional case. Let $X$ be a compact length space such that each point $x\in X$ admits a conic neighborhood. Note that from Theorem 1, it follows in particular that dimension of $X$ is finite. If we know a priori the dimension (topological or Hausdorff) of $X$ is finite then one can build an easier proof using induction on the dimension which we are about to indicate. Consider the Voronoi domains $V_{i}$ as in the beginning of proof of Theorem 1. Note that all $V_{i}$ are convex and $\operatorname{dim}V_{\\{i,j\\}}<\operatorname{dim}X$ if $i\neq j$. By induction hypothesis we can assume that all $V_{\\{i,j\\}}$ are polyhedral spaces. Cover each $V_{\\{i,j\\}}$ by isometric copies of convex polyhedra satisfying Lemma 4. Applying the cone construction with center $x_{i}$ over these copies in $V_{\\{i,j\\}}$ for all $i\neq j$, we get a covering of $X$ by a finite number of copies of convex polyhedra such that all their finite intersections are isometric to convex polyhedra. It remains to apply Lemma 4. Spherical and hyperbolic polyhedral spaces. Analogous characterization holds for spherical and hyperbolic polyhedral spaces. One needs to use spherical and hyperbolic rules of cosine in the definition of cone; after that proof goes without any changes. Locally compact case. One may define polyhedral space as a complete length space which admits a locally finite triangulation such that each simplex is isometric to a simplex in Euclidean space. In this case a locally compact length space is polyhedral if every point admits a conic neighborhood. The proof is the same. One more curvature free result. Our result is curvature free — we do not make any assumption on the curvature of $X$. Besides our theorem, we are aware about only one statement of that type — the polyhedral analog of Nash–Kuiper theorem. It states that any distance nonexpanding map from $m$-dimensional polyhedral space to the Euclidean $m$-space can be approximated by a piecewise distance preserving map to the Euclidean $m$-space. In full generality this result was proved recently by Akopyan [1], his proof is based on earlier results obtained by Zalgaller [8] and Krat [3]. Akopyan’s proof is sketched in the lecture notes of the second author [7]. ## References * [1] Akopyan, A. V., A piecewise linear analogue of Nash–Kuiper theorem, a preliminary version (in Russian) can be found on www.moebiuscontest.ru * [2] Freedman, M. H,. The topology of four-dimensional manifolds. J. Differential Geom. 17 (1982), no. 3, 357--453. * [3] Krat, S. Approximation problems in Length Geometry, Thesis, 2005 * [4] Lebedeva, N., Number of extremal subsets in Alexandrov spaces and rigidity. Electron. Res. Announc. Math. Sci. 21 (2014), 120--125. * [5] Lebedeva, N., Alexandrov spaces with maximal number of extremal points, to appear in Geometry and Topology (2015), arXiv:1111.7253. * [6] Milka, A. D. Multidimensional spaces with polyhedral metric of nonnegative curvature. I. (Russian) Ukrain. Geometr. Sb. Vyp. 5--6 1968 103--114. * [7] Petrunin, A.; Yashinski, A. Piecewise distance preserving maps. to appear in St. Petersburg Mathematical Journal, arXiv:1405.6606. * [8] Zalgaller, V. A. Isometric imbedding of polyhedra. (Russian) Dokl. Akad. Nauk SSSR 123 1958 599--601.
arxiv-papers
2014-02-26T20:26:31
2024-09-04T02:49:58.971337
{ "license": "Public Domain", "authors": "Nina Lebedeva and Anton Petrunin", "submitter": "Anton Petrunin", "url": "https://arxiv.org/abs/1402.6670" }
1402.6719
# High-Time-Resolution Measurements of the Polarization of the Crab Pulsar at 1.38 GHz Agnieszka Słowikowska11affiliation: Kepler Institute of Astronomy, University of Zielona Góra, Lubuska 2, 65-265 Zielona Góra, Poland , Benjamin W. Stappers22affiliation: Jodrell Bank Centre for Astrophysics, University of Manchester, Manchester M13 9PL, UK , Alice K. Harding33affiliation: Astrophysics Science Division, NASA Goddard Space Flight Center, Greenbelt, MD 20771, USA , Stephen L. O’Dell44affiliation: Astrophysics Office, NASA Marshall Space Flight Center, ZP12, Huntsville, AL 35812, USA , Ronald F. Elsner44affiliation: Astrophysics Office, NASA Marshall Space Flight Center, ZP12, Huntsville, AL 35812, USA , Alexander J. van der Horst55affiliation: Astronomical Institute, University of Amsterdam, Science Park 904, 1098 XH Amsterdam, The Netherlands , Martin C. Weisskopf44affiliation: Astrophysics Office, NASA Marshall Space Flight Center, ZP12, Huntsville, AL 35812, USA ###### Abstract Using the Westerbork Synthesis Radio Telescope (WSRT), we obtained high-time- resolution measurements of the full (linear and circular) polarization of the Crab pulsar. Taken at a resolution of 1/8192 of the 34-ms pulse period (i.e., $4.1~{}\mu{\rm s}$), the 1.38-GHz linear-polarization measurements are in general agreement with previous lower-time-resolution 1.4-GHz measurements of linear polarization in the main pulse (MP), in the interpulse (IP), and in the low-frequency component (LFC). We find the MP and IP to be linearly polarized at about $24\%$ and $21\%$, with no discernible difference in polarization position angle. However, and contrary to theoretical expectations and measurements in the visible, we find no evidence for significant variation (sweep) in polarization position angle over the MP, the IP, or the LFC. Although, the main pulse exhibits a small but statistically significant quadratic variation in the degree of linear polarization. We discuss the implications which appear to be in contradiction to theoretical expectations. In addition, we detect weak circular polarization in the main pulse and interpulse, and strong ($\approx 20\%$) circular polarization in the low- frequency component, which also exhibits very strong ($\approx 98\%$) linear polarization at a position angle about $40^{\circ}$ from that of the MP or IP. The pulse-mean polarization properties are consistent with the LFC being a low-altitude component and the MP and IP being high-altitude caustic components. Nevertheless, current models for the MP and IP emission do not readily account for the observed absence of pronounced polarization changes across the pulse. Finally, we measure IP and LFC pulse phases relative to the MP that are consistent with recent measurements, which have shown that the phases of these pulse components are evolving with time. neutron stars: general — pulsars: individual — Crab pulsar (catalog ) (PSR B0531+21) (catalog ) — polarization ††slugcomment: Version 16: 2014.10.20 ## 1 Introduction The Australia Telescope National Facility Pulsar Catalog (Manchester et al., 2005) lists over 2300 radio pulsars. Several radio studies (e.g., Gould & Lyne, 1998; Karastergiou & Johnston, 2006; Weltevrede & Johnston, 2008) have measured the polarization for many of these pulsars. Radio pulsars typically show moderate-to-strong linear polarization ($p_{L}$), being stronger for those of higher spin-down energy-loss rate (Weltevrede & Johnston, 2008, Figure 8). The linear polarization sometimes exhibits a characteristic swing or sweep of the position angle in an S-like shape near the pulse center, which is routinely interpreted in terms of the rotating vector model (RVM, Radhakrishnan & Cooke, 1969). For this model the point of emission is assumed to be in the polar cap region of the pulsar where a dipolar magnetic-field line points with a small angle (beamwidth) towards the observer. The two free parameters of this simple model are the angle between the axes of rotation and the orientation of the magnetic dipole, and the view angle between the line of sight and the rotation axis. The variation of the radio position angle from some pulsars (e.g., Lyne & Graham-Smith, 2006, and references therein) can be described by this model. The Crab pulsar, the compact remnant of SN1054, and its pulsar wind nebula (PWN) are amongst the most intensively studied objects in the sky. The pulsar is one of the youngest and most energetic and its pulsed emission has been detected from 10 MHz (Bridle, 1970) up to 400 GeV by VERITAS (Aliu et al., 2011) and by MAGIC (Aleksić et al., 2012). The PWN is detected at energies up to 100 TeV (Aharonian et al., 2004, 2006; Allen & Yodh, 2007; Abdo et al., 2012). Both the pulsar and nebula are predominantly sources of non-thermal radiation (synchrotron, curvature, and Compton processes), indicated not only by the broadband spectral continua but also by strong polarization in many wavelength bands (Lyne & Graham-Smith, 2006; Bühler & Blandford, 2013). In the visible band, spatially-resolved polarimetry of the nebula, which began over a half century ago (Oort & Walraven, 1956; Woltjer, 1957), continues (e.g., Moran et al., 2013b, and references therein). Owing to its brightness, phase-resolved optical polarimetry of the pulsar has also been possible (Jones et al., 1981; Smith et al., 1988; Słowikowska et al., 2009). However, phase- resolved X- and $\gamma$-ray polarimetry measurements of the Crab pulsar require space-based instruments, which have had limited sensitivity. OSO-8 observations (Silver et al., 1978) of the Crab established only upper limits to the X-ray (2.6-keV and 5.2-keV) polarization of the pulsed emission. INTEGRAL IBIS observations (Forot et al., 2008; Moran et al., 2013a) also detect no significant pulsed $\gamma$-ray (200–800-keV) polarization, although the off-pulse emission appears highly linearly polarized and is possibly associated with structures close to the pulsar rather than with the pulsar itself. The Crab pulsar’s light curve exhibits different features at different wavelengths, but it is currently the only pulsar for which the principal features persist over all wavelengths, from radio to $\gamma$-ray. There are two principal components—the main pulse (MP) and the interpulse (IP). This double-peak structure remains more-or-less phase-aligned over all spectral bands (Moffett & Hankins, 1996; Kuiper et al., 2001). One of several additional features in the radio band is the low-frequency component (LFC, e.g., Moffett & Hankins 1996; 1999), having very low amplitude and occurring $\approx 0.10$ fractional pulse phase ($36^{\circ}$) before the MP. This component is most prominent around 1.4 GHz, in contrast with the “precursor” component (Moffett & Hankins, 1996), which precedes the MP by $\approx 0.05$ fractional pulse phase ($19^{\circ}$) at 0.327 and 0.610 GHz (Table 2 of Backer, Wong & Valanju, 2000). The MP and IP appear at roughly the same pulse phase from radio to $\gamma$-ray wavelengths, suggesting that their emission originates from a similar location in the magnetosphere at all wavebands. Modeling of $\gamma$-ray light curves from the many pulsars observed by the Fermi Gamma- ray Space Telescope (Abdo et al., 2013) strongly indicates that the high- energy emission originates in the outer magnetosphere, at altitudes comparable to the light-cylinder radius (Romani & Watters, 2010; Pierbattista et al., 2014; Bai & Spitkovsky, 2010). Outer magnetosphere emission models, such as the outer-gap (Romani & Yadigaroglu, 1995), slot-gap (Muslimov & Harding, 2004), and current-sheet (Pétri & Kirk, 2005) had been proposed and studied prior to the Fermi observations, but their emission geometry seems to account for the characteristics and variety of observed $\gamma$-ray light curves. In addition, Fermi has discovered a number of $\gamma$-ray millisecond pulsars whose radio peaks are nearly aligned with their $\gamma$-ray peaks (e.g., Espinoza et al., 2013), like the Crab. Modeling both $\gamma$-ray and radio light curves of these pulsars with the same outer magnetosphere emission models used to model young pulsars has suggested that their radio emission may originate from very high altitudes (Venter et al., 2012). Thus, in this paper we compare the phase-resolved radio polarization observations (§2) that we have analyzed (§3) with such models (§4). Manchester (1971) measured the linear polarization of the Crab pulsar’s MP and precursor components at two radio frequencies. The 0.410-GHz measurements found the MP to be $20\%$ linearly polarized at position angle $140^{\circ}$ and the precursor to be $80\%$ linearly polarized at position angle $140^{\circ}$. The 1.664-GHz measurements found the MP to be $24\%$ linearly polarized at position angle $60^{\circ}$ and the precursor to be completely absent. As these measurements had rather large uncertainties and were obtained with a time resolution $1/256$ of the pulse period, they were quite limited for detecting variation of the linear polarization degree or position angle within a feature. However, Manchester noted a suggestion of rotation of the 1.664-GHz polarization position angle by about $30^{\circ}$ through the MP. More recently, Moffett & Hankins (1999) examined the pulse-profile morphology and polarization properties at three radio frequencies—1.424 GHz, 4.885 GHz, and 8.435 GHz—with a time resolution of $256~{}\mu{\rm s}$ (about $1/130$ of the pulse period). The 1.424-GHz measurements found the MP to be $25\%$ linearly polarized at position angle $120^{\circ}$; the IP, $20\%$ at position angle $120^{\circ}$; and the LFC, $45\%$ at position angle $155^{\circ}$. Moffett & Hankins note that the polarization position angle “changes across the full period, although not significantly within components”. Here we first report our observations (§2), using the Westerbork Synthesis Radio Telescope (WSRT) in the Netherlands, of the full (linear and circular) 1.38-GHz polarization of the Crab pulsar, at high time resolution. We then describe the polarimetry analysis and results (§3 and Appendix A) for the three pulse components, with a primary objective of determining the sweep of the position angle across each. Next we discuss the implications (§4) of our measurements and analysis upon theoretical models for the pulsar emission. Finally, we summarize our conclusions (§5). ## 2 The Observations The WSRT observations, on 2011 August 8, used 14 25-m-diameter dishes combined coherently to form the equivalent of a 94-m dish for pulsar observations. Owing to the interferometric nature of the WSRT, the observations partially resolve out the radio-bright Nebula, thus improving sensitivity over typical single-dish observations. Moreover, as the WSRT is an equatorially mounted telescope, there is no need to correct for parallactic angle. To combine coherently the dishes, correlated data from observation of a bright calibrator source is used to determine phase delays amongst dishes. This is accomplished using initially an unpolarized calibrator to determine delays between the two linear polarizations separately, followed by observation of a polarized calibrator to determine any residual delays between the two polarizations. These procedures accurately calibrate the relative fluxes in the four Stokes parameters—hence, the polarization properties—but not the absolute flux. Consequently, we express the Stokes measurements (e.g., Figure 2) in arbitrary units. The PuMa-II (Karuppusamy et al., 2008) pulsar back-end was used to record Nyquist-sampled voltages at 8-bit resolution, across a 160-MHz band centered on 1380 MHz, for PSRs B0531+21 (Crab) and B0355+54, for a total of 144 and 18 minutes, respectively. The data were subsequently coherently de-dispersed and folded using the DSPSR (van Straten & Bailes, 2011) software package. Polarization profiles were formed after correcting for (frequency-dependent) interstellar Faraday rotation (rotation measure RM = $-42.3\pm 0.5~{}\rm{rad~{}m^{-2}}$) of the position angle, using the PSRCHIVE software package (van Straten et al., 2012). The polarization calibration was already carried out when forming the coherent sum of the dishes, nevertheless PSR B0355+54 was observed to verify that no further polarization calibration was required. Comparison with the profile observed by Gould & Lyne (1998) showed that the polarization calibration matched exactly. The Crab-pulsar profile was folded using the Jodrell Bank Ephemeris111http://www.jb.man.ac.uk/pulsar/crab.html with 8192 bins (about 4.1 $\mu$s/bin) across the pulse profile, matching the time resolution of the data after dividing into frequency channels and coherently de-dispersing. This time resolution was chosen also to match approximately the minimum broadening caused by scattering of the Crab pulsed emission by free electrons in the Crab Nebula (e.g., Backer, Wong & Valanju, 2000; Kuzmin et al., 2008). Four Stokes parameters $I\times 10^{3}$, $Q\times 10^{4}$, $U\times 10^{4}$, and $V\times 10^{4}$ (arbitrary units) as functions of pulse phase $\varphi$, where the peak of the main pulse (MP) defines $\varphi=0$. The coordinate system for the Stokes parameters here sets $U=0$ and $Q<0$ for the MP. Figure 2 displays our measurement of the four Stokes parameters $I$, $Q$, $U$, and $V$—which fully characterize the polarization—folded on the pulse period. Unfortunately, we were unable to determine the absolute polarization position angle for the Crab pulsar observation. Instead, we selected a coordinate system for the Stokes parameters such that the MP has $U=0$ and $Q<0$. Inspection of Figure 2 immediately shows that our 1.38-GHz observations detect the flux and polarization of three components—MP, IP, and LFC. Like the MP, the IP has $U\approx 0$ and $Q<0$; but the LFC has $U<0$ and $Q\approx 0$: Thus, the polarization position angles for the MP and the IP are roughly equal but differ from that of the LFC by about $40^{\circ}$ (cf. Eq. 2). Similarly, but less obviously, the circular polarization of the MP and the IP are comparable, but that of the LFC has opposite polarity. ## 3 Analysis and Results The Stokes parameters have the virtues that they are statistically independent, typically exhibit Gaussian errors, and are directly superposable—i.e., each Stokes component ($I$, $Q$, $U$, or $V$) for multiple sources is the sum of the respective Stokes component for each source. These properties follow from the fact that the Stokes parameters describe the polarization state in Cartesian-like coordinates. This has the added virtue that there is no coordinate singularity at the origin, as occurs for polar- like coordinates—such as linear-polarization degree $p_{L}$ and position angle $\psi$. Consequently, we perform all statistical analyses and model fitting (Appendix A) on (pre-processed, Appendix A.1) raw Stokes data. It is, of course, straightforward to transform to more customary parameters—e.g., linear-polarization degree $p_{L}$ (Eq. 1), position angle $\psi$ (Eq. 2), and circular-polarization (signed) degree $p_{C}$ (Eq. 3): $p_{L}=\sqrt{(Q^{2}+U^{2})}/I;$ (1) $\psi=\frac{1}{2}\tan^{-1}(U/Q);$ (2) $p_{C}=V/I.$ (3) For the three pulse features (MP, IP, and LFC), we estimate $p_{L}(\varphi_{n})$, $\psi(\varphi_{n})$, and $p_{C}(\varphi_{n})$ at each datum $n$ by substituting the measured $I_{n}$, $Q_{n}$, $U_{n}$, and $V_{n}$ into Equations 1, 2, and 3. Direct estimate of customary polarization parameters of the main pulse versus the phase-angle offset $\Delta\varphi$ from the MP center. From the top, the plots display measured intensity $I$ data and then directly calculated fractional linear polarization $p_{L}$, position angle $\psi$, and fractional circular polarization $p_{C}$. The smooth solid lines show the best-fit phase- dependent polarization properties based upon forward modeling of the Stokes data (Table 1). Direct estimate of customary polarization parameters of the interpulse versus the phase-angle offset $\Delta\varphi$ from the IP center. From the top, the plots display measured intensity $I$ data and then directly calculated fractional linear polarization $p_{L}$, position angle $\psi$, and fractional circular polarization $p_{C}$. The smooth solid lines show the best-fit phase- dependent polarization properties based upon forward modeling of the Stokes data (Table 1). Figures 3 and 3 display the direct estimates of $I_{n}$, $p_{L\,n}$, $\psi_{n}$, and $p_{C\,n}$ over the MP and IP, respectively. As the LFC is quite weak relative to the MP and the IP, the plots for the LFC are too noisy to display legibly. Even for the stronger features—MP and IP—the RMS noise in the directly calculated polarization parameters ($p_{L\,n}$, $\psi_{n}$, and $p_{C\,n})$, which serves as an estimator of the statistical error, substantially increases away from the pulse center due to the low signal-to- noise ratio per sample in the pulse wings. In order to deal effectively with low-signal-to-noise data in the wings of the MP and IP and throughout the (weaker) LFC, we adopt a more rigorous forward-modeling approach to fit the measured Stokes data to the modeled $I(\varphi)$, $Q(\varphi)$, $U(\varphi)$, and $V(\varphi)$: $Q(\varphi)=I(\varphi)p_{L}(\varphi)\cos(2\psi(\varphi));$ (4) $U(\varphi)=I(\varphi)p_{L}(\varphi)\sin(2\psi(\varphi));$ (5) $V(\varphi)=I(\varphi)p_{C}(\varphi).$ (6) Appendix A describes in some detail our approach for fitting polarization models to the Stokes data. As Figures 3 and 3 indicate that neither $p_{L}(\varphi)$, $\psi(\varphi)$, nor $p_{C}(\varphi)$ varies rapidly across the pulse profile, the approach simply models $p_{L}(\varphi)$, $\psi(\varphi)$, and $p_{C}(\varphi)$ as Taylor-series expansions in the phase-angle offset $\Delta\varphi\equiv(\varphi-\varphi_{0})$ from the center $\varphi_{0}$ of the respective pulse feature (MP, IP, or LFC). Table 1 tabulates the best-fit Taylor-expansion coefficients for the polarization dependence upon phase-angle offset: $p_{L}(\varphi)=p_{L0}+p^{\prime}_{L0}(\varphi-\varphi_{0})+\frac{1}{2}p^{\prime\prime}_{L0}(\varphi-\varphi_{0})^{2};$ (7) $\psi(\varphi)=\psi_{0}+\psi^{\prime}_{0}(\varphi-\varphi_{0})+\frac{1}{2}\psi^{\prime\prime}_{0}(\varphi-\varphi_{0})^{2};$ (8) $p_{C}(\varphi)=p_{C0}+p^{\prime}_{C0}(\varphi-\varphi_{0})+\frac{1}{2}p^{\prime\prime}_{C0}(\varphi-\varphi_{0})^{2}.$ (9) Table 1: Best-fit polarization coefficients for the MP, IP, and LFC, using a single Gaussian for each pulse profile and up-to-quadratic variations in polarization functions $p_{L}(\varphi)$, $\psi(\varphi)$, and $p_{C}(\varphi)$. Parameter | Units | MP | IP | LFC ---|---|---|---|--- $\varphi_{0}-\varphi_{\rm MP}$ | ∘ | $\equiv 0$ | $145.389\pm 0.027$ | $-37.75\pm 0.19$ $p_{L0}$ | $\%$ | $22.98\pm 0.30$ | $21.3\pm 1.0$ | $98.2\pm 6.7$ $p^{\prime}_{L0}$ | $\%/^{\circ}$ | $-0.31\pm 0.19$ | $1.02\pm 0.62$ | $-0.8\pm 2.2$ $p^{\prime\prime}_{L0}$ | $\%/^{\circ}/^{\circ}$ | $0.88\pm 0.22$ | $-0.02\pm 0.63$ | $0.0\pm 1.3$ $\psi_{0}-\psi_{\rm MP}$ | ${}^{\circ}{\rm PA}$ | $\equiv 0$ | $-0.1\pm 1.3$ | $40.8\pm 1.5$ $\psi^{\prime}_{0}$ | ${}^{\circ}{\rm PA}/^{\circ}$ | $-0.16\pm 0.20$ | $0.82\pm 0.78$ | $-0.16\pm 0.49$ $\psi^{\prime\prime}_{0}$ | ${}^{\circ}{\rm PA}/^{\circ}/^{\circ}$ | $-0.06\pm 0.21$ | $1.00\pm 0.89$ | $-0.21\pm 0.28$ $p_{C0}$ | $\%$ | $-1.25\pm 0.20$ | $-3.15\pm 0.94$ | $20.5\pm 4.9$ $p^{\prime}_{C0}$ | $\%/^{\circ}$ | $0.01\pm 0.13$ | $0.38\pm 0.56$ | $0.3\pm 1.7$ $p^{\prime\prime}_{C0}$ | $\%/^{\circ}/^{\circ}$ | $-0.20\pm 0.15$ | $0.47\pm 0.57$ | $-0.49\pm 0.97$ An important conclusion of this study is that the Stokes data are consistent—within statistical uncertainties—with constant polarization position angle $\psi$ across each of the three pulse features (MP, IP, and LFC) individually. However, the MP does exhibit a small but statistically significant quadratic variation in the linear-polarization degree $p_{L}$. While our 1.380-GHz polarimetry of the Crab pulsar has finer time resolution and better statistical accuracy than previous 1.424-GHz polarimetry (Moffett & Hankins, 1999), measured values for the polarization degree and position angle (relative to MP) are mostly similar for the MP and for the IP. The only significant difference is for the LFC’s linear polarization degree and position angle. We measured nearly total ($98\%\pm 7\%$) linear polarization at a $+40.8^{\circ}\pm 1.5^{\circ}$ position-angle offset from the MP, whereas Moffett & Hankins (1999) found the LFC to be $\approx 40\%$ linearly polarized at a $\approx+30^{\circ}$ position-angle offset from the MP. We also detect circular polarization, which is moderately strong in the LFC ($20.5\pm 4.9\%$) but weak and opposite polarity in the MP ($-1.3\%\pm 0.2\%$) and in the IP ($-3.2\%\pm 0.9\%$). In contrast with Moffett & Hankins, we find no significant variation in the circular polarization across any of the three pulse components MP, IP, and LFC. Another important conclusion—albeit peripheral to the polarimetry—relates to substructure in the pulse profile of the MP. The fine time resolution and better statistical accuracy of our radio observation of the Crab pulsar resulted in measurement of statistically significant substructure (Appendix A.3) in the profile of the main pulse (Figure 3). The typical width of the substructure is roughly $10\ \mu$s—i.e., $\leq 0.1$ the width of the MP profile. As the current analysis utilizes the sum of all data collected during the observation at a single epoch (2011 August 8), we have not assessed the temporal behavior of the profile. However, we presume that this substructure results from sporadic, very strong giant radio pulses (Bhat et al., 2008; Karuppusamy et al., 2010; Majid et al., 2011; Hankins et al., 2003) occurring during the 144-minute observation. Although the substructure is readily apparent in the $I$ profile of the MP, the discernible subpulses contribute only about $5\%$ of the fluence in the MP over the observation. However, they likely result from only the strongest giant radio pulses in a distribution of pulse amplitudes. Note that our conclusions as to the average pulse-phase dependences of the polarimetry are effectively independent of the precise modeling of the intensity profile of the MP. On the other hand, inspection of the Stokes parameters (Figure 3) or polarization parameters (Figure 3) indicates that the polarization of some of the subpulses (e.g., at phase offset $\Delta\varphi\approx-2.3^{\circ}$) differs substantially from the average polarization of the MP. We also note that our WSRT-measured pulse-phase offsets of the IP and of the LFC from the MP are in good agreement with contemporaneous measurements at Jodrell Bank (Lyne et al., 2013). This tends to support the conclusion of Lyne et al. (2013) that the phase separations of the IP and of the LFC from the MP are evolving with time. Furthermore, the evolution of phase separations might contribute to the difference between our measurement of the LFC’s polarization and earlier measurements (Moffett & Hankins, 1999). Stokes data $I$, $Q$, $U$, and $V$ versus pulse phase offset $\Delta\varphi$ from the center of the main pulse (MP). The lines represent the best-fit (minimum-$\chi^{2}$) Stokes functions for a multi-Gaussian profile and up-to- second-order variations in linear-polarization degree, position angle, and circular-polarization degree. The pulse profile comprises 2 broad and 4 narrow Gaussians. ## 4 Implications for Theoretical Models Emission at altitudes comparable to the light-cylinder radius produce caustic peaks, formed by cancellation of phase differences due to aberration and retardation with that due to field-line curvature of radiation along the trailing magnetic-field lines (Dyks & Rudak, 2003). In outer-magnetosphere models, peaks in the light curves form when the observer’s sight line sweeps across one or more bright caustic. The caustics display distinct linear- polarization characteristics (Dyks et al., 2004), including fast sweeps of position angle and dips in polarization degree at the peaks, which are caused by piling up radiation emitted over a large range of altitudes and magnetic- field directions into the caustics. These characteristics are in fact seen in the optical polarization of the Crab pulsar (Słowikowska et al., 2009), which exhibits rapid swings of position angle across both the MP and IP, as well as dips in polarization degree to the 5% level on the trailing edge of each peak. From the results presented in this paper, however, the characteristics of the radio linear polarization of the MP and IP resemble neither those of caustics in existing geometric models nor those observed in the optical emission. The lack of position-angle swing in the radio MP and IP is in stark contrast to the rapid position-angle swings in the optical. The very low circular polarization and moderate linear polarization observed here in the radio MP and IP are consistent with caustics, but the observed linear-polarization values ($\approx 22\%$) in the radio are significantly higher than those in the optical, and there is only a small variation with phase in the MP. On the other hand, the radio pulses are much narrower than the optical pulses, indicating that the radio MP and IP may originate along a smaller range of altitudes and/or in a subset of field lines. We have modeled the caustic emission and corresponding linear-polarization degree $p_{L}$ and position angle $\psi$ for the Crab pulsar, with a simulation using geometric renditions of standard slot-gap and outer-gap emission. These geometric emission models assume constant emissivity in the corotating frame along a set of field lines within the gaps, defined by a gap width $w$ across field lines in open-volume coordinates (Dyks et al., 2004), where the width is a fraction of radius of open magnetic field lines. As in Dyks et al. (2004), the emission is assumed to occur over a fixed radius range, from minimum $r_{\rm min}$ to maximum $r_{\rm max}$. For the simulations of Crab polarization here, we explored gap widths $w=0.002,0.01,0.02,0.05$, $r_{\rm min}=0.3-0.9\,R_{\rm LC}$ and $r_{\rm max}=0.5-1.2\,R_{\rm LC}$, where $R_{\rm LC}=c/\Omega$ is the light-cylinder radius. These are smaller ranges of altitude and smaller gap widths than in standard slot-gap or outer-gap models used in Dyks et al. (2004), which were $r_{\rm min}=R_{\rm NS}$, $r_{\rm max}=0.95\,R_{\rm LC}$ for the slot gap and $r_{\rm min}=R_{\rm NC}$, $r_{\rm max}=0.97\,R_{\rm LC}$ for the outer gap. Here $R_{\rm NS}$ is the neutron star radius and $R_{\rm NC}$ is the radius of the null-charge surface, at which the magnetospheric charge density in the corotating frame $\rho_{0}=\mathbf{\Omega\cdot B}/(2\pi c)$ vanishes. We simulated emission using both retarded-vacuum-dipole (Deutsch, 1955), as in Dyks et al. (2004), and force-free (Contopoulos & Kalapotharakos, 2010) magnetic-field geometries, as in Harding et al. (2011). Then we computed light curves and Stokes parameters for magnetic inclination angles $\alpha=45^{\circ}-80^{\circ}$, with $5^{\circ}$ resolution for vacuum and $15^{\circ}$ resolution for force-free magnetospheres, and observer viewing angles $\zeta=55^{\circ}-80^{\circ}$ (both with respect to the rotation axis). These ranges of $\alpha$ and $\zeta$ bracket the viewing angle of $60^{\circ}-65^{\circ}$ suggested by modeling of the X-ray torus (Ng & Romani, 2008). Following Dyks et al. (2004), Blaskiewicz et al. (1991), and Hibschman & Arons (2001), we assume that the photon electric-field vector is parallel to the electron acceleration at each point along the field line to determine the Stokes parameters. Although simulated light curves for the smaller gap widths produce narrower caustic peaks with less position-angle swing and depolarization, it is difficult to produce both $\psi(\varphi)$ and $p_{L}(\varphi)$ curves with no variation through the peaks. We compared a range of simulated light curves, $p_{L}$ and $\psi$ to the ones observed, and found that none of the models agree with the data. For the vacuum magnetospheres, the slot-gap model can produce appropriately narrow peaks for $w<0.01$, but there is always some change in $\psi$ through both the MP and IP. At $\zeta=60^{\circ}$, there are dips in $p_{L}$ at only the first peak for $\alpha<75^{\circ}$ and dips at both peaks for $\alpha>75^{\circ}$. The outer-gap model produces a change in $\psi$ mostly in the IP but dips in $p_{L}$ in both peaks. While the force- free geometry, whose poloidal field lines are straighter than those in vacuum, can give a flatter position angle for certain inclination and viewing angles, the model’s $p_{L}$ shows strong variation through the peaks in contradiction with the data. For the force-free magnetospheres, the slot-gap model produces much less change in $\psi$ at the peaks for $\zeta=55^{\circ}-65^{\circ}$ and $\alpha=45^{\circ}-75^{\circ}$, but still not constant as observed. There is also a high level of depolarization in both peaks but $p_{L}$ is not constant through the peaks, as in the data. The outer gap in the force-free magnetosphere also produces changes in $\psi$ and $p_{L}$ in both peaks for these same ranges of $\alpha$ and $\zeta$. For comparison with our measurement of the phase-resolved polarization properties of the Crab pulsar, we simulated 66 total (48 vacuum and 18 force- free) cases. Based upon inspection of the results of these numerous simulated cases, the model light curve and polarization characteristics that seem to resemble most the Crab pulsar radio data is for the case of the slot-gap model in the force-free magnetosphere with $\alpha=45^{\circ}$ and $\zeta=60^{\circ}$. Figure 4 displays the results for this model for the MP. Note that this model does predict a rapid swing in polarization position angle and degree which we do not see; however, these swings occur on the preceding wing of the pulse, when the intensity is very low. Predicted relative variation through the MP of the intensity $I$ (red), linear polarization degree $p_{L}$ (green), and position angle $\psi$ (blue) for the slot-gap model, with a force-free magnetosphere. For this case, the magnetic inclination angle $\alpha=45^{\circ}$ and observer viewing angle $\zeta=60^{\circ}$ with respect to the spin axis. The ordinate range 0–1 corresponds to zero to peak intensity for $I$, 0%–100% polarization for $p_{L}$, and $-90^{\circ}$ to $90^{\circ}$ for $\psi$. In order to explore the possibility that the linear-polarization degree $p_{L}$ or position angle $\psi$ changes sharply in the preceding wing of the MP (as in Figure 4), we fit the Stokes data to a simple model of a step jump in the values of $p_{L}$ and of $\psi$ at a pulse phase $\varphi_{\rm step}$. $p_{L}(\varphi)=p_{L0}+\Delta p_{L}\;\Theta(\varphi_{\rm step}-\varphi);$ (10) $\psi(\varphi)=\psi_{0}+\Delta\psi\;\Theta(\varphi_{\rm step}-\varphi).$ (11) Here, $p_{L0}$ and $\psi_{0}$ are the best-fit values for constant linear- polarization degree and position angle; $\Delta p_{L}$ and $\Delta\psi$, the pre-step differences in the value of each; and $\Theta(\varphi_{\rm step}-\varphi)$, the unit step distribution ($=1$ for $\varphi<\varphi_{\rm step}$, 0 otherwise). Figure 4 shows the best-fit differences and their (1-sigma) uncertainties as functions of pulse phase of the step (relative to pulse center). From this analysis, we conclude that any position-angle swing must be small—$|\Delta\psi|<10^{\circ}$ for $\varphi_{\rm step}>-3.5^{\circ}$. A large position-angle swing—$|\Delta\psi|>45^{\circ}$, say—is consistent with the data (but not required) only for $\varphi_{\rm step}<-4^{\circ}$. Note that the analysis requires $\Delta p_{L}>0$ for $\varphi_{\rm step}\geq-2.5^{\circ}$ (and allows it for earlier $\varphi_{\rm step}$), as this analysis does not include the small positive second derivative $p^{\prime\prime}_{L0}$ in the linear-polarization degree, which the Taylor- expansion fit to the MP Stokes data requires (cf. Table 1). Constraints on a sharp step in the MP linear-polarization degree ($p_{L}(\varphi)$, left) and position angle ($\psi(\varphi)$, right) versus the putative step’s pulse phase $\varphi_{\rm step}$ (relative to the MP center). Large position-angle swings ($|\Delta\psi|>45^{\circ}$, say) are allowed (but not required) only very early ($\varphi_{\rm step}<-4^{\circ}$) in the pulse—i.e., where the signal-to-noise ratio is low. It is possible that the radio linear polarization in the MP and LP is very sensitive to the magnetic-field structure. Existing models explored only the two extremes of vacuum (accelerating fields but no plasma) and force-free (plasma but no accelerating fields), neither of which describe real pulsars. More realistic, dissipative magnetosphere models with finite conductivity now exist (Kalapotharakos et al., 2012; Li et al., 2012) and should be used to model light curves and polarization characteristics. It is also possible that the radio emission in the MP and IP occurs along sets of field lines that lie deeper within the open/closed field boundary or the current sheet and have different polarization properties. The low-frequency component (LFC) is substantially weaker than the MP and IP at 1.4 GHz. As its name suggests, the LFC is not detected at radio frequencies higher than a few GHz and has no corresponding component in the visible band. The nearly complete radio polarization ($p_{L}\approx 98\%$ and $p_{C}\approx 20\%$) of the LFC support the hypothesis that it is a highly coherent, low- altitude component. Note that the (lower frequency) precursor is also believed to be a highly coherent, low-altitude component, due to its high polarization and steep spectrum (Rankin, 1990). ## 5 Conclusions Our 1.38-GHz observations of the Crab pulsar measured significant linear and circular polarization in the three most prominent pulse components—the main pulse (MP), inter pulse (IP), and low-frequency component (LFC). These results are mostly in agreement with previous measurements of linear polarization at similar radio frequencies (cf. Moffett & Hankins, 1999). The MP and IP are moderately linearly polarized ($p_{L}\approx 23\%$ and $21\%$, respectively) at the same position angle ($\psi_{\rm IP}-\psi_{\rm MP}\approx 0$); they are weakly circularly polarized ($p_{C}\approx-1.3\%$ and $-3.2\%$, respectively). In contrast, the LFC is very strongly linearly polarized ($p_{L}\approx 98\%$), at a position angle $+40^{\circ}$ from that of the MP or IP, and moderately circularly polarized ($p_{C}\approx 20\%$). The fine time resolution (Period/8192 = 4.1 $\mu$s) and good sensitivity of the measurements at the Westerbork Synthesis Radio Telescope (WSRT) enabled a meaningful search for changes in linear-polarization degree $p_{L}$, in position angle $\psi$, and in circular-polarization degree $p_{C}$ across each of the three pulse components. Neither the MP, IP, nor LFC exhibits a statistically significant change in the polarization position angle or circular polarization across the pulse. For the MP, the linear term (“sweep”) is well constrained: $\psi^{\prime}_{0\,\rm MP}=(-0.16\pm 0.20)^{\circ}{\rm PA}/^{\circ}$. Likewise, neither the IP nor LFC displays a statistically significant change in the polarization degree. However, the MP does show a small but statistically significant quadratic variation in linear-polarization degree—$p^{\prime\prime}_{L0\,\rm MP}=(0.88\pm 0.22)\%/^{\circ}/^{\circ}$ about its central value—$p_{L0\,\rm MP}=(23.0\pm 0.3)\%$—for a pulse-average linear polarization $\overline{p}_{L\,\rm MP}=(23.7\pm 0.3)\%$. Our analysis of the radio Stokes data shows no strong sweep of the linear- polarization position angle. This lack of strong position-angle swings contrasts with the rapid swings observed in the visible band. Current models for pulsar emission geometries do not readily account for the absence of substantial variations in both polarization degree and position angle across a pulse component (§ 4). Thus, alternative models—e.g., dissipative magnetopheres—should be considered in modeling the radio polarization of the Crab pulsar’s MP and IP. The nearly complete polarization of the LFC suggest that it originates at a different location and via a different mechanism than do the stronger MP and IP. Finally, the fine time resolution and high signal-to-noise ratio in the MP data led to detection of statistically significant substructure in its pulse profile. We surmise that this substructure results from giant radio pulses occurring during the 144-minute observation. Acknowledgments The Westerbork Synthesis Radio Telescope (WSRT) is operated by ASTRON, the Netherlands Institute for Radio Astronomy, with support from NWO, the Netherlands Foundation for Scientific Research. AS acknowledges grant DEC-2011/03/D/ST9/00656 from the Polish National Science Centre; BWS, a Consolidated Grant from the UK Science and Technology Facilities Council; AKH, NASA grants Astrophysics Theory 12-ATP12-0169 and Fermi Guest Investigator 11-FERMI11-0052; AJvdH, Advanced Investigator Grant 247295 (PI: R. A. M. J. Wijers) from the European Research Council; and SLO, RFE and MCW, support by NASA’s Chandra Program. ## Appendix A Statistical analysis ### A.1 Procedures As Figure 2 shows, the main pulse (MP), interpulse (IP), and low-frequency component (LFC) are well separated in the 1.38-GHz data folded on the Crab pulsar’s period. Consequently, we choose to analyze each of these three features individually, using phase ranges $(-7.2^{\circ},7.2^{\circ})$ for the MP, $(134.6^{\circ},156.2^{\circ})$ for the IP, and $(-52.1^{\circ},-23.3^{\circ})$ for the LFC, where the center of the MP defines pulse-phase angle $\varphi=0^{\circ}$. We use data over the remaining phase ranges to measure the off-pulse mean and the root-of-mean-square (RMS) noise in $I$, $Q$, $U$, and $V$. Upon measuring the off-pulse mean values for $I$, we noticed that its off-pulse value near the MP is depressed with respect to the remaining phase ranges. Specifically, in phase ranges $(-14.4^{\circ},-7.2^{\circ})$ and $(7.2^{\circ},14.4^{\circ})$, the mean $I$ is 0.0273 ($\times 1000)$ less than in other off-pulse ranges. Taking this into account lowered $\chi^{2}$ by about 300 in fitting the $I$ pulse profile, but did not significantly alter the fitted polarization properties. For convenience, we pre-process the raw data by subtracting the respective off-pulse mean value, under the assumption that the expectation values for $I$, $Q$, $U$, and $V$ are zero away from pulse features. Furthermore, we take the RMS noise levels—0.0324, 0.0310, 0.0311, and 0.0307 (each $\times 1000$)—as estimators of the statistical standard deviations $\sigma_{I}$, $\sigma_{Q}$, $\sigma_{U}$, and $\sigma_{V}$, respectively. In order to fit the model to the data for each pulse feature, we minimize the chi-square statistic of the combined Stokes data $\displaystyle\chi^{2}(\varpi)=\chi_{I}^{2}(\varpi)+\chi_{Q}^{2}(\varpi)+\chi_{U}^{2}(\varpi)+\chi_{V}^{2}(\varpi)=$ $\displaystyle\sum_{n=1}^{N}\left[\frac{(I_{n}-I(\varphi_{n};\varpi))^{2}}{\sigma_{I}^{2}}+\frac{(Q_{n}-Q(\varphi_{n};\varpi))^{2}}{\sigma_{Q}^{2}}+\frac{(U_{n}-U(\varphi_{n};\varpi))^{2}}{\sigma_{U}^{2}}+\frac{(V_{n}-V(\varphi_{n};\varpi))^{2}}{\sigma_{V}^{2}}\right],$ with respect to a set $\varpi$ of $K$ model parameters, leaving $\nu=N-K$ degrees of freedom. We obtain the statistical uncertainty in each parameter, based upon $\Delta\chi^{2}=\chi^{2}-\chi^{2}_{\rm min}$. To perform the $\chi^{2}$ analysis, we used the MathematicaTM (Wolfram, 2013) function NonlinearModelFit222http://reference.wolfram.com/mathematica/ref/NonlinearModelFit.html, which finds best-fit model parameters, their errors, correlation matrix amongst them, etc. Modeling the Stokes data requires parameterized functions for the pulse profile $I(\varphi)$, the linear-polarization fraction $p_{L}(\varphi)$, the polarization position angle $\psi(\varphi)$, and the circular-polarization fraction $p_{C}(\varphi)$ (cf. Equations 4, 5, and 6 for $Q(\varphi)$, $U(\varphi)$, and $V(\varphi)$, respectively). As there is no evidence for rapid changes in polarization degree or position angle over a pulse feature (cf. Figures 3 and 3), simple Taylor-series expansions suffice: $\displaystyle p_{L}(\varphi)$ $\displaystyle=$ $\displaystyle p_{L}(\varphi_{0})+p^{\prime}_{L}(\varphi_{0})(\varphi-\varphi_{0})+\frac{1}{2}p^{\prime\prime}_{L}(\varphi_{0})(\varphi-\varphi_{0})^{2}+\cdots$ (A2) $\displaystyle\equiv$ $\displaystyle p_{L0}+p^{\prime}_{L0}(\varphi-\varphi_{0})+\frac{1}{2}p^{\prime\prime}_{L0}(\varphi-\varphi_{0})^{2}+\cdots;$ $\displaystyle\psi(\varphi)$ $\displaystyle=$ $\displaystyle\psi(\varphi_{0})+\psi^{\prime}(\varphi_{0})(\varphi-\varphi_{0})+\frac{1}{2}\psi^{\prime\prime}(\varphi_{0})(\varphi-\varphi_{0})^{2}+\cdots$ (A3) $\displaystyle\equiv$ $\displaystyle\psi_{0}+\psi^{\prime}_{0}(\varphi-\varphi_{0})+\frac{1}{2}\psi^{\prime\prime}_{0}(\varphi-\varphi_{0})^{2}+\cdots;$ $\displaystyle p_{C}(\varphi)$ $\displaystyle=$ $\displaystyle p_{C}(\varphi_{0})+p^{\prime}_{C}(\varphi_{0})(\varphi-\varphi_{0})+\frac{1}{2}p^{\prime\prime}_{C}(\varphi_{0})(\varphi-\varphi_{0})^{2}+\cdots$ (A4) $\displaystyle\equiv$ $\displaystyle p_{C0}+p^{\prime}_{C0}(\varphi-\varphi_{0})+\frac{1}{2}p^{\prime\prime}_{C0}(\varphi-\varphi_{0})^{2}+\cdots.$ To parameterize the pulse profile, we use a Gaussian (§A.2) for each pulse feature (MP, IP, or LFC) or multiple Gaussians (§A.3) for the MP. ### A.2 Single-Gaussian fits to the MP, the IP, and to the LFC To complete the parameterized model for the four Stokes functions, we assume a Gaussian profile: $I(\varphi)=I_{0}\exp\left(-\frac{(\varphi-\varphi_{0})^{2}}{2\sigma^{2}_{\varphi}}\right),$ (A5) with $I_{0}$ the value of $I(\varphi)$ at pulse center, $\sigma_{\varphi}$ the Gaussian width, and $\varphi_{0}$ the phase at the pulse center. Combining this parameterization with Equations 4, 5, 6, A2, A3, A4, the full model for the other three Stokes functions follows: $\displaystyle Q(\varphi)$ $\displaystyle=$ $\displaystyle I_{0}\exp\left(-\frac{(\varphi-\varphi_{0})^{2}}{2\sigma^{2}_{\varphi}}\right)[p_{L0}+p^{\prime}_{L0}(\varphi-\varphi_{0})+\frac{1}{2}p^{\prime\prime}_{L0}(\varphi-\varphi_{0})^{2}]$ (A6) $\displaystyle\times\cos(2[\psi_{0}+\psi^{\prime}_{0}(\varphi-\varphi_{0})+\frac{1}{2}\psi^{\prime\prime}_{0}(\varphi-\varphi_{0})^{2}]);$ $\displaystyle U(\varphi)$ $\displaystyle=$ $\displaystyle I_{0}\exp\left(-\frac{(\varphi-\varphi_{0})^{2}}{2\sigma^{2}_{\varphi}}\right)[p_{L0}+p^{\prime}_{L0}(\varphi-\varphi_{0})+\frac{1}{2}p^{\prime\prime}_{L0}(\varphi-\varphi_{0})^{2}]$ (A7) $\displaystyle\times\sin(2[\psi_{0}+\psi^{\prime}_{0}(\varphi-\varphi_{0})+\frac{1}{2}\psi^{\prime\prime}_{0}(\varphi-\varphi_{0})^{2}]);$ $\displaystyle V(\varphi)$ $\displaystyle=$ $\displaystyle I_{0}\exp\left(-\frac{(\varphi-\varphi_{0})^{2}}{2\sigma^{2}_{\varphi}}\right)[p_{C0}+p^{\prime}_{C0}(\varphi-\varphi_{0})+\frac{1}{2}p^{\prime\prime}_{C0}(\varphi-\varphi_{0})^{2}].$ (A8) Stokes data $I$, $Q$, $U$, and $V$ versus pulse phase offset $\Delta\varphi$ from the center of the main pulse (MP). The lines represent the best-fit (minimum-$\chi^{2}$) Stokes functions for a single-Gaussian profile and up-to- second-order variations in polarization degree and in position angle. Stokes data $I$, $Q$, $U$, and $V$ versus pulse phase offset $\Delta\varphi$ from the center of the inter pulse (IP). The lines represent the best-fit (minimum-$\chi^{2}$) Stokes functions for a single-Gaussian profile and up-to- second-order variations in polarization degree and in position angle. Stokes data $I$, $Q$, $U$, and $V$ versus pulse phase offset $\Delta\varphi$ from the center of the low-frequency component (LFC). The lines represent the best-fit (minimum-$\chi^{2}$) Stokes functions for a single-Gaussian profile and up-to-second-order variations in polarization degree and in position angle. Figures A.2, A.2, and A.2 display Stokes data for the MP, IP, and LFC, respectively. The lines represent best-fit (minimum-$\chi^{2}$) Stokes functions (Equations A5, A6, A7, and A8) for a single-Gaussian profile $I(\varphi)$ and up-to-quadratic variations in linear-polarization degree $p_{L}(\varphi)$, in position angle $\psi(\varphi)$, and in circular- polarization degree $p_{C}(\varphi)$. Tables 2, 3, and 4 tabulate the results of the $\chi^{2}$ analysis for a Gaussian profile and retaining polarization terms (Equations A6, A7, and A8) through, zeroth, first, and second order, respectively. For each pulse feature—MP, IP, and LFC—the tables list the minimum $\chi^{2}$ and degrees of freedom $\nu$ for $I$, $Q$, $U$, and $V$ data sets combined and separately, followed by best-fit estimators and (1-sigma) uncertainties for the 3 pulse-profile parameters ($I_{0}$, $\sigma_{\varphi}$, $\varphi_{0}$) and for the relevant polarization coefficients ($p_{L0}$, $p^{\prime}_{L0}$, $p^{\prime\prime}_{L0}$; $\psi_{0}$, $\psi^{\prime}_{0}$, $\psi^{\prime\prime}_{0}$; $p_{C0}$, $p^{\prime}_{C0}$, $p^{\prime\prime}_{C0}$). Note that these tables reference the pulse-phase angles ($\varphi_{0}$) and polarization position angles ($\psi_{0}$) to the MP, as we set $\varphi_{\rm MP}\equiv 0$ and were unable to obtain an absolute measurement of position angle $\psi_{\rm MP}$. Table 2: Best-fit parameters for the MP, IP, and the LFC, using a simple Gaussian for each profile and no variations in polarization functions $p_{L}(\varphi)$, $\psi(\varphi)$, and $p_{C}(\varphi)$. Parameter | Units | MP | IP | LFC ---|---|---|---|--- $\chi^{2}/\nu$ | | $3081./1302$ | $2022./1962$ | $2518./2618$ $\chi^{2}_{I}/\nu_{I}$ | | $1910./324$ | $561./489$ | $577./653$ $\chi^{2}_{Q}/\nu_{Q}$ | | $460./322$ | $534./487$ | $674./651$ $\chi^{2}_{U}/\nu_{U}$ | | $441./322$ | $463./487$ | $603./651$ $\chi^{2}_{V}/\nu_{V}$ | | $269./323$ | $463./488$ | $664./652$ $I_{0}$ | $\times 1000$ | $1.9894\pm 0.0046$ | $0.4414\pm 0.0044$ | $0.0668\pm 0.0031$ $\sigma_{\varphi}$ | ∘ | $1.7801\pm 0.0047$ | $1.947\pm 0.022$ | $3.40\pm 0.14$ $\varphi_{0}-\varphi_{\rm MP}$ | ∘ | $\equiv 0$ | $145.399\pm 0.023$ | $-37.79\pm 0.14$ $p_{L0}$ | $\%$ | $23.67\pm 0.19$ | $21.24\pm 0.81$ | $98.3\pm 5.7$ $\psi_{0}-\psi_{\rm MP}$ | ${}^{\circ}{\rm PA}$ | $\equiv 0$ | $1.0\pm 1.1$ | $40.3\pm 1.2$ $p_{C0}$ | $\%$ | $-1.40\pm 0.18$ | $-2.70\pm 0.78$ | $19.0\pm 4.0$ Table 3: Best-fit parameters for the MP, the IP, and the LFC, using a simple Gaussian for each profile and up-to-linear variations in polarization functions $p_{L}(\varphi)$, $\psi(\varphi)$, and $p_{C}(\varphi)$. Parameter | Units | MP | IP | LFC ---|---|---|---|--- $\chi^{2}/\nu$ | | $3076./1299$ | $2017./1959$ | $2517./2615$ $\chi^{2}_{I}/\nu_{I}$ | | $1910./324$ | $561./489$ | $577./653$ $\chi^{2}_{Q}/\nu_{Q}$ | | $456./320$ | $532./485$ | $674./649$ $\chi^{2}_{U}/\nu_{U}$ | | $440./320$ | $462./485$ | $602./649$ $\chi^{2}_{V}/\nu_{V}$ | | $269./322$ | $463./487$ | $664./651$ $I_{0}$ | $\times 1000$ | $1.9894\pm 0.0046$ | $0.4415\pm 0.0044$ | $0.0668\pm 0.0031$ $\sigma_{\varphi}$ | ∘ | $1.7801\pm 0.0047$ | $1.946\pm 0.022$ | $3.40\pm 0.14$ $\varphi_{0}-\varphi_{\rm MP}$ | ∘ | $\equiv 0$ | $145.389\pm 0.023$ | $-37.74\pm 0.20$ $p_{L0}$ | $\%$ | $23.67\pm 0.19$ | $21.25\pm 0.81$ | $98.3\pm 5.7$ $p^{\prime}_{L0}$ | $\%/^{\circ}$ | $-0.32\pm 0.15$ | $1.09\pm 0.59$ | $-0.9\pm 2.4$ $\psi_{0}-\psi_{\rm MP}$ | ${}^{\circ}{\rm PA}$ | $\equiv 0$ | $0.9\pm 1.1$ | $40.3\pm 1.2$ $\psi^{\prime}_{0}$ | ${}^{\circ}{\rm PA}/^{\circ}$ | $-0.15\pm 0.18$ | $0.91\pm 0.78$ | $-0.18\pm 0.48$ $p_{C0}$ | $\%$ | $-1.40\pm 0.18$ | $-2.70\pm 0.78$ | $19.0\pm 4.0$ $p^{\prime}_{C0}$ | $\%/^{\circ}$ | $-0.01\pm 0.14$ | $0.38\pm 0.57$ | $0.3\pm 1.7$ Table 4: Best-fit parameters for the MP, for the IP, and for the LFC, using a simple Gaussian for each profile and up-to-quadratic variations in polarization functions $p_{L}(\varphi)$, $\psi(\varphi)$, and $p_{C}(\varphi)$. Parameter | Units | MP | IP | LFC ---|---|---|---|--- $\chi^{2}/\nu$ | | $3049./1296$ | $2016./1956$ | $2517./2612$ $\chi^{2}_{I}/\nu_{I}$ | | $1909./324$ | $561./489$ | $577./653$ $\chi^{2}_{Q}/\nu_{Q}$ | | $432./318$ | $531./483$ | $674./647$ $\chi^{2}_{U}/\nu_{U}$ | | $440./318$ | $461./483$ | $603./647$ $\chi^{2}_{V}/\nu_{V}$ | | $268./321$ | $462./486$ | $664./650$ $I_{0}$ | $\times 1000$ | $1.9927\pm 0.0047$ | $0.4414\pm 0.0045$ | $0.0666\pm 0.0034$ $\sigma_{\varphi}$ | ∘ | $1.7742\pm 0.0048$ | $1.947\pm 0.023$ | $3.42\pm 0.20$ $\varphi_{0}-\varphi_{\rm MP}$ | ∘ | $\equiv 0$ | $145.389\pm 0.023$ | $-37.75\pm 0.20$ $p_{L0}$ | $\%$ | $22.99\pm 0.23$ | $21.24\pm 0.99$ | $98.1\pm 7.0$ $p^{\prime}_{L0}$ | $\%/^{\circ}$ | $-0.32\pm 0.15$ | $1.03\pm 0.59$ | $-0.9\pm 2.4$ $p^{\prime\prime}_{L0}$ | $\%/^{\circ}/^{\circ}$ | $0.86\pm 0.17$ | $-0.04\pm 0.61$ | $0.1\pm 1.4$ $\psi_{0}-\psi_{\rm MP}$ | ${}^{\circ}{\rm PA}$ | $\equiv 0$ | $-0.1\pm 1.3$ | $40.8\pm 1.4$ $\psi^{\prime}_{0}$ | ${}^{\circ}{\rm PA}/^{\circ}$ | $-0.16\pm 0.17$ | $0.82\pm 0.79$ | $-0.16\pm 0.48$ $\psi^{\prime\prime}_{0}$ | ${}^{\circ}{\rm PA}/^{\circ}/^{\circ}$ | $-0.06\pm 0.18$ | $1.07\pm 0.80$ | $-0.21\pm 0.28$ $p_{C0}$ | $\%$ | $-1.25\pm 0.22$ | $-3.15\pm 0.96$ | $20.5\pm 4.9$ $p^{\prime}_{C0}$ | $\%/^{\circ}$ | $0.01\pm 0.15$ | $0.38\pm 0.57$ | $0.3\pm 1.7$ $p^{\prime\prime}_{C0}$ | $\%/^{\circ}/^{\circ}$ | $-0.20\pm 0.16$ | $0.47\pm 0.59$ | $-0.49\pm 0.96$ Table 3 documents that, to within statistical uncertainties, $p^{\prime}_{L0}=0$, $\psi^{\prime}_{0}=0$, and $p^{\prime}_{C0}=0$ for each of the three pulse features—MP, IP, or LFC. Equivalently, including the three linear coefficients $p^{\prime}_{L0}=0$, $\psi^{\prime}_{0}=0$, and $p^{\prime}_{C0}=0$, does not result in a statistically significant reduction in the value of $\chi^{2}_{\rm min}$ (cf. Tables 2 and 3). In contrast, including the quadratic parameter $p^{\prime\prime}_{L0}$ does significantly reduce the value of $\chi^{2}_{\rm min}$ for the MP (cf. Table 4 with Table 3 or 2), but not for the IP nor for the LFC. ### A.3 Comparison of model fits to MP Table 2 shows that a single-Gaussian profile and constant polarization degree and position angle provide a statistically adequate fit to the Stokes data for the IP and for the LFC. However, the simple model does not provide a statistically adequate fit to the Stokes data for the MP, at least in part due to the higher signal-to-noise ratio in the MP Stokes data. Consequently, we here investigate more complicated models in order to improve the goodness of the $\chi^{2}$ fits to the MP Stokes data. In particular, we investigate using a multi-Gaussian function for the MP pulse profile. Table 5 lists the minimum $\chi^{2}$ and degrees of freedom $\nu$ for $I$, $Q$, $U$, and $V$ data sets combined and separately, followed by best-fit estimators and (1-sigma) uncertainties for the 9 polarization coefficients ($p_{L0}$, $p^{\prime}_{L0}$, $p^{\prime\prime}_{L0}$; $\psi_{0}$, $\psi^{\prime}_{0}$, $\psi^{\prime\prime}_{0}$; $p_{C0}$, $p^{\prime}_{C0}$, $p^{\prime\prime}_{C0}$) of the Taylor expansion through second order. Table 5: Comparison of results of fitting the main pulse (MP) profile with a simple Gaussian, with a multi-Gaussian, and with a simple Gaussian after adjusting weightings. The models retain up-to-quadratic variations in the polarization functions $p_{L}(\varphi)$, $\psi(\varphi)$, and $p_{C}(\varphi)$. Parameter | Units | 1-Gaussian | 6-Gaussian | 1-Gaussian (Adj.) ---|---|---|---|--- $\chi^{2}/\nu$ | | $3049./1296$ | $1823./1281$ | $1281./1296$ $\chi^{2}_{I}/\nu_{I}$ | | $1909./324$ | $688./309$ | $324./324$ $\chi^{2}_{Q}/\nu_{Q}$ | | $432./318$ | $430./303$ | $318./318$ $\chi^{2}_{U}/\nu_{U}$ | | $440./318$ | $438./303$ | $318./318$ $\chi^{2}_{V}/\nu_{V}$ | | $268./321$ | $267./306$ | $321./321$ $p_{L0}$ | $\%$ | $22.99\pm 0.23$ | $22.91\pm 0.24$ | $22.98\pm 0.30$ $p^{\prime}_{L0}$ | $\%/^{\circ}$ | $-0.32\pm 0.15$ | $-0.29\pm 0.15$ | $-0.31\pm 0.19$ $p^{\prime\prime}_{L0}$ | $\%/^{\circ}/^{\circ}$ | $0.86\pm 0.17$ | $0.89\pm 0.19$ | $0.88\pm 0.22$ $\psi_{0}$ | ${}^{\circ}{\rm PA}$ | $-89.34\pm 0.27$ | $-89.38\pm 0.29$ | $-89.34\pm 0.32$ $\psi^{\prime}_{0}$ | ${}^{\circ}{\rm PA}/^{\circ}$ | $-0.16\pm 0.17$ | $-0.19\pm 0.17$ | $-0.16\pm 0.20$ $\psi^{\prime\prime}_{0}$ | ${}^{\circ}{\rm PA}/^{\circ}/^{\circ}$ | $-0.06\pm 0.18$ | $0.05\pm 0.20$ | $-0.06\pm 0.21$ $p_{C0}$ | $\%$ | $-1.25\pm 0.22$ | $-1.27\pm 0.23$ | $-1.25\pm 0.20$ $p^{\prime}_{C0}$ | $\%/^{\circ}$ | $-0.01\pm 0.15$ | $-0.02\pm 0.14$ | $-0.01\pm 0.13$ $p^{\prime\prime}_{C0}$ | $\%/^{\circ}/^{\circ}$ | $-0.20\pm 0.16$ | $-0.18\pm 0.18$ | $-0.20\pm 0.15$ Comparison of the column “MP” in Table 3 with that in Table 4 (or, equivalently, with the column “1-Gaussian” in Table 5) finds that inclusion of the three quadratic polarization coefficients—especially $p^{\prime\prime}_{L0}$—reduces $\chi^{2}_{Q}$ by 42 (from 473 to 431). While $\psi^{\prime\prime}_{0}=0$ and $p^{\prime\prime}_{C0}=0$ within statistical uncertainties, $p^{\prime\prime}_{L0}\approx(0.9\pm 0.2)\%/^{\circ}/^{\circ}$ is statistically significant but small. The main cause of the poor fit of the 1-Gaussian model to the MP data, however, has nothing to do with polarization. Figure 3 illustrates that, for the fine time resolution and the high signal-to-noise ratio of the MP data, substructure in the pulse profile is quite evident. Using a 6-Gaussian (2 broad and 4 narrow) profile for $I(\varphi)$ substantially improves the fit. Comparing the column “6-Gaussian” with “1-Gaussian” in Table 5 finds that inclusion of $15=5\times 3$ additional (Gaussian) parameters reduces $\chi^{2}_{I}$ by 1221 (from 1909 to 688). Even so, the fit to the Stokes data is not formally acceptable. It is important to note that the best-fit expectation values and uncertainties for the polarization coefficients ($p_{L0}$, $p^{\prime}_{L0}$, $p^{\prime\prime}_{L0}$; $\psi_{0}$, $\psi^{\prime}_{0}$, $\psi^{\prime\prime}_{0}$; $p_{C0}$, $p^{\prime}_{C0}$, $p^{\prime\prime}_{C0}$) are rather insensitive to details of the pulse profile. Thus, we compensate for fine substructure in the pulse profile by increasing the estimators for the measurement standard deviations until a statistically acceptable fit is achieved. That is, we adjust $\sigma_{I}$, $\sigma_{Q}$, $\sigma_{U}$, and $\sigma_{V}$ until (Eq. A.1) $\chi_{I}^{2}/\nu_{I}$, $\chi_{Q}^{2}/\nu_{Q}$, $\chi_{U}^{2}/\nu_{U}$, and $\chi_{V}^{2}/\nu_{V}$, respectively, are close to unity. The column “1-Gaussian (Adj.)” in Table 5 shows the best-fit polarization parameters for a single-Gaussian profile, with weightings adjusted as described. 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arxiv-papers
2014-02-26T21:39:49
2024-09-04T02:49:58.978911
{ "license": "Public Domain", "authors": "Agnieszka Slowikowska, Benjamin W. Stappers, Alice K. Harding, Stephen\n L. O'Dell, Ronald F. Elsner, Alexander J. van der Horst, Martin C. Weisskopf", "submitter": "Martin C. Weisskopf", "url": "https://arxiv.org/abs/1402.6719" }
1402.6808
# Parallel Lepton Mass Matrices with Texture/Cofactor Zeros Weijian Wang Department of Physics, North China Electric Power University, Baoding 071003, P. R. China [email protected] ###### Abstract In this paper we investigate the parallel texture structures containing texture zeros in charged lepton mass matrix $M_{l}$ and cofactor zeros in neutrino mass matrix $M_{\nu}$. These textures are interesting since they are related to the $Z_{n}$ flavor symmetries. Using the weak basis permutation transformation, the 15 parallel textures are grouped as 4 classes (class I,II,III and IV) with the matrices in each class sharing the same physical implications. Under the current experimental data, the class I, III with inverted mass hierarchy and class II with normal mass hierarchy are phenomenologically acceptable. The correlations between some important physical variables are presented, which are essential for the model selection and can be text by future experiments. The model realization is illustrated by means of $Z_{4}\times Z_{2}$ flavor symmetry. PACS: 14.60.Pq, 12.15.Ff, 11.30.Hv ## I Introduction The discovery of neutrino oscillations have provided us with convincing evidences for massive neutrinos and leptonic flavor mixing with high degree of accuracyneu1 (1, 2, 3). The understanding of the leptonic flavor structure is one of the major open questions in particle physics. Several attempts have been proposed to explain the origin of neutrino mass and the observed pattern of leptonic mixing by introducing the flavor symmetries within the framework of seesaw modelsseesaw (4). The flavor symmetry often reduces the number of free parameters and leads to the specific structures of fermion mass matrices including texture zeroszero (5, 6, 7, 8, 9), hybrid textureshybrid (10, 11), zero tracesum (12), zero determinantdet (13), vanishing minorsminor1 (14, 15, 16), two traceless submatricestra (17), equal elements or cofactorsco (18), inverse hybrid textureshyco (19). Among these models, the matrices with texture or cofactor zeros are particularly interesting due to their connections to the flavor symmetries. The phenomenological examination of texture zeros or cofactor zeros in flavor basis have been widely studies in Ref.zero (5, 6, 14, 15, 16) where the charged lepton mass matrices $M_{l}$ are diagonal. However, no universal principle is required that the flavor basis is necessary and the more general cases should be considered in no diagonal $M_{l}$ basis. In this scenario, the lepton mass matrices with texture zeros in both lepton mass $M_{l}$ and neutrino mass matrix $M_{\nu}$ have been systematically investigated by many authorsGCB (7, 8)(for a review, see z1 (9)). In this paper, we propose the new possible texture structures where there are two texture zeros in $M_{l}$ and two cofactor zeros in $M_{\nu}$ (We denote them the matrices with texture/cofactor zeros). It seems that such mass matrices are rather unusual because one instinctively expects the type of texture structures to be the same for both $M_{l}$ and $M_{\nu}$. However, one reminds the type-I seesaw model as $M_{\nu}=-M_{D}M_{R}^{-1}M_{D}^{T}$. Then the texture or cofactor zeros of $M_{\nu}$ can be attributed to the texture zeros in $M_{D}$ and $M_{R}$. Generally, this can be realized by $Z_{n}$ flavor symmetryzn (20, 14). Therefore from the point of flavor symmetry, both texture zeros and cofactor zeros structures manifest the same flavor symmetry in different ways. It is our main motivation to carry out this work and a concrete model will be constructed in the following section. Furthermore, we take the so-called the parallel $Ans\ddot{a}tze$ that the positions of texture zeros in $M_{l}$ are chosen to be the same as the cofactor zeros in $M_{\nu}$. Although there is no priori reason requiring the parallel structures, they are usually regarded in many literatures as an esthetical appeal and the precursor of the more general cases. The lepton mass matrices with parallel texture zero structures have been systematically investigated in Ref.GCB (7). Subsequently, the idea is generalized to more complicated situations such as parallel hybrid textureshyp (21), parallel cofactor zero texturesmyco (22). In our case, there exists $C^{2}_{6}=15$ logically possible patterns for two texture/cofactor zeros in mass matrices. It is indicated that the 15 textures can be grouped into 4 classes with the matrices in each class connected by $S_{3}$ permutation transformation and sharing the same physical implications. Among the 4 classes, one of them is not viable phenomenologically. Therefore we focus on the other three nontrivial classes. The paper is organized as follow. In Sec. II, we present the classification of mass matrices and relate them to the current experimental results. In Sec. III, we diagonalize the mass matrices, confront the numerical results with the experimental data and discuss their predictions. In Sec. IV, the model realization is given under the $Z_{4}\times Z_{2}$ flavor symmetry. We summarize the results in Sec. V. ## II Formalism ### II.1 Weak basis equivalent classes As shown in Ref.GCB (7), there exists the general weak basis (WB) transformations leaving gauge currents invariant i.e $M_{l}\rightarrow M_{l}^{\prime}=W^{\dagger}M_{l}W_{R}\quad\quad\quad M_{\nu}\rightarrow M_{\nu}^{\prime}=W^{T}M_{\nu}W$ (1) where the neutrinos are assumed to be Majorana fermions and $W$, $W_{R}$ are $3\times 3$ unitary matrices. Two matrices related by WB transformations have the same physical implications. Therefore the parallel matrices with texture/cofactor zeros located at different positions can be connected by $S_{3}$ permutation matrix $P$ as a specific WB transformation $M_{l}^{\prime}=P^{T}M_{l}P\quad\quad\quad M_{\nu}^{\prime}=P^{T}M_{\nu}P$ (2) It is noted that $P$ changes the positions of cofactor zero elements but still preserves the parallel structures for both charged lepton and neutrino mass textures. Then the texture/cofactor zeros matrices are classified into 4 classes: Class I: $\begin{split}\left(\begin{array}[]{ccc}0/\bigtriangleup&\times&0/\bigtriangleup\\\ \times&\times&\times\\\ 0/\bigtriangleup&\times&\times\end{array}\right)\quad\quad\left(\begin{array}[]{ccc}0/\bigtriangleup&0/\bigtriangleup&\times\\\ 0/\bigtriangleup&\times&\times\\\ \times&\times&\times\end{array}\right)\quad\quad\left(\begin{array}[]{ccc}\times&0/\bigtriangleup&\times\\\ 0/\bigtriangleup&0/\bigtriangleup&\times\\\ \times&\times&\times\end{array}\right)\\\ \left(\begin{array}[]{ccc}\times&\times&\times\\\ \times&0/\bigtriangleup&0/\bigtriangleup\\\ \times&0/\bigtriangleup&\times\end{array}\right)\quad\quad\left(\begin{array}[]{ccc}\times&\times&0/\bigtriangleup\\\ \times&\times&\times\\\ 0/\bigtriangleup&\times&0/\bigtriangleup\end{array}\right)\quad\quad\left(\begin{array}[]{ccc}\times&\times&\times\\\ \times&\times&0/\bigtriangleup\\\ \times&0/\bigtriangleup&0/\bigtriangleup\end{array}\right)\end{split}$ (3) Class II: $\begin{split}\left(\begin{array}[]{ccc}0/\bigtriangleup&\times&\times\\\ \times&\times&0/\bigtriangleup\\\ \times&0/\bigtriangleup&\times\end{array}\right)\quad\quad\left(\begin{array}[]{ccc}\times&\times&0/\bigtriangleup\\\ \times&0/\bigtriangleup&\times\\\ 0/\bigtriangleup&\times&\times\end{array}\right)\quad\quad\left(\begin{array}[]{ccc}\times&0/\bigtriangleup&\times\\\ 0/\bigtriangleup&\times&\times\\\ \times&\times&0/\bigtriangleup\end{array}\right)\end{split}$ (4) Class III: $\begin{split}\left(\begin{array}[]{ccc}0/\bigtriangleup&\times&\times\\\ \times&0/\bigtriangleup&\times\\\ \times&\times&\times\end{array}\right)\quad\quad\left(\begin{array}[]{ccc}0/\bigtriangleup&\times&\times\\\ \times&\times&\times\\\ \times&\times&0/\bigtriangleup\end{array}\right)\quad\quad\left(\begin{array}[]{ccc}\times&\times&\times\\\ \times&0/\bigtriangleup&\times\\\ \times&\times&0/\bigtriangleup\end{array}\right)\end{split}$ (5) Class IV: $\begin{split}\left(\begin{array}[]{ccc}\times&0/\bigtriangleup&0/\bigtriangleup\\\ 0/\bigtriangleup&\times&\times\\\ 0/\bigtriangleup&\times&\times\end{array}\right)\quad\quad\left(\begin{array}[]{ccc}\times&0/\bigtriangleup&\times\\\ 0/\bigtriangleup&\times&0/\bigtriangleup\\\ \times&0/\bigtriangleup&\times\end{array}\right)\quad\quad\left(\begin{array}[]{ccc}\times&\times&0/\bigtriangleup\\\ \times&\times&0/\bigtriangleup\\\ 0/\bigtriangleup&0/\bigtriangleup&\times\end{array}\right)\end{split}$ (6) where ”$0/\bigtriangleup$” at $(i,j)$ position represents the texture zero condition $M_{ij}=0$ and the cofactor zero condition $C_{ij}=0$; The ”$\times$” denotes arbitrary element. One can check that the matrices with cofactor zeros in class I are equivalent to the texture zero ones. Choosing the first matrix of class I as an example, we have $\begin{split}M_{\nu}=\left(\begin{array}[]{ccc}\bigtriangleup&\times&\bigtriangleup\\\ \times&\times&\times\\\ \bigtriangleup&\times&\times\end{array}\right)\Rightarrow M_{\nu}^{-1}=\left(\begin{array}[]{ccc}0&\times&0\\\ \times&\times&\times\\\ 0&\times&\times\end{array}\right)\Rightarrow M_{\nu}=\left(\begin{array}[]{ccc}\times&\times&\times\\\ \times&0&0\\\ \times&0&\times\end{array}\right)\end{split}$ (7) Thus the parallel texture structures of class I are equivalent to the no- parallel structures with two texture zeros. Although the parallel texture zero structures has been explored extensivelyGCB (7, 8, 9), the analysis of the no- parallel two texture zero structure has not yet been reported. On the other hand, as having been pointed out in Ref.GCB (7, 22), the class IV leads to the decoupling of a generation of lepton from mixing and thus not experimentally viable. ### II.2 Useful notations As we have mentioned, among the 4 classes only class I, II and III are nontrivial. We represent them as $\begin{split}M_{l/\nu}^{I}=\left(\begin{array}[]{ccc}0/\bigtriangleup&\times&0\bigtriangleup\\\ \times&\times&\times\\\ 0\bigtriangleup&\times&\times\end{array}\right)\quad\quad M_{l/\nu}^{II}=\left(\begin{array}[]{ccc}0/\bigtriangleup&\times&\times\\\ \times&\times&0/\bigtriangleup\\\ \times&0/\bigtriangleup&\times\end{array}\right)\quad\quad M_{l/\nu}^{III}=\left(\begin{array}[]{ccc}0/\bigtriangleup&\times&\times\\\ \times&0/\bigtriangleup&\times\\\ \times&\times&\times\end{array}\right)\end{split}$ (8) In the analysis, we consider $M_{l}$ is to be Hermitian and the Majorana neutrino mass texture $M_{\nu}$ is complex and symmetric. The $M_{l}$ and $M_{\nu}$ are diagonalized by unitary matrix $V_{l}$ and $V_{\nu}$ $M_{l}=V_{l}M_{l}^{D}V_{l}^{\dagger}\quad\quad M_{\nu}=V_{\nu}M_{\nu}^{D}V_{\nu}^{T}$ (9) where $M_{l}^{D}=Diag(m_{e},m_{\mu},m_{\tau})$, $M_{\nu}^{D}=Diag(m_{1},m_{2},m_{3})$. The Pontecorvo-Maki-Nakagawa-Sakata matrixPMNS (23) $U_{PMNS}$ is given by $U_{PMNS}=V_{l}^{\dagger}V_{\nu}$ (10) and parameterized as $U_{PMNS}=UP_{\nu}=\left(\begin{array}[]{ccc}c_{12}c_{13}&c_{13}s_{12}&s_{13}e^{-i\delta}\\\ -s_{12}c_{23}-c_{12}s_{13}s_{23}e^{i\delta}&c_{12}c_{23}-s_{12}s_{13}s_{23}e^{i\delta}&c_{13}s_{23}\\\ s_{23}s_{12}-c_{12}c_{23}s_{13}e^{i\delta}&-c_{12}s_{23}-c_{23}s_{12}s_{13}e^{i\delta}&c_{13}c_{23}\end{array}\right)\left(\begin{array}[]{ccc}1&0&0\\\ 0&e^{i\alpha}&0\\\ 0&0&e^{i(\beta+\delta)}\end{array}\right)$ (11) where we use the abbreviation $s_{ij}=\sin\theta_{ij}$ and $c_{ij}=\cos\theta_{ij}$. The ($\alpha$,$\beta$) in $P_{\nu}$ represents the two Majorana CP-violating phases and $\delta$ denotes the Dirac CP-violating phase. In order to facilitate our calculation, we treat the Hermitian matrix $M_{l}$ factorisable. i.e $M_{l}=K_{l}M_{l}^{r}K_{l}^{\dagger}$ (12) where $K_{l}$ is the unitary phase matrix parameterized as $K_{l}=diag(1,e^{i\phi_{1}},e^{i\phi_{2}})$. The $M_{l}^{r}$ becomes a real symmetric matrix which can be diagonalized by real orthogonal matrix $O_{l}$. Then we have $V_{l}=K_{l}O_{l}$ (13) and $U_{PMNS}=O_{l}^{T}K_{l}^{\dagger}V_{\nu}$ (14) From (9), (10) and (14), the neutrino mass matrix $M_{\nu}$ is given by $M_{\nu}=K_{l}VP_{\nu}M_{\nu}^{D}P_{\nu}V^{T}K_{l}^{\dagger}$ (15) where $V\equiv O_{l}U$. From (15) and solving the cofactor zero conditions of $M_{\nu}$ $M_{\nu(pq)}M_{\nu(rs)}-M_{\nu(tu)}M_{\nu(vw)}=0\quad\quad M_{\nu(p^{\prime}q^{\prime})}M_{\nu(r^{\prime}s^{\prime})}-M_{\nu(t^{\prime}u^{\prime})}M_{\nu(v^{\prime}w^{\prime})}=0$ (16) we get $\frac{m_{1}}{m_{2}}e^{-2i\alpha}=\frac{K_{3}L_{1}-K_{1}L_{3}}{K_{2}L_{3}-K_{3}L_{2}}$ (17) $\frac{m_{1}}{m_{3}}e^{-2i\beta}=\frac{K_{2}L_{1}-K_{1}L_{2}}{K_{3}L_{2}-K_{2}L_{3}}e^{2i\delta}$ (18) where $K_{i}=(V_{pj}V_{qj}V_{rk}V_{sk}-V_{tj}V_{uj}V_{vk}V_{wk})+(j\leftrightarrow k)$ (19) $L_{i}=(V_{p^{\prime}j}V_{q^{\prime}j}V_{r^{\prime}k}V_{s^{\prime}k}-V_{t^{\prime}j}V_{u^{\prime}j}V_{v^{\prime}k}V_{w^{\prime}k})+(j\leftrightarrow k)$ (20) with $(i,j,k)$ a cyclic permutation of (1,2,3). With the help of Eq.(17) and (18), the magnitudes of neutrino mass radios are given by $\rho=\Big{|}\frac{m_{1}}{m_{3}}e^{-2i\beta}\Big{|}$ (21) $\sigma=\Big{|}\frac{m_{1}}{m_{2}}e^{-2i\alpha}\Big{|}$ (22) with the two Majorana CP-violating phases $\alpha=-\frac{1}{2}arg\Big{(}\frac{K_{3}L_{1}-K_{1}L_{3}}{K_{2}L_{3}-K_{3}L_{2}}\Big{)}$ (23) $\beta=-\frac{1}{2}arg\Big{(}\frac{K_{2}L_{1}-K_{1}L_{2}}{K_{3}L_{3}-K_{2}L_{3}}e^{2i\delta}\Big{)}$ (24) The results of Eq. (21),(22), (23) and (24) imply that the two mass ratio ($\rho$ and $\sigma$) and two Majorana CP-violating phases ($\alpha$ and $\beta$) are fully determined in terms of the real orthogonal matrix $O_{l}$, $U$($\theta_{12},\theta_{23},\theta_{13}$ and $\delta$). The neutrino mass ratios $\rho$ and $\sigma$ are related to the ratio of two neutrino mass- squared differences defined as $R_{\nu}\equiv\frac{\delta m^{2}}{\Delta m^{2}}=\frac{2\rho^{2}(1-\sigma^{2})}{|2\sigma^{2}-\rho^{2}-\rho^{2}\sigma^{2}|}$ (25) where $\delta m^{2}\equiv m_{2}^{2}-m_{1}^{2}$ and $\Delta m^{2}\equiv\mid m_{3}^{2}-\frac{1}{2}(m_{1}^{2}+m_{2}^{2})\mid$. The three neutrino mass eigenvalues $m_{1},m_{2}$ and $m_{3}$ are given by $m_{2}=\sqrt{\frac{\delta m^{2}}{1-\sigma^{2}}}\quad\quad m_{1}=\sigma m_{2}\quad\quad m_{3}=\frac{m_{1}}{\rho}$ (26) In the following numerical analysis, we utilize the recent 3$\sigma$ confidential level global-fit data from the neutrino oscillation experimentsdata (25).i.e $\begin{split}\sin^{2}\theta_{12}/10^{-1}=3.08^{+0.51}_{-0.49}\quad\sin^{2}\theta_{23}/10^{-1}=4.25^{+2.16}_{-0.68}\quad\sin^{2}\theta_{13}/10^{-2}=2.34^{+0.63}_{-0.57}\\\ \delta m^{2}/10^{-5}=7.54^{+0.64}_{-0.55}eV^{2}\quad\quad\bigtriangleup m^{2}/10^{-3}=2.44^{+0.22}_{-0.22}eV^{2}\end{split}$ (27) for normal hierarchy (NH) and $\begin{split}\sin^{2}\theta_{12}/10^{-1}=3.08^{+0.51}_{-0.49}\quad\sin^{2}\theta_{23}/10^{-1}=4.25^{+2.22}_{-0.74}\quad\sin^{2}\theta_{13}/10^{-2}=2.34^{+0.61}_{-0.61}\\\ \delta m^{2}/10^{-5}=7.54^{+0.64}_{-0.55}eV^{2}\quad\quad\bigtriangleup m^{2}/10^{-3}=2.40^{+0.21}_{-0.23}eV^{2}\end{split}$ (28) for inverted hierarchy(IH). By this time, no constraint is added on the Dirac CP-violating phase $\delta$ at $3\sigma$ level, however the recent numerical analysisdata (25) tends to give the best-fit value $\delta\approx 1.40\pi$. In neutrino oscillation experiments, the CP violation effect is usually reflected by the Jarlskog rephasing invariant quantityJas (26) defined as $J_{CP}=s_{12}s_{23}s_{13}c_{12}c_{23}c_{13}^{2}\sin\delta$ (29) The Majorana nature of neutrino can be determined if any signal of neutrinoless double decay($0\nu\beta\beta$) is observed, implying the violation of leptonic number violation. The decay ratio is related to the effective Majorana neutrino mass $m_{ee}$, which is written as $m_{ee}=|m_{1}c_{12}^{2}c_{13}^{2}+m_{2}s_{12}^{2}c_{13}^{2}e^{2i\alpha}+m_{3}s_{13}^{2}e^{2i\beta}|$ (30) Although a $3\sigma$ result of $m_{ee}=(0.11-0.56)$ eV is reported by the Heidelberg-Moscow CollaborationHM (27), this result is criticizedNND2 (28) and shall be checked by the forthcoming experiment. It is believed that that the next generation $0\nu\beta\beta$ experiments, with the sensitivity of $m_{ee}$ being up to 0.01 eVNDD (29), will open the window to not only the absolute neutrino mass scale but also the Majorana-type CP violation. Besides the $0\nu\beta\beta$ experiments, a more severe constraint was set from the recent cosmology observation. Recently, an upper bound on the sum of neutrino mass $\sum m_{i}<0.23$ eV is reported by Plank CollaborationPlanck (30) combined with the WMAP, high-resolution CMB and BAO experiments. ## III Numerical analysis We have proposed a detailed numerical analysis for class I, II and III. In this section we presented the main predictions of all the classes. ### III.1 Class I Let’s start from the factorisable formation of charged lepton matrix $M_{l}^{r}$ $\begin{split}(M_{l}^{r})^{I}=\left(\begin{array}[]{ccc}0&a&0\\\ a&b&c\\\ 0&c&d\end{array}\right)\end{split}$ (31) As proposed in Ref.GCB (7, 22), the coefficients $a,b$ and $c$ are assumed to be real and positive without losing generality. The real coefficient $d$ is treated as a free parameter. Then the matrix (31) can be diagonalized by an orthogonal matrix $O_{l}$ $O_{l}^{T}(M_{l}^{r})^{I}O_{l}=diag(m_{e},-m_{\mu},m_{\tau})$ (32) where the minus sign in (32) is introduced to facilitate the analytical calculation and has no physical meaning since it originates from the phase transformation of Dirac fermions. Following the same strategy of Ref.GCB (7) and using the invariant Tr$(M_{l}^{r})$, Det$(M_{l}^{r})$ and Tr$(M_{l}^{r})^{2}$, the nozero elements of $M_{l}^{r}$ can be expressed in terms of three mass eigenvalues $m_{e},m_{\mu}$, $m_{\tau}$ and $d$ $a=\sqrt{\frac{m_{e}m_{\mu}m_{\tau}}{d}}$ (33) $b=m_{e}-m_{\mu}+m_{\tau}-d$ (34) $c=\sqrt{-\frac{(d-m_{e})(d+m_{\mu})(d-m_{\tau})}{d}}$ (35) Using the expression (33), (34) and (35), $O_{l}$ can be constructed. Here we adopt the result of GCB (7) i.e $\begin{split}O_{l}=\left(\begin{array}[]{ccc}\sqrt{\frac{m_{\mu}m_{\tau}(d-m_{e})}{d(m_{\mu}+m_{e})(m_{\tau}-m_{e})}}&\sqrt{\frac{m_{e}m_{\tau}(m_{\mu}+d)}{d(m_{\mu}+m_{e})(m_{\tau}+m_{\mu})}}&\sqrt{-\frac{m_{e}m_{\mu}(d-m_{\tau})}{d(m_{\tau}-m_{e})(m_{\tau}+m_{\mu})}}\\\ \sqrt{-\frac{m_{e}(m_{e}-d)}{(m_{\mu}+m_{e})(m_{\tau}-m_{e})}}&-\sqrt{-\frac{m_{\mu}(d+m_{\mu})}{(m_{\mu}+m_{e})(m_{\tau}+m_{\mu})}}&\sqrt{\frac{m_{\tau}(m_{\tau}-d)}{(m_{\tau}-m_{e})(m_{\tau}+m_{\mu})}}\\\ -\sqrt{-\frac{m_{e}(d+m_{\mu})(d-m_{\tau})}{d(m_{\mu}+m_{e})(m_{\tau}-m_{e})}}&\sqrt{\frac{m_{\mu}(d-m_{e})(m_{\tau}-d)}{d(m_{\mu}+m_{e})(m_{\tau}-m_{e})}}&\sqrt{\frac{m_{\tau}(d-m_{e})(d+m_{\mu})}{d(m_{\tau}-m_{e})(m_{\tau}+m_{\mu})}}\end{array}\right)\end{split}$ (36) Replacing the (21), (22), (23), (24) and (25) with the $O_{l}$ obtained in (43), we can see that the ratios of mass ($\rho,\sigma$), two Majorana CP- violating phases $(\alpha,\beta)$ and the ratio of mass squared difference $R_{\nu}$ can be expressed via eight parameters: three mixing angle $\theta_{12},\theta_{23},\theta_{13}$, one Dirac CP violating phase $\delta$, three charged lepton mass $(m_{e},m_{\mu},m_{\tau})$ and the parameter $d$. Here we choose the three charged lepton mass at the electroweak scale($\mu\simeq M_{Z}$) i.ezzx2 (31) $m_{e}=0.486570154MeV\quad\quad m_{\mu}=102.7181377MeV\quad\quad m_{\tau}=1746.17MeV$ (37) Figure 1: The correlation plots for class I(IH). The blue horizontal bands represent the 1$\sigma$ uncertainty in determination of $\theta_{12},\theta_{23}$ and $\theta_{13}$ while they plus the green horizontal bands correspond to the 2$\sigma$ uncertainty. In the numerical analysis, a set of random numbers are generated for the three mixing angles $(\theta_{12},\theta_{23},\theta_{13})$ and mass square differences ($\delta m^{2},\Delta m^{2}$) in their $3\sigma$ range. We also randomly vary the parameter $d$ in its appropriate range. Since at 3 $\sigma$ level the Dirac CP-violating phase $\delta$ is unconstrained in neutrino oscillation experiments, we vary it randomly in the range of $[0,2\pi)$. With the random number and using Eq. (21), (22) and (25), neutrino mass ratios $(\rho,\sigma)$ and the mass-squared difference ratio $R_{\nu}$ are determined. Then the input parameters is empirically acceptable when the $R_{\nu}$ falls inside the the $3\sigma$ range of experimental data, otherwise they are ruled out. Finally, we get the value of neutrino mass and Majorana CP-violating $\alpha$ and $\beta$ though Eq.(23), (24) and (26). Once the the absolute neutrino mass $m_{1,2,3}$ are obtained , the further constraint from cosmology should be considered. In this paper, the upper bound on the sum of neutrino mass $\Sigma m_{i}$ is set to be less than 0.23 eV. It turns out that class I are phenomenologically acceptable only for inverted mass hierarchy. Figure 2: The correlation plots $(\theta_{23},\theta_{12})$ and $(\theta_{23},\theta_{13})$ for class I(NH). The horizontal and vertical lines respectively denote the 3$\sigma$ upper and lower bound of $\theta_{12}$ and $\theta_{23}$ The predictions of class I with inverted mass hierarchy are presented in Fig.1. From the diagrams, one can see that the three neutrino mixing angles $\theta_{12}$, $\theta_{23}$ and $\theta_{13}$ fully cover their $3\sigma$ experimental data. Although there is no bound on the Dirac CP-violating phase $\delta$, a numerical preference appears at around $0^{\circ}\sim 50^{\circ}(360^{\circ}\sim 310^{\circ})$. The unrestricted $\delta$ leads to the $J_{CP}$ varying in the range of $0\sim 0.04$. There also exists a strong correlation between $\delta$ and the lightest neutrino mass $m_{3}$. Especially, the range $0.002$eV$<m_{3}<0.02$eV is derived for $\delta$ lying around $0^{\circ}(360^{\circ})$, indicating that both strong and mild mass hierarchy are allowed. On the other hand, the mild mass hierarchy is much more appealing for $100^{\circ}<\delta<260^{\circ}$. Although both Majorana CP- violating phase $\alpha$ and $\beta$ is allowed in the range of $-90^{\circ}\sim 90^{\circ}$, there shows a preferable distribution for $\alpha$ in $\pm 90^{\circ}\sim\pm 50^{\circ}$ and a strong correlation between $\delta$ and $\beta$. There exists an upper bound of $0.05$eV on the effective Majorana neutrino mass $m_{ee}$, leaving the possible space for detecting in future neutrinoless double beta decay $(0\nu\beta\beta)$ experiments. The class I with inverted hierarchy is ruled out by $3\sigma$ data. To see this, we show the correlated plots $(\theta_{23},\theta_{12})$ and $(\theta_{23},\theta_{13})$ in Fig.2. From the diagrams, one can see that even though $\theta_{13}$ fully covers its $3\sigma$ range, the common parameter spaces $(\theta_{23},\theta_{12})$ fails to provide a allowed region to saturate the experimental constraint. Moveover, one always obtains $\theta_{23}>40^{\circ}$, which means a rather large correction of $\theta_{12}$ is needed to reconcile the observed PMNS matrix. ### III.2 Class II The factorisable formation of charged lepton matrix of class I is given by expression: $\begin{split}(M_{l}^{r})^{II}=\left(\begin{array}[]{ccc}0&a&c\\\ a&b&0\\\ c&0&d\end{array}\right)\end{split}$ (38) It can be diagonalized by an orthogonal matrix $O_{l}$ $O_{l}^{T}(M_{l}^{r})^{II}O_{l}=diag(m_{e},-m_{\mu},m_{\tau})$ (39) Without losing generality, the coefficients $a,c,d$ are set to be real and positive. Using the invariant Tr$(M_{l}^{r})$, Det$(M_{l}^{r})$ and Tr$(M_{l}^{r})^{2}$, the nozero elements of $M_{l}^{r}$ are expressed as $a=\sqrt{-\frac{(m_{e}-m_{\mu}-d)(m_{e}+m_{\tau}-d)(-m_{\mu}+m_{\tau}-d)}{m_{e}-m_{\mu}+m_{\tau}-2d}}$ (40) $b=m_{e}-m_{\mu}+m_{\tau}-d$ (41) $c=\sqrt{\frac{(d-m_{e})(d+m_{\mu})(d-m_{\tau})}{m_{e}-m_{\mu}+m_{\tau}-2d}}$ (42) where the parameter $d$ is allowed in the range of $m_{e}-m_{\mu}<d<m_{e}$ and $m_{\tau}-m_{\mu}<d<m_{\tau}$. Then the $O_{l}$ can be easily constructed as $\begin{split}O_{l}=\left(\begin{array}[]{ccc}\frac{(b-m_{e})(d-m_{e})}{N_{1}}&\frac{(b+m_{\mu})(d+m_{\mu})}{N_{2}}&\frac{(b-m_{\tau})(d-m_{\tau})}{N_{3}}\\\ -\frac{a(d-m_{e})}{N_{1}}&-\frac{a(d+m_{\mu})}{N_{2}}&-\frac{a(d-m_{\tau})}{N_{3}}\\\ -\frac{c(b-m_{e})}{N_{3}}&-\frac{c(b+m_{\mu})}{N_{3}}&-\frac{c(b-m_{\tau})}{N_{3}}\end{array}\right)\end{split}$ (43) where $N_{1}$, $N_{2}$ and $N_{3}$ are the normalized coefficients given by $N_{1}^{2}=(b-m_{e})^{2}(d-m_{e})^{2}+a^{2}(d-m_{e})^{2}+c^{2}(b-m_{\tau})^{2}$ (44) $N_{2}^{2}=(b+m_{\mu})^{2}(d+m_{\mu})^{2}+a^{2}(d+m_{\mu})^{2}+c^{2}(b+m_{\mu})^{2}$ (45) $N_{3}^{2}=(b-m_{\tau})^{2}(d-m_{\tau})^{2}+a^{2}(d-m_{\tau})^{2}+c^{2}(b-m_{\tau})^{2}$ (46) Figure 3: The correlation plots for class II(NH). The blue horizontal bands represent the 1$\sigma$ uncertainty in determination of $\theta_{12},\theta_{23}$ and $\theta_{13}$ while they plus the green horizontal bands correspond to the 2$\sigma$ uncertainty. The numerical results of class II for normal hierarchy are presented in Fig.3. We can see from the figures that the three neutrino mixing angle $\theta_{12}$, $\theta_{23}$ $\theta_{13}$ and Dirac CP-violating phase $\delta$ vary arbitrarily in its $3\sigma$ range. There exhibits a strong correlation between $\delta$ and $\theta_{23}$. Only when $\delta$ is located in the range of $100^{\circ}\sim 260^{\circ}$, the $\theta_{23}$ has the possibility to be less then $45^{\circ}$. This is particularly interesting since the recent global fit trends to give the $\theta_{23}<45^{\circ}$ at 2$\sigma$ level. The strong $\delta-\theta_{23}$ correlation is essential for the model selection and will be confirmed or ruled out by future long-baseline neutrino oscillation experiments. The similar correlations also holds for $\delta$, $m_{ee}$ and the lightest neutrino mass $m_{1}$. Moveover, there exists a constrained range of $0$eV$<m_{1}<$$0.06$eV, indicating that both strong and mild neutrino mass hierarchy are possible. There are strong correlations between $\alpha$, $\beta$ and $\delta$. Especially, the Majorana CP-violating phase $\alpha$ is restricted in the range of $-5^{\circ}\sim+5^{\circ}$ and $\pm 90^{\circ}\sim\pm 50^{\circ}$. The effective Majorana neutrino mass $m_{ee}$ is highly constrained in the two ranges of $0$eV$\sim 0.008$eV and $0.01$eV$\sim 0.025$eV. The later reaches the accuracy of the future neutrinoless double beta decay $(0\nu\beta\beta)$ experiments. We also observed that the allowed range of Jarlskog rephasing invariant $|J_{CP}|$ is $0\sim 0.04$, which is potentially detected by future long-baseline neutrino oscillation experiments. The IH case, as we can see from Fig.4, is phenomenologically ruled by $3\sigma$ experimental data. As class I, the theoretical prediction of $(\theta_{23},\theta_{12})$ common space fails to be located in its experimental region. Moreover, the possibility distribution of $\theta_{23}$ shows a strong preference of $\theta_{23}<33^{\circ}$ or $\theta_{23}>50^{\circ}$, which means a large correction of $\theta_{23}$ angle is needed to produce the $2\sigma$ global-fit value. Figure 4: The correlation plots $(\theta_{23},\theta_{12})$ and $(\theta_{23},\theta_{13})$ for class II(IH). The horizontal and vertical lines respectively denote the 3$\sigma$ upper and lower bound of $\theta_{12}$ and $\theta_{23}$ Figure 5: The correlation plots for class III(IH). The blue horizontal bands represent the 1$\sigma$ uncertainty in determination of $\theta_{12},\theta_{23}$ and $\theta_{13}$ while they plus the green horizontal bands correspond to the 2$\sigma$ uncertainty. Figure 6: The correlation plots $(\theta_{23},\theta_{12})$ and $(\theta_{23},\theta_{13})$ for class III(NH). The horizontal and vertical lines respectively denote the 3$\sigma$ upper and lower bound of $\theta_{12}$ and $\theta_{23}$ ### III.3 Class III In the case of class III, the factorisable charged lepton matrix is written by $\begin{split}(M_{l}^{r})^{III}=\left(\begin{array}[]{ccc}0&a&b\\\ a&0&c\\\ b&c&d\end{array}\right)\end{split}$ (47) where $a,b,c$ and $d$ are real number and $b,c$ are set to be positive. The matrix $(M_{l}^{r})^{III}$ is diagonalized by the orthogonal matrix $O_{l}$ $O_{l}^{T}(M_{l}^{r})^{III}O_{l}=diag(m_{e},-m_{\mu},m_{\tau})$ (48) Here we choose $a$ as the free parameter because $d$ has been fixed by Tr$(M_{l}^{r})$. i.e $d=m_{e}-m_{\mu}+m_{\tau}$ (49) With the help of other two invariant quantity Det$(M_{l}^{r})$ and Tr$(M_{l}^{r})^{2}$, $b,c$ are determined by three charged leptonic mass eigenvalues$(m_{e},m_{\mu},m_{\tau})$ and $a$ $(b\pm c)^{2}=-(-m_{e}m_{\mu}+m_{e}m_{\tau}-m_{\mu}m_{\tau})-a^{2}\pm\frac{a^{2}(m_{e}-m_{\mu}+m_{\tau})-m_{e}m_{\mu}m_{\tau}}{a}$ (50) Then diagonalization matrix can be constructed as $\begin{split}(M_{l}^{r})^{III}=\left(\begin{array}[]{ccc}\frac{O(11)}{N_{1}}&\frac{O(12)}{N_{2}}&\frac{O(13)}{N_{3}}\\\ \frac{O(21)}{N_{1}}&\frac{O(22)}{N_{2}}&\frac{O(23)}{N_{3}}\\\ \frac{O(31)}{N_{1}}&\frac{O(32)}{N_{2}}&\frac{O(33)}{N_{3}}\end{array}\right)\end{split}$ (51) The matrix elements are given by $\begin{split}O(11)=&am_{e}^{-1}(bm_{e}^{-1}+ca^{-1})+bm_{e}^{-1}(m_{e}a^{-1}-m_{e}^{-1}a)\\\ O(12)=&-am_{\mu}^{-1}(-bm_{\mu}^{-1}+ca^{-1})-bm_{\mu}^{-1}(-m_{\mu}a^{-1}+m_{\mu}^{-1}a)\\\ O(13)=&am_{\tau}^{-1}(bm_{\tau}^{-1}+ca^{-1})+bm_{\tau}^{-1}(m_{\tau}a^{-1}-m_{\tau}^{-1}a)\\\ &O(21)=bm_{e}^{-1}+ca^{-1}\\\ &O(22)=-bm_{\mu}^{-1}+ca^{-1}\\\ &O(23)=bm_{\tau}^{-1}+ca^{-1}\\\ &O(31)=m_{e}a^{-1}-m_{e}^{-1}a\\\ &O(32)=-m_{\mu}a^{-1}+m_{\mu}^{-1}a\\\ &O(33)=m_{\tau}a^{-1}-m_{\tau}^{-1}a\\\ \end{split}$ (52) with the normalized coefficients $\begin{split}N_{1}^{2}=O(11)^{2}+O(21)^{2}+O(31)^{2}\\\ N_{2}^{2}=O(12)^{2}+O(22)^{2}+O(32)^{2}\\\ N_{3}^{2}=O(13)^{2}+O(23)^{2}+O(33)^{2}\end{split}$ (53) Repeating the previous analysis, the class III with inverted hierarchy are now found to be acceptable by current experimental data while the NH case are excluded. In Fig.5, we show the the main predictions for IH case. One can observe that no bounds are founded on three mixing angles and Dirac CP- violating phase $\delta$, leading to the Jarlskog rephasing invariant $0<|J_{CP}|<0.04$. One the other hand, there is a correlation between $\delta$ and the lightest neutrino mass $m_{3}$. One obtains $0$eV$<m_{3}<$$0.05$eV for $0^{\circ}<\delta<100^{\circ}(260^{\circ}<\delta<360^{\circ})$ while $0$eV$<m_{3}<$$0.02$eV for $100^{\circ}<\delta<260^{\circ}$, implying that both strong and mild mass hierarchy are allowed. Interestingly, although the correlations of $(\delta,\alpha)$ and $(\delta,\beta)$ are complicated, there exists a lower bound of $0.01$eV on the effective Majorana neutrino mass $m_{ee}$ which is achievable in future $0\nu\beta\beta$ experiments. In Fig.6, we present the common space of $(\theta_{23},\theta_{12})$ and $(\theta_{23},\theta_{13})$ for NH case. One easily observes that parameter space of $(\theta_{23},\theta_{12})$ is outside the $3\sigma$ allowed region and a large corrections of $\theta_{23}$ or $\theta_{12}$ is needed. ## IV The $Z_{4}\times Z_{2}$ flavor symmetry realization In general, all phenomenologically viable lepton mass matrices with with parallel texture/cofactor zeros can be realized in seesaw models with Abelian flavor symmetry. The lepton mass matrices of class I are equivalent to the ones with no-parallel texture zeros. The symmetry realization of such texture structures has been performed in Ref.zn (20). Thus we only consider class II and III. In this section, we take the first matrix pattern of class II as a illustration. It is shown that the lepton mass matrix can be realized based on the type-I seesaw models with the $Z_{4}\times Z_{2}$ flavor symmetry. We take the same strategy of Ref.minor (15, 14, 16). In flavor basis, $M_{\nu}$ belonging to class II is realized under $Z_{8}$ symmetryminor1 (14). Different from Ref.minor1 (14), we build the model under the basis where $M_{l}$ is nodiagonal. Under the $Z_{4}\times Z_{2}$ symmetry, the three charged lepton doublets $D_{iL}=(\nu_{iL},l_{iL})$, three right-handed charged lepton singlets $l_{iR}$ and three right-handed neutrinos $\nu_{iR}$ (where $i=e,\mu,\tau$) transform as $\begin{split}\nu_{eR}\sim(\omega,1),\quad\quad\nu_{\mu R}\sim(1,1),\quad\quad\nu_{\tau R}\sim(\omega^{2},1)\\\ D_{eL}\sim(\omega,-1),\quad\quad D_{\mu L}\sim(1,-1),\quad\quad D_{\tau L}\sim(\omega^{2},-1)\\\ l_{eR}\sim(\omega^{3},-1),\quad\quad l_{\mu R}\sim(1,-1),\quad\quad l_{\tau R}\sim(\omega^{2},-1)\end{split}$ (54) where $\omega=e^{i\pi/2}$. Then, under $Z_{4}$ symmetry, the bilinears of $\overline{D}_{iL}l_{jR}$, $\overline{D}_{iL}\nu_{jR}$, and $\nu_{iR}^{T}\nu_{jR}$, transform respectively as $\left(\begin{array}[]{ccc}-1&-i&i\\\ i&1&-1\\\ -i&-1&1\end{array}\right)\quad\quad\quad\left(\begin{array}[]{ccc}1&-i&i\\\ i&1&-1\\\ -i&-1&1\end{array}\right)\quad\quad\quad\left(\begin{array}[]{ccc}-1&i&-i\\\ i&1&-1\\\ -i&-1&1\end{array}\right)$ (55) To generate the fermion mass, we need introduce the three Higgs doublets $\Phi_{12},\Phi_{23},\Phi$ for charged lepton matrix $M_{l}$, one the Higgs doublet $\Phi^{\prime}$ for Dirac neutrino mass matrix $M_{D}$ and a scalar singlet $\chi$ for the Majorana neutrino mass matrix $M_{R}$, which transform under $Z_{4}\times Z_{2}$ symmetry as $\begin{split}\Phi_{12}\sim(\omega,1),&\quad\quad\Phi_{13}\sim(\omega^{3},1),\quad\quad\Phi\sim(1,1)\\\ &\Phi^{\prime}\sim(1,-1),\quad\quad\quad\quad\chi\sim(\omega,1)\end{split}$ (56) To maintain the invariant Yukawa Lagrange under the flavor symmetry , the $\Phi_{12}$ and $\Phi_{13}$ couple to the bilnears $\overline{D}_{eL}l_{\mu R}$ and $\overline{D}_{eL}l_{\tau R}$ to produce the (1,2) and (1,3) nozero matrix elements in $M_{l}$ while $\Phi$ couples to $\overline{D}_{\mu L}l_{\mu R}$ $\overline{D}_{\tau L}l_{\tau R}$ to produce the (2,2) and (3,3) no zero matrix elements. The zero matrix elements in $M_{l}$ is obtained because there are no appropriate scalars to generate them. For the Dirac neutrino mass sector, there exists only one scalar doublet $\Phi^{\prime}$ transforming invariantly under $Z_{4}$. Therefore the $\Phi^{\prime}$ will contribute only to the (1,1), (2,2), (3,3) no zero elements leading to a diagonal $M_{D}$. Here the $Z_{2}$ symmetry is used to distinguish the set of scalar doublets $(\Phi_{12},\Phi_{13},\phi)$ from $\Phi^{\prime}$ so that they are respectively in charge of the mass generation of $M_{l}$ and $M_{D}$ without any crossing. In order to produce the Majorana neutrino mass term, we introduce a complex scalar singlet $\chi$. The $\chi$ couples to $\nu_{eR}^{T}\nu_{\tau R}$ while $\chi^{\ast}$ couples to $\nu_{eR}^{T}\nu_{\mu R}$, leading to the (1,2) and (1,3) no zero elements in $M_{R}$. From (55), the $\nu_{\mu R}^{T}\nu_{\mu R}$ and $\nu_{\tau R}^{T}\nu_{\tau R}$ is invariant under $Z_{4}$, thus we can directly write them in the Lagrange without needing the singlets. The zero elements in $M_{R}$ are obtained by not introducing other scalar singlets. Therefore the mass matrices $M_{l}$, $M_{D}$ and $M_{R}$ is given by $M_{l}\sim\left(\begin{array}[]{ccc}0&\times&\times\\\ \times&\times&0\\\ \times&0&\times\end{array}\right)\quad\quad\quad M_{D}\sim\left(\begin{array}[]{ccc}\times&0&0\\\ 0&\times&0\\\ 0&0&\times\end{array}\right)\quad\quad\quad M_{R}\sim\left(\begin{array}[]{ccc}0&\times&\times\\\ \times&\times&0\\\ \times&0&\times\end{array}\right)$ (57) Using the neutrino mass formula of type-I seesaw mechanism $M_{\nu}=-M_{D}M_{R}M_{D}^{T}$, we obtain $M_{\nu}\sim\left(\begin{array}[]{ccc}\Delta&\times&\times\\\ \times&\times&\Delta\\\ \times&\Delta&\times\end{array}\right)$ (58) Together with the $M_{l}$ in (57), we have realized the leptonic mass matrices of class II with parallel texture/cofactor zeros under $Z_{4}\times Z_{2}$ flavor symmetry. The symmetry realization of class III can be similarly performed. ## V Conclusion and discussion We have investigated the parallel texture structures with two texture zeros in lepton mass matrix $M_{l}$ and two cofactor zeros in neutrino mass matrix $M_{\nu}$. The 15 possible textures are grouped into class I, II, III, and IV, where the matrices in each class are related by means of permutation transformation and share the same physical implications. We found only class I, II, III are notrivial. Using the recent results of the neutrino oscillation and cosmology experiments, a phenomenological analysis are systematically proposed for each class and mass hierarchy. We demonstrate the correlation plots between Dirac CP-violating phase $\delta$, three mixing angles $\theta_{12},\theta_{23}$ and $\theta_{13}$, the effective Majorana neutrino mass $m_{ee}$, the lightest neutrino mass, Majorana CP-violating phase $\alpha,\beta$ and the neutrino mass ratio, leading to the predictions to be confirmed by future experiments. A realization of the model base on $Z_{4}\times Z_{2}$ flavor symmetry is illustrated. Finally we would like to mention that in the spirit of Ref. GCB (7, 21), the parallel texture structures are treated as a natural precursor of more general cases. A systematic analysis of all possible combinations deserves further study and will be published in pre (32). ###### Acknowledgements. This work is supported by the Fundamental Research Funds for the Central Universities The author would like to thank Shu-Yuan Guo for the helpful discussion. ## References * (1) Q.R. Ahmad et al.(SNO Collaboration), Phys. Rev. Lett 89, 011301(2002); K. 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arxiv-papers
2014-02-27T07:14:19
2024-09-04T02:49:58.989320
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Weijian Wang", "submitter": "Weijian Wang", "url": "https://arxiv.org/abs/1402.6808" }
1402.6852
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2014-026 LHCb-PAPER-2014-001 27 February 2014 Observation of photon polarization in the ${b}\\!\rightarrow{s}{\gamma}$ transition The LHCb collaboration†††Authors are listed on the following pages. This Letter presents a study of the flavor-changing neutral current radiative ${{B}^{\pm}}\\!\rightarrow{{K}^{\pm}}{{\pi}^{\mp}}{{\pi}^{\pm}}{\gamma}$ decays performed using data collected in proton-proton collisions with the LHCb detector at $7$ and $8\,$TeV center-of-mass energies. In this sample, corresponding to an integrated luminosity of $3\,\mbox{\,fb}^{-1}$, nearly $14\,000$ signal events are reconstructed and selected, containing all possible intermediate resonances with a ${{K}^{\pm}}{{\pi}^{\mp}}{{\pi}^{\pm}}$ final state in the $[1.1,1.9]$ ${\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$ mass range. The distribution of the angle of the photon direction with respect to the plane defined by the final- state hadrons in their rest frame is studied in intervals of ${{K}^{\pm}}{{\pi}^{\mp}}{{\pi}^{\pm}}$ mass and the asymmetry between the number of signal events found on each side of the plane is obtained. The first direct observation of the photon polarization in the ${b}\\!\rightarrow{s}{\gamma}$ transition is reported with a significance of $5.2\,\sigma$. Published in Phys. Rev. Lett. 112, 161801 (2014) © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij41, B. Adeva37, M. Adinolfi46, A. Affolder52, Z. Ajaltouni5, J. Albrecht9, F. Alessio38, M. Alexander51, S. Ali41, G. Alkhazov30, P. Alvarez Cartelle37, A.A. Alves Jr25, S. Amato2, S. Amerio22, Y. Amhis7, L. Anderlini17,g, J. Anderson40, R. Andreassen57, M. Andreotti16,f, J.E. Andrews58, R.B. Appleby54, O. Aquines Gutierrez10, F. Archilli38, A. Artamonov35, M. Artuso59, E. Aslanides6, G. Auriemma25,m, M. Baalouch5, S. Bachmann11, J.J. Back48, A. Badalov36, V. Balagura31, W. Baldini16, R.J. Barlow54, C. Barschel39, S. Barsuk7, W. Barter47, V. Batozskaya28, Th. Bauer41, A. Bay39, J. Beddow51, F. Bedeschi23, I. Bediaga1, S. Belogurov31, K. Belous35, I. Belyaev31, E. Ben-Haim8, G. Bencivenni18, S. Benson50, J. Benton46, A. Berezhnoy32, R. Bernet40, M.-O. Bettler47, M. van Beuzekom41, A. Bien11, S. Bifani45, T. Bird54, A. Bizzeti17,i, P.M. Bjørnstad54, T. Blake48, F. Blanc39, J. Blouw10, S. Blusk59, V. Bocci25, A. Bondar34, N. Bondar30, W. Bonivento15,38, S. Borghi54, A. Borgia59, M. Borsato7, T.J.V. Bowcock52, E. Bowen40, C. Bozzi16, T. Brambach9, J. van den Brand42, J. Bressieux39, D. Brett54, M. Britsch10, T. Britton59, N.H. Brook46, H. Brown52, A. Bursche40, G. Busetto22,q, J. Buytaert38, S. Cadeddu15, R. Calabrese16,f, O. Callot7, M. Calvi20,k, M. Calvo Gomez36,o, A. Camboni36, P. Campana18,38, D. Campora Perez38, F. Caponio21, A. Carbone14,d, G. Carboni24,l, R. Cardinale19,j, A. Cardini15, H. Carranza-Mejia50, L. Carson50, K. Carvalho Akiba2, G. Casse52, L. Cassina20, L. Castillo Garcia38, M. Cattaneo38, Ch. Cauet9, R. Cenci58, M. Charles8, Ph. Charpentier38, S.-F. Cheung55, N. Chiapolini40, M. Chrzaszcz40,26, K. Ciba38, X. Cid Vidal38, G. Ciezarek53, P.E.L. Clarke50, M. Clemencic38, H.V. Cliff47, J. Closier38, C. Coca29, V. Coco38, J. Cogan6, E. Cogneras5, P. Collins38, A. Comerma-Montells36, A. Contu15,38, A. Cook46, M. Coombes46, S. Coquereau8, G. Corti38, I. Counts56, B. Couturier38, G.A. Cowan50, D.C. Craik48, M. Cruz Torres60, S. Cunliffe53, R. Currie50, C. D’Ambrosio38, J. Dalseno46, P. David8, P.N.Y. David41, A. Davis57, I. De Bonis4, K. De Bruyn41, S. De Capua54, M. De Cian11, J.M. De Miranda1, L. De Paula2, W. De Silva57, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, N. Déléage4, D. Derkach55, O. Deschamps5, F. Dettori42, A. Di Canto11, H. Dijkstra38, S. Donleavy52, F. Dordei11, M. Dorigo39, P. Dorosz26,n, A. Dosil Suárez37, D. Dossett48, A. Dovbnya43, F. Dupertuis39, P. Durante38, R. Dzhelyadin35, A. Dziurda26, A. Dzyuba30, S. Easo49, U. Egede53, V. Egorychev31, S. Eidelman34, S. Eisenhardt50, U. Eitschberger9, R. Ekelhof9, L. Eklund51,38, I. El Rifai5, Ch. Elsasser40, S. Esen11, A. Falabella16,f, C. Färber11, C. Farinelli41, S. Farry52, D. Ferguson50, V. Fernandez Albor37, F. Ferreira Rodrigues1, M. Ferro-Luzzi38, S. Filippov33, M. Fiore16,f, M. Fiorini16,f, C. Fitzpatrick38, M. Fontana10, F. Fontanelli19,j, R. Forty38, O. Francisco2, M. Frank38, C. Frei38, M. Frosini17,38,g, J. Fu21, E. Furfaro24,l, A. Gallas Torreira37, D. Galli14,d, S. Gambetta19,j, M. Gandelman2, P. Gandini59, Y. Gao3, J. Garofoli59, J. Garra Tico47, L. Garrido36, C. Gaspar38, R. Gauld55, L. Gavardi9, E. Gersabeck11, M. Gersabeck54, T. Gershon48, Ph. Ghez4, A. Gianelle22, S. Giani’39, V. Gibson47, L. Giubega29, V.V. Gligorov38, C. Göbel60, D. Golubkov31, A. Golutvin53,31,38, A. Gomes1,a, H. Gordon38, M. Grabalosa Gándara5, R. Graciani Diaz36, L.A. Granado Cardoso38, E. Graugés36, G. Graziani17, A. Grecu29, E. Greening55, S. Gregson47, P. Griffith45, L. Grillo11, O. Grünberg61, B. Gui59, E. Gushchin33, Yu. Guz35,38, T. Gys38, C. Hadjivasiliou59, G. Haefeli39, C. Haen38, T.W. Hafkenscheid64, S.C. Haines47, S. Hall53, B. Hamilton58, T. Hampson46, S. Hansmann-Menzemer11, N. Harnew55, S.T. Harnew46, J. Harrison54, T. Hartmann61, J. He38, T. Head38, V. Heijne41, K. Hennessy52, P. Henrard5, L. Henry8, J.A. Hernando Morata37, E. van Herwijnen38, M. Heß61, A. Hicheur1, D. Hill55, M. Hoballah5, C. Hombach54, W. Hulsbergen41, P. Hunt55, N. Hussain55, D. Hutchcroft52, D. Hynds51, M. Idzik27, P. Ilten56, R. Jacobsson38, A. Jaeger11, E. Jans41, P. Jaton39, A. Jawahery58, F. Jing3, M. John55, D. Johnson55, C.R. Jones47, C. Joram38, B. Jost38, N. Jurik59, M. Kaballo9, S. Kandybei43, W. Kanso6, M. Karacson38, T.M. Karbach38, M. Kelsey59, I.R. Kenyon45, T. Ketel42, B. Khanji20, C. Khurewathanakul39, S. Klaver54, O. Kochebina7, I. Komarov39, R.F. Koopman42, P. Koppenburg41, M. Korolev32, A. Kozlinskiy41, L. Kravchuk33, K. Kreplin11, M. Kreps48, G. Krocker11, P. Krokovny34, F. Kruse9, M. Kucharczyk20,26,38,k, V. Kudryavtsev34, K. Kurek28, T. Kvaratskheliya31,38, V.N. La Thi39, D. Lacarrere38, G. Lafferty54, A. Lai15, D. Lambert50, R.W. Lambert42, E. Lanciotti38, G. Lanfranchi18, C. Langenbruch38, B. Langhans38, T. Latham48, C. Lazzeroni45, R. Le Gac6, J. van Leerdam41, J.-P. Lees4, R. Lefèvre5, A. Leflat32, J. Lefrançois7, S. Leo23, O. Leroy6, T. Lesiak26, B. Leverington11, Y. Li3, M. Liles52, R. Lindner38, C. Linn38, F. Lionetto40, B. Liu15, G. Liu38, S. Lohn38, I. Longstaff51, J.H. Lopes2, N. Lopez-March39, P. Lowdon40, H. Lu3, D. Lucchesi22,q, H. Luo50, E. Luppi16,f, O. Lupton55, F. Machefert7, I.V. Machikhiliyan31, F. Maciuc29, O. Maev30,38, S. Malde55, G. Manca15,e, G. Mancinelli6, M. Manzali16,f, J. Maratas5, U. Marconi14, C. Marin Benito36, P. Marino23,s, R. Märki39, J. Marks11, G. Martellotti25, A. Martens8, A. Martín Sánchez7, M. Martinelli41, D. Martinez Santos42, F. Martinez Vidal63, D. Martins Tostes2, A. Massafferri1, R. Matev38, Z. Mathe38, C. Matteuzzi20, A. Mazurov16,38,f, M. McCann53, J. McCarthy45, A. McNab54, R. McNulty12, B. McSkelly52, B. Meadows57,55, F. Meier9, M. Meissner11, M. Merk41, D.A. Milanes8, M.-N. Minard4, J. Molina Rodriguez60, S. Monteil5, D. Moran54, M. Morandin22, P. Morawski26, A. Mordà6, M.J. Morello23,s, R. Mountain59, F. Muheim50, K. Müller40, R. Muresan29, B. Muryn27, B. Muster39, P. Naik46, T. Nakada39, R. Nandakumar49, I. Nasteva1, M. Needham50, N. Neri21, S. Neubert38, N. Neufeld38, A.D. Nguyen39, T.D. Nguyen39, C. Nguyen-Mau39,p, M. Nicol7, V. Niess5, R. Niet9, N. Nikitin32, T. Nikodem11, A. Novoselov35, A. Oblakowska- Mucha27, V. Obraztsov35, S. Oggero41, S. Ogilvy51, O. Okhrimenko44, R. Oldeman15,e, G. Onderwater64, M. Orlandea29, J.M. Otalora Goicochea2, P. Owen53, A. Oyanguren36, B.K. Pal59, A. Palano13,c, F. Palombo21,t, M. Palutan18, J. Panman38, A. Papanestis49,38, M. Pappagallo51, L. Pappalardo16, C. Parkes54, C.J. Parkinson9, G. Passaleva17, G.D. Patel52, M. Patel53, C. Patrignani19,j, C. Pavel-Nicorescu29, A. Pazos Alvarez37, A. Pearce54, A. Pellegrino41, M. Pepe Altarelli38, S. Perazzini14,d, E. Perez Trigo37, P. Perret5, M. Perrin-Terrin6, L. Pescatore45, E. Pesen65, G. Pessina20, K. Petridis53, A. Petrolini19,j, E. Picatoste Olloqui36, B. Pietrzyk4, T. Pilař48, D. Pinci25, A. Pistone19, S. Playfer50, M. Plo Casasus37, F. Polci8, A. Poluektov48,34, E. Polycarpo2, A. Popov35, D. Popov10, B. Popovici29, C. Potterat36, A. Powell55, J. Prisciandaro39, A. Pritchard52, C. Prouve46, V. Pugatch44, A. Puig Navarro39, G. Punzi23,r, W. Qian4, B. Rachwal26, J.H. Rademacker46, B. Rakotomiaramanana39, M. Rama18, M.S. Rangel2, I. Raniuk43, N. Rauschmayr38, G. Raven42, S. Reichert54, M.M. Reid48, A.C. dos Reis1, S. Ricciardi49, A. Richards53, K. Rinnert52, V. Rives Molina36, D.A. Roa Romero5, P. Robbe7, D.A. Roberts58, A.B. Rodrigues1, E. Rodrigues54, P. Rodriguez Perez37, S. Roiser38, V. Romanovsky35, A. Romero Vidal37, M. Rotondo22, J. Rouvinet39, T. Ruf38, F. Ruffini23, H. Ruiz36, P. Ruiz Valls36, G. Sabatino25,l, J.J. Saborido Silva37, N. Sagidova30, P. Sail51, B. Saitta15,e, V. Salustino Guimaraes2, B. Sanmartin Sedes37, R. Santacesaria25, C. Santamarina Rios37, E. Santovetti24,l, M. Sapunov6, A. Sarti18, C. Satriano25,m, A. Satta24, M. Savrie16,f, D. Savrina31,32, M. Schiller42, H. Schindler38, M. Schlupp9, M. Schmelling10, B. Schmidt38, O. Schneider39, A. Schopper38, M.-H. Schune7, R. Schwemmer38, B. Sciascia18, A. Sciubba25, M. Seco37, A. Semennikov31, K. Senderowska27, I. Sepp53, N. Serra40, J. Serrano6, P. Seyfert11, M. Shapkin35, I. Shapoval16,43,f, Y. Shcheglov30, T. Shears52, L. Shekhtman34, O. Shevchenko43, V. Shevchenko62, A. Shires9, R. Silva Coutinho48, G. Simi22, M. Sirendi47, N. Skidmore46, T. Skwarnicki59, N.A. Smith52, E. Smith55,49, E. Smith53, J. Smith47, M. Smith54, H. Snoek41, M.D. Sokoloff57, F.J.P. Soler51, F. Soomro39, D. Souza46, B. Souza De Paula2, B. Spaan9, A. Sparkes50, F. Spinella23, P. Spradlin51, F. Stagni38, S. Stahl11, O. Steinkamp40, S. Stevenson55, S. Stoica29, S. Stone59, B. Storaci40, S. Stracka23,38, M. Straticiuc29, U. Straumann40, R. Stroili22, V.K. Subbiah38, L. Sun57, W. Sutcliffe53, S. Swientek9, V. Syropoulos42, M. Szczekowski28, P. Szczypka39,38, D. Szilard2, T. Szumlak27, S. T’Jampens4, M. Teklishyn7, G. Tellarini16,f, E. Teodorescu29, F. Teubert38, C. Thomas55, E. Thomas38, J. van Tilburg11, V. Tisserand4, M. Tobin39, S. Tolk42, L. Tomassetti16,f, D. Tonelli38, S. Topp-Joergensen55, N. Torr55, E. Tournefier4,53, S. Tourneur39, M.T. Tran39, M. Tresch40, A. Tsaregorodtsev6, P. Tsopelas41, N. Tuning41, M. Ubeda Garcia38, A. Ukleja28, A. Ustyuzhanin62, U. Uwer11, V. Vagnoni14, G. Valenti14, A. Vallier7, R. Vazquez Gomez18, P. 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Zvyagin38. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Milano, Milano, Italy 22Sezione INFN di Padova, Padova, Italy 23Sezione INFN di Pisa, Pisa, Italy 24Sezione INFN di Roma Tor Vergata, Roma, Italy 25Sezione INFN di Roma La Sapienza, Roma, Italy 26Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 27AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 28National Center for Nuclear Research (NCBJ), Warsaw, Poland 29Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 30Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 31Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 32Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 33Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 34Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 35Institute for High Energy Physics (IHEP), Protvino, Russia 36Universitat de Barcelona, Barcelona, Spain 37Universidad de Santiago de Compostela, Santiago de Compostela, Spain 38European Organization for Nuclear Research (CERN), Geneva, Switzerland 39Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 40Physik-Institut, Universität Zürich, Zürich, Switzerland 41Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 42Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 43NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 44Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 45University of Birmingham, Birmingham, United Kingdom 46H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 47Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 48Department of Physics, University of Warwick, Coventry, United Kingdom 49STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 50School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 51School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 52Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 53Imperial College London, London, United Kingdom 54School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 55Department of Physics, University of Oxford, Oxford, United Kingdom 56Massachusetts Institute of Technology, Cambridge, MA, United States 57University of Cincinnati, Cincinnati, OH, United States 58University of Maryland, College Park, MD, United States 59Syracuse University, Syracuse, NY, United States 60Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 61Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 62National Research Centre Kurchatov Institute, Moscow, Russia, associated to 31 63Instituto de Fisica Corpuscular (IFIC), Universitat de Valencia-CSIC, Valencia, Spain, associated to 36 64KVI - University of Groningen, Groningen, The Netherlands, associated to 41 65Celal Bayar University, Manisa, Turkey, associated to 38 aUniversidade Federal do Triângulo Mineiro (UFTM), Uberaba-MG, Brazil bP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia cUniversità di Bari, Bari, Italy dUniversità di Bologna, Bologna, Italy eUniversità di Cagliari, Cagliari, Italy fUniversità di Ferrara, Ferrara, Italy gUniversità di Firenze, Firenze, Italy hUniversità di Urbino, Urbino, Italy iUniversità di Modena e Reggio Emilia, Modena, Italy jUniversità di Genova, Genova, Italy kUniversità di Milano Bicocca, Milano, Italy lUniversità di Roma Tor Vergata, Roma, Italy mUniversità della Basilicata, Potenza, Italy nAGH - University of Science and Technology, Faculty of Computer Science, Electronics and Telecommunications, Kraków, Poland oLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain pHanoi University of Science, Hanoi, Viet Nam qUniversità di Padova, Padova, Italy rUniversità di Pisa, Pisa, Italy sScuola Normale Superiore, Pisa, Italy tUniversità degli Studi di Milano, Milano, Italy The Standard Model (SM) predicts that the photon emitted from the electroweak penguin loop in ${b}\\!\rightarrow{s}{\gamma}$ transitions is predominantly left-handed, since the recoiling $s$ quark that couples to a $W$ boson is left-handed. This implies maximal parity violation up to small corrections of the order $m_{{s}}/m_{{b}}$. While the measured inclusive ${b}\\!\rightarrow{s}{\gamma}$ rate [1] agrees with the SM calculations, no direct evidence exists for a nonzero photon polarization in this type of decays. Several extensions of the SM [2, *Mohapatra:1974gc, *Mohapatra:1974hk, *Senjanovic:1975rk, *Senjanovic:1978ev, *Mohapatra:1980yp, *Lim:1981kv, *Everett:2001yy], compatible with all current measurements, predict that the photon acquires a significant right-handed component, in particular due to the exchange of a heavy fermion in the penguin loop [10]. This Letter presents a study of the radiative decay ${{{B}^{+}}}\\!\rightarrow{{K}^{+}}{{\pi}^{-}}{{\pi}^{+}}{\gamma}$, previously observed at the $B$ factories with a measured branching fraction of $(27.6\pm 2.2)\times 10^{-6}$ [11, 12, 1]. The inclusion of charge-conjugate processes is implied throughout. Information about the photon polarization is obtained from the angular distribution of the photon direction with respect to the normal to the plane defined by the momenta of the three final-state hadrons in their center-of-mass frame. The shape of this distribution, including the _up- down asymmetry_ between the number of events with the photon on either side of the plane, is determined. This investigation is conceptually similar to the historical experiment that discovered parity violation by measuring the up- down asymmetry of the direction of a particle emitted in a weak decay with respect to an axial vector [13]. In ${{{B}^{+}}}\\!\rightarrow{{K}^{+}}{{\pi}^{-}}{{\pi}^{+}}{\gamma}$ decays, the up-down asymmetry is proportional to the photon polarization $\lambda_{\gamma}$ [14, 15] and therefore measuring a value different from zero corresponds to demonstrating that the photon is polarized. The currently limited knowledge of the structure of the ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass spectrum, which includes interfering kaon resonances, prevents the translation of a measured asymmetry into an actual value for $\lambda_{\gamma}$. The differential ${{{B}^{+}}}\\!\rightarrow{{K}^{+}}{{\pi}^{-}}{{\pi}^{+}}{\gamma}$ decay rate can be described in terms of $\theta$, defined in the rest frame of the final state hadrons as the angle between the direction opposite to the photon momentum $\vec{p}_{\gamma}$ and the normal $\vec{p}_{\pi,\text{slow}}\times\vec{p}_{\pi,\text{fast}}$ to the ${K}^{+}{\pi}^{-}{\pi}^{+}$ plane, where $\vec{p}_{\pi,\text{slow}}$ and $\vec{p}_{\pi,\text{fast}}$ correspond to the momenta of the lower and higher momentum pions, respectively. Following the notation and developments of Ref. [14], the differential decay rate of ${{{B}^{+}}}\\!\rightarrow{{K}^{+}}{{\pi}^{-}}{{\pi}^{+}}{\gamma}$ can be written as a fourth-order polynomial in $\cos\theta$ $\displaystyle\frac{\operatorname{d}\\!\Gamma}{\operatorname{d}\\!s\operatorname{d}\\!s_{13}\operatorname{d}\\!s_{23}\operatorname{d}\\!\cos\theta}\propto\sum_{i=0,2,4}a_{i}(s,s_{13},s_{23})\cos^{i}\theta+\lambda_{\gamma}\sum_{j=1,3}a_{j}(s,s_{13},s_{23})\cos^{j}\theta\,,$ (1) where $s_{ij}=(p_{i}+p_{j})^{2}$ and $s=(p_{1}+p_{2}+p_{3})^{2}$, and $p_{1}$, $p_{2}$ and $p_{3}$ are the four-momenta of the ${\pi}^{-}$, ${\pi}^{+}$ and ${K}^{+}$ mesons, respectively. The functions $a_{k}$ depend on the resonances present in the ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass range of interest and their interferences. The up-down asymmetry is defined as $\mathcal{A}_{\text{ud}}\equiv\frac{\int_{0}^{1}\operatorname{d}\\!\cos\theta\frac{\operatorname{d}\\!\Gamma}{\operatorname{d}\\!\cos\theta}-\int_{-1}^{0}\operatorname{d}\\!\cos\theta\frac{\operatorname{d}\\!\Gamma}{\operatorname{d}\\!\cos\theta}}{\int_{-1}^{1}\operatorname{d}\\!\cos\theta\frac{\operatorname{d}\\!\Gamma}{\operatorname{d}\\!\cos\theta}}\,,$ (2) which is proportional to $\lambda_{\gamma}$. The LHCb detector [16] is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. The detector includes a high-precision tracking system consisting of a silicon-strip vertex detector surrounding the $pp$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes placed downstream. The combined tracking system provides a momentum measurement with relative uncertainty that varies from 0.4% at 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6% at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and impact parameter resolution of 20${\,\upmu\rm m}$ for tracks with a few ${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ of transverse momentum ($p_{\rm T}$). Different types of charged hadrons are distinguished by information from two ring-imaging Cherenkov detectors. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and preshower detectors, an electromagnetic calorimeter and a hadronic calorimeter. The trigger consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage, which applies a full event reconstruction. Samples of simulated events are used to understand signal and backgrounds. In the simulation, $pp$ collisions are generated using Pythia [17, *Sjostrand:2007gs] with a specific LHCb configuration [19]. Decays of hadronic particles are described by EvtGen [20], in which final state radiation is generated using Photos [21]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [22, *Agostinelli:2002hh] as described in Ref. [24]. This analysis is based on the LHCb data sample collected from $pp$ collisions at $7$ and $8$ TeV center-of-mass energies in 2011 and 2012, respectively, corresponding to $3~{}\mbox{\,fb}^{-1}$ of integrated luminosity. The ${{{B}^{+}}}\\!\rightarrow{{K}^{+}}{{\pi}^{-}}{{\pi}^{+}}{\gamma}$ candidates are built from a photon candidate and a hadronic system reconstructed from a kaon and two oppositely charged pions satisfying particle identification requirements. Each of the hadrons is required to have a minimum $p_{\rm T}$ of $0.5\,{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and at least one of them needs to have a $p_{\rm T}$ larger than $1.2\,{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. The isolation of the ${K}^{+}{\pi}^{-}{\pi}^{+}$ vertex from other tracks in the event is ensured by requiring that the $\chi^{2}$ of the three-track vertex fit and the $\chi^{2}$ of all possible vertices that can be obtained by adding an extra track differ by more than $2$. The ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass is required to be in the $[1.1,1.9]\,$${\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$ range. High transverse energy ($>3.0\,\mathrm{\,Ge\kern-1.00006ptV}$) photon candidates are constructed from energy depositions in the electromagnetic calorimeter. The absence of tracks pointing to the calorimeter is used to distinguish neutral from charged electromagnetic particles. A multivariate algorithm based on the energy cluster shape parameters is used to reject approximately $65\,\%$ of the ${{\pi}^{0}}\\!\rightarrow{\gamma}{\gamma}$ background in which the two photons are reconstructed as a single cluster, while keeping about $95\,\%$ of the signal photons. The ${{B}^{+}}$ candidate mass is required to be in the $[4.3,6.9]\,$${\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$ range. Backgrounds that are expected to peak in this mass range are suppressed by removing all candidates consistent with a $\bar{{D}^{0}}\\!\rightarrow{{K}^{+}}{{\pi}^{-}}{{\pi}^{0}}$ or $\rho^{+}\\!\rightarrow{{\pi}^{+}}{{\pi}^{0}}$ decay when the photon candidate is assumed to be a ${\pi}^{0}$. A boosted decision tree [25, 26] is used to further improve the separation between signal and background. Its training is based on the following variables: the impact parameter $\chi^{2}$ of the ${{B}^{+}}$ meson and of each of the final state hadrons, defined as the difference between the $\chi^{2}$ of a primary vertex (PV) reconstructed with and without the considered particle; the cosine of the angle between the reconstructed ${{B}^{+}}$ momentum and the vector pointing from the PV to the ${{B}^{+}}$ decay vertex; the flight distance of the ${{B}^{+}}$ meson; and the ${K}^{+}{\pi}^{-}{\pi}^{+}$ vertex $\chi^{2}$. The mass distribution of the selected ${{{B}^{+}}}\\!\rightarrow{{K}^{+}}{{\pi}^{-}}{{\pi}^{+}}{\gamma}$ signal is modeled with a double-tailed Crystal Ball [27] probability density function (PDF), with power-law tails above and below the $B$ mass. The four tail parameters are fixed from simulation; the width of the signal peak is fit separately for 2011 and 2012 data to account for differences in calorimeter calibration. Combinatorial and partially reconstructed backgrounds are considered in the fit, the former modeled with an exponential PDF, the latter described using an ARGUS PDF [28] convolved with a Gaussian function with the same width as the signal to account for the photon energy resolution. The contribution to the partially reconstructed background from events with only one missing pion is considered separately. The fit of the mass distribution of the selected ${{{B}^{+}}}\\!\rightarrow{{K}^{+}}{{\pi}^{-}}{{\pi}^{+}}{\gamma}$ candidates (Fig. 1) returns a total signal yield of $13\,876\pm 153$ events, the largest sample recorded for this channel to date. Figure 1: Mass distribution of the selected ${{{B}^{+}}}\\!\rightarrow{{K}^{+}}{{\pi}^{-}}{{\pi}^{+}}{\gamma}$ candidates. The blue solid curve shows the fit results as the sum of the following components: signal (red solid), combinatorial background (green dotted), missing pion background (black dashed) and other partially reconstructed backgrounds (purple dash-dotted). Figure 2 shows the background-subtracted ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass spectrum determined using the technique of Ref. [29], after constraining the $B$ mass to its nominal value. Figure 2: Background-subtracted ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass distribution of the ${{{B}^{+}}}\\!\rightarrow{{K}^{+}}{{\pi}^{-}}{{\pi}^{+}}{\gamma}$ signal. The four intervals of interest, separated by dashed lines, are shown. No peak other than that of the ${K}_{1}(1270)^{+}$ resonance can be clearly identified. Many kaon resonances, with various masses, spins and angular momenta, are expected to contribute and interfere in the considered mass range [1]. The contributions from single resonances cannot be isolated because of the complicated structure of the ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass spectrum. The up-down asymmetry is thus studied inclusively in four intervals of ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass. The $[1.4,1.6]\,{\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$ interval, studied in Ref. [14], includes the ${K}_{1}(1400)^{+}$, ${K}^{*}_{2}(1430)^{+}$ and ${K}^{*}(1410)^{+}$ resonances with small contributions from the upper tail of the ${K}_{1}(1270)^{+}$. At the time of the writing of Ref. [14], the ${K}_{1}(1400)^{+}$ was believed to be the dominant $1^{+}$ resonance, so the ${K}_{1}(1270)^{+}$ was not considered. However, subsequent experimental results [30] demonstrated that the ${K}_{1}(1270)^{+}$ is more prominent than the ${K}_{1}(1400)^{+}$, hence the $[1.1,1.3]\,{\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$ interval is also studied here. The $[1.3,1.4]\,{\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$ mass interval, which contains the overlap region between the two $K_{1}$ resonances, and the $[1.6,1.9]\,{\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$ high mass interval, which includes spin-2 and spin-3 resonances, are also considered. In each of the four ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass intervals, a simultaneous fit to the $B$-candidate mass spectra in bins of the photon angle is performed in order to determine the background-subtracted angular distribution; the previously described PDF is used to model the mass spectrum in each bin, with all of the fit parameters being shared except for the yields. Since the sign of the photon polarization depends on the sign of the electric charge of the $B$ candidate, the angular variable $\cos\hat{{\theta}}\equiv\operatorname{charge}({B})\cos\theta\,$ is used. The resulting background-subtracted $\cos\hat{{\theta}}$ distribution, corrected for the selection acceptance and normalized to the inverse of the bin width, is fit with a fourth-order polynomial function normalized to unit area, $f(\cos\hat{{\theta}};c_{0}\\!=\\!0.5,c_{1},c_{2},c_{3},c_{4})=\sum_{i=0}^{4}c_{i}L_{i}(\cos\hat{{\theta}})\,,$ (3) where $L_{i}(x)$ is the Legendre polynomial of order $i$ and $c_{i}$ is the corresponding coefficient. Using Eqs. 1 and 3 the up-down asymmetry defined in Eq. 2 can be expressed as $\mathcal{A}_{\text{ud}}=c_{1}-\frac{c_{3}}{4}\,\,.$ (4) As a cross-check, the up-down asymmetry in each mass interval is also determined with a counting method, rather than an angular fit, as well as considering separately the ${{B}^{+}}$ and ${{B}^{-}}$ candidates. All these checks yield compatible results. The results obtained from a $\chi^{2}$ fit of the normalized binned angular distribution, performed taking into account the full covariance matrix of the bin contents and all of the systematic uncertainties, are summarized in Table 1. These systematic uncertainties account for the effect of choosing a different fit model, the impact of the limited size of the simulated samples on the fixed parameters, and the possibility of some events migrating from a bin to its neighbor because of the detector resolution, which gives the dominant contribution. The systematic uncertainty associated with the fit model is determined by performing the mass fit using several alternative PDFs, while the other two are estimated with simulated pseudoexperiments. Such uncertainties, despite being of the same size as the statistical uncertainty, do not substantially affect the fit results since they are strongly correlated across all angular bins. The fitted distributions in the four ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass intervals of interest are shown in Fig. 3. In order to illustrate the effect of the up-down asymmetry, the results of another fit imposing $c_{1}=c_{3}=0$, hence forbidding the terms that carry the $\lambda_{\gamma}$ dependence, are overlaid for comparison. Figure 3: Distributions of $\cos\hat{{\theta}}$ for ${{{B}^{+}}}\\!\rightarrow{{K}^{+}}{{\pi}^{-}}{{\pi}^{+}}{\gamma}$ signal in four intervals of ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass. The solid blue (dashed red) curves are the result of fits allowing all (only even) Legendre components up to the fourth power. The combined significance of the observed up-down asymmetries is determined from a $\chi^{2}$ test where the null hypothesis is defined as $\lambda_{\gamma}=0$, implying that the up-down asymmetry is expected to be zero in each mass interval. The corresponding $\chi^{2}$ distribution has four degrees of freedom, and the observed value corresponds to a p-value of $1.7\times 10^{-7}$. This translates into a $5.2\,\sigma$ significance for nonzero up-down asymmetry. Up-down asymmetries can be computed also for an alternative definition of the photon angle, obtained using the normal $\vec{p}_{{{\pi}^{-}}}\times\vec{p}_{{{\pi}^{+}}}$ instead of $\vec{p}_{\pi,\text{slow}}\times\vec{p}_{\pi,\text{fast}}$. The obtained values, along with the relative fit coefficients, are listed in Table 2. Table 1: Legendre coefficients obtained from fits to the normalized background-subtracted $\cos\hat{{\theta}}$ distribution in the four ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass intervals of interest. The up-down asymmetries are obtained from Eq. 4. The quoted uncertainties contain statistical and systematic contributions. The ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass ranges are indicated in ${\mathrm{\,Ge\kern-0.90005ptV\\!/}c^{2}}$ and all the parameters are expressed in units of $10^{-2}$. The covariance matrices are given in the supplementary material. | $[1.1,1.3]$ | $[1.3,1.4]$ | $[1.4,1.6]$ | $[1.6,1.9]$ ---|---|---|---|--- $c_{1}$ | $6.3$ | $\pm$ | $1.7$ | $5.4$ | $\pm$ | $2.0$ | $4.3$ | $\pm$ | $1.9$ | $-4.6$ | $\pm$ | $1.8$ $c_{2}$ | $31.6$ | $\pm$ | $2.2$ | $27.0$ | $\pm$ | $2.6$ | $43.1$ | $\pm$ | $2.3$ | $28.0$ | $\pm$ | $2.3$ $c_{3}$ | $-2.1$ | $\pm$ | $2.6$ | $2.0$ | $\pm$ | $3.1$ | $-5.2$ | $\pm$ | $2.8$ | $-0.6$ | $\pm$ | $2.7$ $c_{4}$ | $3.0$ | $\pm$ | $3.0$ | $6.8$ | $\pm$ | $3.6$ | $8.1$ | $\pm$ | $3.1$ | $-6.2$ | $\pm$ | $3.2$ $\mathcal{A}_{\text{ud}}$ | $6.9$ | $\pm$ | $1.7$ | $4.9$ | $\pm$ | $2.0$ | $5.6$ | $\pm$ | $1.8$ | $-4.5$ | $\pm$ | $1.9$ Table 2: Legendre coefficients obtained from fits to the normalized background-subtracted $\cos\hat{{\theta}}$ distribution, using the alternative normal $\vec{p}_{{{\pi}^{-}}}\times\vec{p}_{{{\pi}^{+}}}$ for defining the direction of the photon, in the four ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass intervals of interest. The up-down asymmetries are obtained from Eq. 4. The quoted uncertainties contain statistical and systematic contributions. The ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass ranges are indicated in ${\mathrm{\,Ge\kern-0.90005ptV\\!/}c^{2}}$ and all the parameters are expressed in units of $10^{-2}$. The covariance matrices are given in the supplementary material. | $[1.1,1.3]$ | $[1.3,1.4]$ | $[1.4,1.6]$ | $[1.6,1.9]$ ---|---|---|---|--- $c_{1}^{\prime}$ | $-0.9$ | $\pm$ | $1.7$ | $7.4$ | $\pm$ | $2.0$ | $5.3$ | $\pm$ | $1.9$ | $-3.4$ | $\pm$ | $1.8$ $c_{2}^{\prime}$ | $31.6$ | $\pm$ | $2.2$ | $27.4$ | $\pm$ | $2.6$ | $43.6$ | $\pm$ | $2.3$ | $27.8$ | $\pm$ | $2.3$ $c_{3}^{\prime}$ | $0.8$ | $\pm$ | $2.6$ | $0.8$ | $\pm$ | $3.1$ | $-4.4$ | $\pm$ | $2.8$ | $2.3$ | $\pm$ | $2.7$ $c_{4}^{\prime}$ | $3.4$ | $\pm$ | $3.0$ | $7.0$ | $\pm$ | $3.6$ | $8.0$ | $\pm$ | $3.1$ | $-6.6$ | $\pm$ | $3.2$ $\mathcal{A}^{\prime}_{\text{ud}}$ | $-1.1$ | $\pm$ | $1.7$ | $7.2$ | $\pm$ | $2.0$ | $6.4$ | $\pm$ | $1.8$ | $-3.9$ | $\pm$ | $1.9$ To summarize, a study of the inclusive flavor-changing neutral current radiative ${{{B}^{+}}}\\!\rightarrow{{K}^{+}}{{\pi}^{-}}{{\pi}^{+}}{\gamma}$ decay, with the ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass in the $[1.1,1.9]\,{\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$ range, is performed on a data sample corresponding to an integrated luminosity of $3\,\mbox{\,fb}^{-1}$ collected in $pp$ collisions at $7$ and $8$ TeV center-of-mass energies by the LHCb detector. A total of $13\,876\pm 153$ signal events is observed. The shape of the angular distribution of the photon with respect to the plane defined by the three final-state hadrons in their rest frame is determined in four intervals of interest in the ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass spectrum. The up-down asymmetry, which is proportional to the photon polarization, is measured for the first time for each of these ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass intervals. The first observation of a parity-violating photon polarization different from zero at the $5.2\,\sigma$ significance level in ${b}\\!\rightarrow{s}{\gamma}$ transitions is reported. The shape of the photon angular distribution in each bin, as well as the values for the up-down asymmetry, may be used, if theoretical predictions become available, to determine for the first time a value for the photon polarization, and thus constrain the effects of physics beyond the SM in the ${b}\\!\rightarrow{s}{\gamma}$ sector. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); MEN/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). We are indebted towards the communities behind the multiple open source software packages we depend on. We are also thankful for the computing resources and the access to software R&D tools provided by Yandex LLC (Russia). ## References * [1] Particle Data Group, J. Beringer et al., Review of particle physics, Phys. Rev. D86 (2012) 010001, and 2013 partial update for the 2014 edition * [2] J. C. Pati and A. Salam, Lepton number as the fourth color, Phys. Rev. D10 (1974) 275, Erratum-ibid. D11 (1975) 703 * [3] R. Mohapatra and J. C. Pati, A natural left-right symmetry, Phys. Rev. D11 (1975) 2558 * [4] R. N. Mohapatra and J. C. Pati, Left-right gauge symmetry and an isoconjugate model of CP violation, Phys. Rev. D11 (1975) 566 * [5] G. Senjanovic and R. N. Mohapatra, Exact left-right symmetry and spontaneous violation of parity, Phys. Rev. D12 (1975) 1502 * [6] G. Senjanovic, Spontaneous breakdown of parity in a class of gauge theories, Nucl. Phys. B153 (1979) 334 * [7] R. N. Mohapatra and G. Senjanovic, Neutrino masses and mixings in gauge models with spontaneous parity violation, Phys. Rev. D23 (1981) 165 * [8] C. Lim and T. Inami, Lepton flavor nonconservation and the mass generation mechanism for neutrinos, Prog. Theor. 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Albrecht et al., Search for hadronic $b\rightarrow u$ decays, Phys. Lett. B241 (1990) 278 * [29] M. Pivk and F. R. Le Diberder, sPlot: a statistical tool to unfold data distributions, Nucl. Instrum. Meth. A555 (2005) 356, arXiv:physics/0402083 * [30] Belle collaboration, H. Yang et al., Observation of $B^{+}\rightarrow K_{1}(1270)^{+}\gamma$, Phys. Rev. Lett. 94 (2005) 111802, arXiv:hep-ex/0412039 ## Supplementary material The covariance matrices obtained from the fit described in the Letter for both photon angle definitions are shown in Tables 3d and 4d. Table 3: Covariance matrices (in units of $10^{-3}$) for the fitted values of $c_{1}$, $c_{2}$, $c_{3}$ and $c_{4}$ of Table 1, for the four ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass intervals. $\begin{pmatrix}{\phantom{+}}0.31&\phantom{+0.01}&\phantom{+0.09}&\phantom{-0.01}\\\ 0.01&0.47&&\\\ 0.09&0.03&0.68&\\\ -0.01&0.16&0.02&0.92\\\ \end{pmatrix}$ (a) $\begin{pmatrix}0.41&\phantom{+0.02}&\phantom{+0.12}&\phantom{+0.00}\\\ 0.02&0.66&&\\\ 0.12&0.04&0.93&\\\ 0.00&0.20&0.04&1.27\\\ \end{pmatrix}$ (b) $\begin{pmatrix}0.35&\phantom{-0.01}&&\phantom{-0.03}\\\ -0.01&0.52&&\\\ 0.14&0.00&0.76&\\\ -0.03&0.23&-0.01&0.99\\\ \end{pmatrix}$ (c) $\begin{pmatrix}0.34&\phantom{-0.02}&\phantom{0.08}&\phantom{-0.02}\\\ -0.02&0.51&&\\\ 0.08&-0.04&0.75&\\\ -0.02&0.15&-0.04&1.01\\\ \end{pmatrix}$ (d) Table 4: Covariance matrices (in units of $10^{-3}$) for the fitted values of $c^{\prime}_{1}$, $c^{\prime}_{2}$, $c^{\prime}_{3}$ and $c^{\prime}_{4}$ of Table 2, for the four ${K}^{+}{\pi}^{-}{\pi}^{+}$ mass intervals. $\begin{pmatrix}0.30&\phantom{+0.00}&\phantom{+0.09}&\phantom{+0.02}\\\ 0.00&0.47&&\\\ 0.09&0.02&0.68&\\\ 0.02&0.16&0.02&0.92\\\ \end{pmatrix}$ (a) $\begin{pmatrix}0.41&\phantom{+0.03}&\phantom{+0.12}&\phantom{+0.01}\\\ 0.03&0.66&&\\\ 0.12&0.07&0.93&\\\ 0.01&0.20&0.10&1.27\\\ \end{pmatrix}$ (b) $\begin{pmatrix}0.35&\phantom{+0.01}&\phantom{+0.14}&\phantom{+0.00}\\\ 0.01&0.53&&\\\ 0.14&0.05&0.76&\\\ 0.00&0.24&0.03&0.99\\\ \end{pmatrix}$ (c) $\begin{pmatrix}0.34&\phantom{+0.00}&\phantom{+0.08}&\phantom{+0.02}\\\ 0.00&0.51&&\\\ 0.08&0.00&0.75&\\\ 0.02&0.15&-0.01&1.01\\\ \end{pmatrix}$ (d)
arxiv-papers
2014-02-27T10:24:51
2024-09-04T02:49:58.997192
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, B. Adeva, M. Adinolfi, A. Affolder, Z.\n Ajaltouni, J. Albrecht, F. Alessio, M. Alexander, S. Ali, G. Alkhazov, P.\n Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio, Y. Amhis, L. Anderlini,\n J. Anderson, R. Andreassen, M. Andreotti, J.E. Andrews, R.B. Appleby, O.\n Aquines Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G.\n Auriemma, M. Baalouch, S. Bachmann, J.J. Back, A. Badalov, V. Balagura, W.\n Baldini, R.J. Barlow, C. Barschel, S. Barsuk, W. Barter, V. Batozskaya, Th.\n Bauer, A. Bay, J. Beddow, F. Bedeschi, I. Bediaga, S. Belogurov, K. Belous,\n I. Belyaev, E. Ben-Haim, G. Bencivenni, S. Benson, J. Benton, A. Berezhnoy,\n R. Bernet, M.-O. Bettler, M. van Beuzekom, A. Bien, S. Bifani, T. Bird, A.\n Bizzeti, P.M. Bj{\\o}rnstad, T. Blake, F. Blanc, J. Blouw, S. Blusk, V. Bocci,\n A. Bondar, N. Bondar, W. Bonivento, S. Borghi, A. Borgia, M. Borsato, T.J.V.\n Bowcock, E. Bowen, C. Bozzi, T. Brambach, J. van den Brand, J. Bressieux, D.\n Brett, M. Britsch, T. Britton, N.H. Brook, H. Brown, A. Bursche, G. Busetto,\n J. Buytaert, S. Cadeddu, R. Calabrese, O. Callot, M. Calvi, M. Calvo Gomez,\n A. Camboni, P. Campana, D. Campora Perez, F. Caponio, A. Carbone, G. Carboni,\n R. Cardinale, A. Cardini, H. Carranza-Mejia, L. Carson, K. Carvalho Akiba, G.\n Casse, L. Cassina, L. Castillo Garcia, M. Cattaneo, Ch. Cauet, R. Cenci, M.\n Charles, Ph. Charpentier, S.-F. Cheung, N. Chiapolini, M. Chrzaszcz, K. Ciba,\n X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, I.\n Counts, B. Couturier, G.A. Cowan, D.C. Craik, M. Cruz Torres, S. Cunliffe, R.\n Currie, C. D'Ambrosio, J. Dalseno, P. David, P.N.Y. David, A. Davis, I. De\n Bonis, K. De Bruyn, S. De Capua, M. De Cian, J.M. De Miranda, L. De Paula, W.\n De Silva, P. De Simone, D. Decamp, M. Deckenhoff, L. Del Buono, N.\n D\\'el\\'eage, D. Derkach, O. Deschamps, F. Dettori, A. Di Canto, H. Dijkstra,\n S. Donleavy, F. Dordei, M. Dorigo, P. Dorosz, A. Dosil Su\\'arez, D. Dossett,\n A. Dovbnya, F. Dupertuis, P. Durante, R. Dzhelyadin, A. Dziurda, A. Dzyuba,\n S. Easo, U. Egede, V. Egorychev, S. Eidelman, S. Eisenhardt, U. Eitschberger,\n R. Ekelhof, L. Eklund, I. El Rifai, Ch. Elsasser, S. Esen, A. Falabella, C.\n F\\\"arber, C. Farinelli, S. Farry, D. Ferguson, V. Fernandez Albor, F.\n Ferreira Rodrigues, M. Ferro-Luzzi, S. Filippov, M. Fiore, M. Fiorini, C.\n Fitzpatrick, M. Fontana, F. Fontanelli, R. Forty, O. Francisco, M. Frank, C.\n Frei, M. Frosini, J. Fu, E. Furfaro, A. Gallas Torreira, D. Galli, S.\n Gambetta, M. Gandelman, P. Gandini, Y. Gao, J. Garofoli, J. Garra Tico, L.\n Garrido, C. Gaspar, R. Gauld, L. Gavardi, E. Gersabeck, M. Gersabeck, T.\n Gershon, Ph. Ghez, A. Gianelle, S. Giani', V. Gibson, L. Giubega, V.V.\n Gligorov, C. G\\\"obel, D. Golubkov, A. Golutvin, A. Gomes, H. Gordon, M.\n Grabalosa G\\'andara, R. Graciani Diaz, L.A. Granado Cardoso, E. Graug\\'es, G.\n Graziani, A. Grecu, E. Greening, S. Gregson, P. Griffith, L. Grillo, O.\n Gr\\\"unberg, B. Gui, E. Gushchin, Yu. Guz, T. Gys, C. Hadjivasiliou, G.\n Haefeli, C. Haen, T.W. Hafkenscheid, S.C. Haines, S. Hall, B. Hamilton, T.\n Hampson, S. Hansmann-Menzemer, N. Harnew, S.T. Harnew, J. Harrison, T.\n Hartmann, J. He, T. Head, V. Heijne, K. Hennessy, P. Henrard, L. Henry, J.A.\n Hernando Morata, E. van Herwijnen, M. He{\\ss}, A. Hicheur, D. Hill, M.\n Hoballah, C. Hombach, W. Hulsbergen, P. Hunt, N. Hussain, D. Hutchcroft, D.\n Hynds, M. Idzik, P. Ilten, R. Jacobsson, A. Jaeger, E. Jans, P. Jaton, A.\n Jawahery, F. Jing, M. John, D. Johnson, C.R. Jones, C. Joram, B. Jost, N.\n Jurik, M. Kaballo, S. Kandybei, W. Kanso, M. Karacson, T.M. Karbach, M.\n Kelsey, I.R. Kenyon, T. Ketel, B. Khanji, C. Khurewathanakul, S. Klaver, O.\n Kochebina, I. Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A.\n Kozlinskiy, L. Kravchuk, K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F.\n Kruse, M. Kucharczyk, V. Kudryavtsev, K. Kurek, T. Kvaratskheliya, V.N. La\n Thi, D. Lacarrere, G. Lafferty, A. Lai, D. Lambert, R.W. Lambert, E.\n Lanciotti, G. Lanfranchi, C. Langenbruch, B. Langhans, T. Latham, C.\n Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees, R. Lef\\`evre, A. Leflat, J.\n Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B. Leverington, Y. Li, M. Liles,\n R. Lindner, C. Linn, F. Lionetto, B. Liu, G. Liu, S. Lohn, I. Longstaff, J.H.\n Lopes, N. Lopez-March, P. Lowdon, H. Lu, D. Lucchesi, H. Luo, E. Luppi, O.\n Lupton, F. Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S. Malde, G.\n Manca, G. Mancinelli, M. Manzali, J. Maratas, U. Marconi, C. Marin Benito, P.\n Marino, R. M\\\"arki, J. Marks, G. Martellotti, A. Martens, A. Mart\\'in\n S\\'anchez, M. Martinelli, D. Martinez Santos, F. Martinez Vidal, D. Martins\n Tostes, A. Massafferri, R. Matev, Z. Mathe, C. Matteuzzi, A. Mazurov, M.\n McCann, J. McCarthy, A. McNab, R. McNulty, B. McSkelly, B. Meadows, F. Meier,\n M. Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J. Molina Rodriguez, S.\n Monteil, D. Moran, M. Morandin, P. Morawski, A. Mord\\`a, M.J. Morello, R.\n Mountain, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B. Muster, P. Naik,\n T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N. Neri, S. Neubert, N.\n Neufeld, A.D. Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R.\n Niet, N. Nikitin, T. Nikodem, A. Novoselov, A. Oblakowska-Mucha, V.\n Obraztsov, S. Oggero, S. Ogilvy, O. Okhrimenko, R. Oldeman, G. Onderwater, M.\n Orlandea, J.M. Otalora Goicochea, P. Owen, A. Oyanguren, B.K. Pal, A. Palano,\n F. Palombo, M. Palutan, J. Panman, A. Papanestis, M. Pappagallo, L.\n Pappalardo, C. Parkes, C.J. Parkinson, G. Passaleva, G.D. Patel, M. Patel, C.\n Patrignani, C. Pavel-Nicorescu, A. Pazos Alvarez, A. Pearce, A. Pellegrino,\n M. Pepe Altarelli, S. Perazzini, E. Perez Trigo, P. Perret, M. Perrin-Terrin,\n L. Pescatore, E. Pesen, G. Pessina, K. Petridis, A. Petrolini, E. Picatoste\n Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, A. Pistone, S. Playfer, M. Plo\n Casasus, F. Polci, A. Poluektov, E. Polycarpo, A. Popov, D. Popov, B.\n Popovici, C. Potterat, A. Powell, J. Prisciandaro, A. Pritchard, C. Prouve,\n V. Pugatch, A. Puig Navarro, G. Punzi, W. Qian, B. Rachwal, J.H. Rademacker,\n B. Rakotomiaramanana, M. Rama, M.S. Rangel, I. Raniuk, N. Rauschmayr, G.\n Raven, S. Reichert, M.M. Reid, A.C. dos Reis, S. Ricciardi, A. Richards, K.\n Rinnert, V. Rives Molina, D.A. Roa Romero, P. Robbe, D.A. Roberts, A.B.\n Rodrigues, E. Rodrigues, P. Rodriguez Perez, S. Roiser, V. Romanovsky, A.\n Romero Vidal, M. Rotondo, J. Rouvinet, T. Ruf, F. Ruffini, H. Ruiz, P. Ruiz\n Valls, G. Sabatino, J.J. Saborido Silva, N. Sagidova, P. Sail, B. Saitta, V.\n Salustino Guimaraes, B. Sanmartin Sedes, R. Santacesaria, C. Santamarina\n Rios, E. Santovetti, M. Sapunov, A. Sarti, C. Satriano, A. Satta, M. Savrie,\n D. Savrina, M. Schiller, H. Schindler, M. Schlupp, M. Schmelling, B. Schmidt,\n O. Schneider, A. Schopper, M.-H. Schune, R. Schwemmer, B. Sciascia, A.\n Sciubba, M. Seco, A. Semennikov, K. Senderowska, I. Sepp, N. Serra, J.\n Serrano, P. Seyfert, M. Shapkin, I. Shapoval, Y. Shcheglov, T. Shears, L.\n Shekhtman, O. Shevchenko, V. Shevchenko, A. Shires, R. Silva Coutinho, G.\n Simi, M. Sirendi, N. Skidmore, T. Skwarnicki, N.A. Smith, E. Smith, E. Smith,\n J. Smith, M. Smith, H. Snoek, M.D. Sokoloff, F.J.P. Soler, F. Soomro, D.\n Souza, B. Souza De Paula, B. Spaan, A. Sparkes, F. Spinella, P. Spradlin, F.\n Stagni, S. Stahl, O. Steinkamp, S. Stevenson, S. Stoica, S. Stone, B.\n Storaci, S. Stracka, M. Straticiuc, U. Straumann, R. Stroili, V.K. Subbiah,\n L. Sun, W. Sutcliffe, S. Swientek, V. Syropoulos, M. Szczekowski, P.\n Szczypka, D. Szilard, T. Szumlak, S. T'Jampens, M. Teklishyn, G. Tellarini,\n E. Teodorescu, F. Teubert, C. Thomas, E. Thomas, J. van Tilburg, V.\n Tisserand, M. Tobin, S. Tolk, L. Tomassetti, D. Tonelli, S. Topp-Joergensen,\n N. Torr, E. Tournefier, S. Tourneur, M.T. Tran, M. Tresch, A. Tsaregorodtsev,\n P. Tsopelas, N. Tuning, M. Ubeda Garcia, A. Ukleja, A. Ustyuzhanin, U. Uwer,\n V. Vagnoni, G. Valenti, A. Vallier, R. Vazquez Gomez, P. Vazquez Regueiro, C.\n V\\'azquez Sierra, S. Vecchi, J.J. Velthuis, M. Veltri, G. Veneziano, M.\n Vesterinen, B. Viaud, D. Vieira, X. Vilasis-Cardona, A. Vollhardt, D.\n Volyanskyy, D. Voong, A. Vorobyev, V. Vorobyev, C. Vo{\\ss}, H. Voss, J.A. de\n Vries, R. Waldi, C. Wallace, R. Wallace, S. Wandernoth, J. Wang, D.R. Ward,\n N.K. Watson, A.D. Webber, D. Websdale, M. Whitehead, J. Wicht, J.\n Wiechczynski, D. Wiedner, G. Wilkinson, M.P. Williams, M. Williams, F.F.\n Wilson, J. Wimberley, J. Wishahi, W. Wislicki, M. Witek, G. Wormser, S.A.\n Wotton, S. Wright, S. Wu, K. Wyllie, Y. Xie, Z. Xing, Z. Yang, X. Yuan, O.\n Yushchenko, M. Zangoli, M. Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y.\n Zhang, A. Zhelezov, A. Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Giovanni Veneziano", "url": "https://arxiv.org/abs/1402.6852" }
1402.6865
# Applications of Structural Balance in Signed Social Networks Jérôme Kunegis University of Koblenz–Landau, Germany [email protected] ###### Abstract We present measures, models and link prediction algorithms based on the structural balance in signed social networks. Certain social networks contain, in addition to the usual _friend_ links, _enemy_ links. These networks are called signed social networks. A classical and major concept for signed social networks is that of structural balance, i.e., the tendency of triangles to be _balanced_ towards including an even number of negative edges, such as friend- friend-friend and friend-enemy-enemy triangles. In this article, we introduce several new signed network analysis methods that exploit structural balance for measuring partial balance, for finding communities of people based on balance, for drawing signed social networks, and for solving the problem of link prediction. Notably, the introduced methods are based on the signed graph Laplacian and on the concept of signed resistance distances. We evaluate our methods on a collection of four signed social network datasets. ## 1 Introduction Signed social networks are such social networks in which social ties can have two signs: friendship and enmity. Signed social networks have been studied in sociology and anthropology111See for instance Figure 1, and are now found on certain websites such as Slashdot222slashdot.org and Epinions333www.epinions.com. In addition to the usual social network analyses, the signed structure of these networks allows a new range of studies to be performed, related to the behavior of edge sign distributions within the graph. A major observation in this regard is the now classical result of _balance theory_ by [17], stipulating that signed social networks tend to be balanced in the sense that its nodes can be partitioned into two sets, such that nodes within each set are connected only by friendship ties, and nodes from different sets are only connected by enmity ties. This observation is not to be understood in an absolute sense – in a large social network, a single wrongly signed edge would render a network unbalanced. Instead, this is to be understood as a tendency, which can be exploited to enhance the analytical and predictive power of network analysis methods for a wide range of applications. Figure 1: A small example of a signed social network from anthropology: The tribal groups of the Eastern Central Highlands of New Guinea from the study of Read [44]. Individual tribes are the vertices of this network, with friendly relations shown as green edges and antagonistic relations shown as red edges. In this article, we present ways to measure and exploit structural balance of signed social networks for graph drawing, measuring conflict, detecting communities and predicting links. In particular, we introduce methods based on _algebraic graph theory_ , i.e., the representation of graphs by matrices. In ordinary network analysis applications, algebraic graph theory has the advantage that a large range of powerful algebraic methods become available to analyse networks. In the case of signed networks, an additional advantage is that structural balance, which is inherently a multiplicative construct as illustrated by the rule _the enemy of my enemy is my friend_ , maps in a natural way onto the algebraic representation of networks as matrices. As we will see, this makes not only signed network analysis methods seamlessly take into account structural balance theory, it also simplifies calculation with matrices and vectors, as the multiplication rule is build right into the definition of their operations. In the rest of article, the individual methods are not presented in order of possible applications, but in order of complexity, building on each other. The breakdown is as follows: * • Section 2 introduces the concept of a signed social network, gives necessary mathematical definitions and presents a set of four signed social networks that are used throughout the paper. * • Section 3 defines structural balance and introduces a basic but novel measure for quantifying it: the signed clustering coefficient. * • Section 4 reviews the problem of drawing signed graphs, and derives from it the signed Laplacian matrix which arises naturally in that context. * • Section 5 gives a proper mathematical definition of the signed Laplacian matrix, and proves its basic properties. * • Section 6 introduces the notion of _algebraic conflict_ , a second way of quantifying structural balance, based on a spectral analysis of the signed Laplacian matrix. * • Section 7 describes the signed graph clustering problem, and shows how its solution leads to another derivation of the signed Laplacian matrix. * • Section 8 reviews the problem of link prediction in signed networks, and shows how it can be solved by the _signed resistance distance_. Section 9 concludes the article. This article is partially based on material previously published by the author in conference papers [28, 32, 33, 34, 35]. ## 2 Background: Signed Social Networks Negative edges can be found in many types of social networks, to model enmity in addition to friendship, distrust in addition to trust, or positive and negative ratings between users. Early uses of signed social networks can be found in anthropology, where negative edges have been used to denote antagonistic relationships between tribes [16]. In this context, the sociological notion of balance is defined as the absence of negative cycles, i.e., the absence of cycles with an odd number of negative edges [9, 17]. Other cases of signed social networks include student relationships [21] and voting processes [36]. Recent studies [18] describe the social network extracted from Essembly, an ideological discussion site that allows users to mark other users as _friends_ , _allies_ and _nemeses_ , and discuss the semantics of the three relation types. These works model the different types of edges by means of three subgraphs. Other recent work considers the task of discovering communities from social networks with negative edges [51]. In trust networks, nodes represent persons or other entities, and links represent trust relationships. To model distrust, negative edges are then used. Work in that field has mostly focused on defining global trust measures using path lengths or adapting PageRank [15, 23, 25, 41, 48]. In applications where users can rate each other, we can model ratings as _like_ and _dislike_ , giving rise to positive and negative edges, for instance on online dating sites [6]. An example of a small signed social network is given by the tribal groups of the Eastern Central Highlands of New Guinea from the study of Read [44] in Figure 1. This dataset describes the relations between sixteen tribal groups of the Eastern Central Highlands of New Guinea [16]. Relations between tribal groups in the Gahuku–Gama alliance structure can be friendly (_rova_) or antagonistic (_hina_). In addition, four large signed social networks extracted from the Web will be used throughout the article. All datasets are part of the Koblenz Network Collection [29]. The datasets are summarized in Table 1. Table 1: The signed social network datasets used in this article. The first four datasets are large; the last one is small and serves as a running example. Network Type Vertices ($|V|$) Edges ($|E|$) Percent Negative Slashdot Zoo [32] Directed 79,120 515,581 23.9% Epinions [40] Directed 131,828 841,372 14.7% Wikipedia elections [36] Directed 8,297 107,071 21.6% Wikipedia conflicts [5] Undirected 118,100 2,985,790 19.5% Highland tribes [44] Undirected 16 58 50.0% #### Definitions Mathematically, an undirected signed graph can be defined as $G=(V,E,\sigma)$, where $V$ is the vertex set, $E$ is the edge set, and $\sigma:E\rightarrow\\{-1,+1\\}$ is the sign function [53]. The sign function $\sigma$ assigns a positive or negative sign to each edge. The fact that two edges $u$ and $v$ are adjacent will be denoted by $u\sim v$. The degree of a node $u$ is defined as the number of its neighbors, and can be written as $\displaystyle d(u)=\\{v\mid u\sim v\\}.$ A directed signed network will be noted as $G=(V,E,\sigma)$, in which $E$ is the set of directed edges (or _arcs_). #### Algebraic Graph Theory Algebraic graph theory is the branch of graph theory that represents graphs using algebraic structures in order to exploit the powerful methods of algebra in graph theory. The main tool of algebraic graph theory is the representation of graphs as matrices, in particular the adjacency matrix and the Laplacian matrix. In the following, all matrices are real. Given a signed graph $G=(V,E,\sigma)$, its adjacency matrix $\mathbf{A}\in\mathbb{R}^{|V|\times|V|}$ is defined as $\displaystyle\mathbf{A}_{uv}$ $\displaystyle=$ $\displaystyle\left\\{\begin{array}[]{ll}\sigma(\\{u,v\\})&\mathrm{when}\\{u,v\\}\in E\\\ 0&\mathrm{when}\\{u,v\\}\notin E\end{array}\right.$ The adjacency matrix is square and symmetric. The diagonal degree matrix $\mathbf{D}$ of a signed graph is defined using $\mathbf{D}_{uu}=d(u)$. Note that the degrees, and thus the matrix $\mathbf{D}$, is independent of the sign function $\sigma$. The assumption of structural balance lends itself to using algebraic methods based on the adjacency matrix of a signed network. To see why this is true, consider that the square $\mathbf{A}^{2}$ contains at its entry $(u,v)$ a sum of paths of length two between $u$ and $v$ weighted positively or negatively depending on whether a third positive edge between $u$ and $v$ would lead to a balanced or unbalanced triangle. Finally, the Laplacian matrix of any graph is defined as $\mathbf{L}=\mathbf{D}-\mathbf{A}$. It is this matrix $\mathbf{L}$ that will play a central role for graph drawing, graph clustering and link prediction. ## 3 Measuring Structural Balance: The Signed Clustering Coefficient In a signed social network, the relationship between two connected nodes can be positive or negative. When looking at groups of three persons, four combinations of positive and negative edges are possible (up to permutations), some being more likely than others. An observation made in actual social groups is that triangles of positive and negative edges tend to be balanced. For instance, a triangle of three positive edges is balanced, as is a triangle of one positive and two negative edges. On the other hand, a triangle of two positive and one negative edge is not balanced. The case of three negative edges can be considered balanced, when considering the three persons as three different groups, or unbalanced, when allowing only two groups. This characterization of balance can be generalized to the complete signed network, resulting in the following definition: ###### Definition 1 (Harary, 1953). A connected signed graph is balanced when its vertices can be partitioned into two groups such that all positive edges connect vertices within the same group, and all negative edges connect vertices of the two different groups. Figure 3 shows a balanced graph partitioned into two vertex sets. The concept of structural balance can also be illustrated with the phrase _the enemy of my enemy is my friend_ and its permutations. Equivalently, unbalanced graphs can be defined as those graphs containing a cycle with an odd number of negative edges, as shown in Figure 3. To prove that the balanced graphs are exactly those that do not contain cycles with an odd number of edges, consider that any cycle in a balanced graph has to cross sides an even number of times. On the other hand, any balanced graph can be partitioned into two vertex sets by depth-first traversal while assigning each vertex to a partition such that the balance property is fulfilled. Any inconsistency that arises during such a labeling leads to a cycle with an odd number of negative edges. Figure 2: The nodes of a graph without negative cycles can be partitioned into two sets such that all edges inside of each group are positive and all edges between the two groups are negative. We call such a graph balanced. Figure 3: An unbalanced graph contains at least one cycle with an odd number of negative edges. Such a graph cannot be partitioned into two sets with all negative edges across the sets and positive edges within the sets. In large signed social networks such as those given in Table 1, it cannot be expected that the full network is balanced, since already a single unbalanced triangle makes the full network unbalanced. Instead, we need a measure of balance that characterizes to what extent a signed network is balanced. To that end, we extend a well-establish measure in network analysis, the clustering coefficient, to signed networks, giving the signed clustering coefficient. We also introduce the relative signed clustering coefficient and give the values observed in our example datasets. The clustering coefficient is a characteristic number of a graph taking values between zero and one, denoting the tendency of the graph nodes to form small clusters. The clustering coefficient was introduced in [49] and an extension for positively weighted edges proposed in [22]. The signed clustering coefficient we define denotes the tendency of small clusters to be _balanced_ , and takes on values between $-1$ and $+1$. The relative signed clustering coefficient will be defined as the quotient between the two. | | ---|---|--- $\textstyle{{\bullet}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{c}$$\scriptstyle{a}$$\textstyle{{\bullet}}$$\textstyle{{\bullet}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{c}$$\scriptstyle{a}$$\textstyle{{\bullet}}$$\textstyle{{a)}}$$\textstyle{{b)}}$$\textstyle{{\bullet}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{b}$$\textstyle{{\bullet}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{b}$ | | ---|---|--- $\textstyle{{\bullet}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{c=ab}$$\scriptstyle{a}$$\textstyle{{\bullet}}$$\textstyle{{\bullet}\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{c=ab}$$\scriptstyle{a}$$\textstyle{{\bullet}}$$\textstyle{{c)}}$$\textstyle{{d)}}$$\textstyle{{\bullet}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{b}$$\textstyle{{\bullet}\ignorespaces\ignorespaces\ignorespaces\ignorespaces}$$\scriptstyle{b}$ Figure 4: The four kinds of clustering coefficients. a) Regular clustering coefficient. b) Directed clustering coefficient. c) Signed clustering coefficient. d) Signed directed clustering coefficient. Edge $c$ is counted when edges $a$ and $b$ are present, and for the signed variants, weighted by $\mathrm{sgn}(abc)$. The clustering coefficient is defined as the proportion of all incident edge pairs that are completed by a third edge to form a triangle. Figure 4 gives an illustration. Given an undirected, unsigned graph $G=(V,E)$ its clustering coefficient is given by $\displaystyle c(G)$ $\displaystyle=$ $\displaystyle\frac{\\{(u,v,w)\in V^{3}\mid u\sim v\sim w\sim u\\}}{\\{(u,v,w)\in V^{3}\mid u\sim v\sim w\\}}$ (2) To extend the clustering coefficient to negative edges, we assume structural balance for two incident signed edges. As shown in Figure 4, an edge with sign $c$ completing two incident edges with signs $a$ and $b$ to form a triangle must fulfill the equation $c=ab$. $\displaystyle c_{\mathrm{s}}(G)$ $\displaystyle=$ $\displaystyle\frac{\sum_{u\sim v\sim w\sim u}\sigma(\\{u,v\\})\sigma(\\{v,w\\})\sigma(\\{w,u\\})}{\\{u,v,w\in V\mid u\sim v\sim w\\}}$ (3) Therefore, the signed clustering coefficient denotes to what extent the graph exhibits a balanced structure. In actual signed social networks, we expect it to be positive. Additionally, we define the relative signed clustering coefficient as the quotient of the signed and unsigned clustering coefficients. $\displaystyle S(G)=\frac{c_{s}(G)}{c(G)}=\frac{\sum_{u\sim v\sim w\sim u}\sigma(\\{u,v\\})\sigma(\\{v,w\\})\sigma(\\{w,u\\})}{\\{u,v,w\in V\mid u\sim v\sim w\sim u\\}}$ (4) The relative signed clustering coefficient takes on values between $-1$ and $+1$. It is $+1$ when all triangles are balanced. In networks with negative relative signed clustering coefficients, structural balance does not hold. In fact, the relative signed clustering coefficient is closely related to the number of balanced and unbalanced triangles in a network. If $\Delta^{+}(G)$ is the number of balanced triangles and $\Delta^{-}(G)$ is the number of unbalanced triangles in a signed network $G$, then $\displaystyle S(G)$ $\displaystyle=$ $\displaystyle\frac{\Delta^{+}(G)-\Delta^{-}(G)}{\Delta^{+}(G)+\Delta^{-}(G)}.$ The directed signed clustering coefficient and directed relative signed clustering coefficient can be defined analogously using Expressions (3) and (4). The signed clustering coefficient and relative signed clustering coefficient are zero in random networks, when the sign of edges is distributed equally. The signed clustering coefficients are by definition smaller than their unsigned counterparts. Table 2: The values for all variants of the clustering coefficient for the example datasets. The directed variants are not computed for the two undirected datasets. Network | Undirected | Directed ---|---|--- | $c(G)$ | $c_{\mathrm{s}}(G)$ | $S(G)$ | $c(G)$ | $c_{\mathrm{s}}(G)$ | $S(G)$ Slashdot Zoo | 0.0318 | 0.00607 | 19.1% | 0.0559 | 0.00918 | 16.4% Epinions | 0.1107 | 0.01488 | 13.4% | 0.1154 | 0.01638 | 14.2% Wikipedia elections | 0.1391 | 0.01489 | 10.9% | 0.1654 | 0.02427 | 14.7% Wikipedia conflicts | 0.0580 | 0.03342 | 57.6% | – | – | – Highland tribes | 0.5271 | 0.30289 | 57.5% | – | – | – Table 2 gives all four variants of the clustering coefficient measured in the example datasets, along with the relative signed clustering coefficients. The high values for the relative clustering coefficients show that our multiplication rule is valid in the examined datasets, and justifies the structural balance approach. ## 4 Visualizing Structural Balance: Signed Graph Drawing To motivate the use of algebraic graph theory based on structural balance, we consider the problem of drawing signed graphs and show how it naturally leads to our definition of the Laplacian matrix for signed graphs. We begin by showing how the signed Laplacian matrix arises naturally in the task of drawing graphs with negative edges when one tries to place each node near to its positive neighbors and opposite to its negative neighbors, extending a standard method of graph drawing in the presence of only positive edges. The Laplacian matrix turns up in graph drawing when we try to find an embedding of a graph into a plane in a way that adjacent nodes are drawn near to each other [1]. In the literature, signed graphs have been drawn using eigenvectors of the signed adjacency matrix [4]. Instead, our approach consists of using the Laplacian to draw signed graphs, in analogy with the unsigned case. To do this, we will stipulate that negative edges should be drawn as far from each other as possible. ### 4.1 Unsigned Graphs We now describe the general method for generating an embedding of the nodes of an unsigned graph into the plane using the Laplacian matrix. Let $G=(V,E)$ be a connected unsigned graph with adjacency matrix $\mathbf{A}$. We want to find a two-dimensional drawing of $G$ in which each vertex is drawn near to its neighbors. This requirement gives rise to the following vertex equation, which states that every vertex is placed at the mean of its neighbors’ coordinates, weighted by the sign of the connecting edges. Let $\mathbf{X}\in\mathbb{R}^{n\times 2}$ be a matrix whose columns are the coordinates of all nodes in the drawing, then we have for each node $u$: $\displaystyle\mathbf{X}_{u\bullet}=\left(\sum_{u\sim v}\mathbf{A}_{uv}\right)^{-1}\sum_{u\sim v}\mathbf{A}_{uv}\mathbf{X}_{v\bullet}$ (5) Rearranging and aggregating the equation for all $u$ we arrive at $\displaystyle\mathbf{D}\mathbf{X}=\mathbf{A}\mathbf{X}$ (6) or $\displaystyle\mathbf{L}\mathbf{X}$ $\displaystyle=$ $\displaystyle\mathbf{0}.$ In other words, the columns of $\mathbf{X}$ should belong to the null space of $\mathbf{L}$, which leads to the degenerate solution of $\mathbf{X}_{u\bullet}=\mathbf{1}$ for all $u$, i.e., each $\mathbf{X}_{u\bullet}$ having all components equal, as the all-ones vector $\mathbf{1}$ is an eigenvector of $\mathbf{L}$ with eigenvalue zero. To exclude that solution, we require that the columns $\mathbf{X}$ be orthogonal to $\mathbf{1}$. Additionally, to avoid the degenerate solution $\mathbf{X}_{u\bullet}=\mathbf{X}_{v\bullet}$ for $u\neq v$, we require that all columns of $\mathbf{X}$ be orthogonal. This leads to $\mathbf{X}_{u\bullet}$ being the eigenvectors associated with the two smallest eigenvalues of $\mathbf{L}$ different from zero. This solution results in a well-known satisfactory embedding of unsigned graphs. Such an embedding is related to the resistance distance (or commute-time distance) between nodes of the graph [1]. Note that Equation (6) can also be transformed to $\mathbf{X}=\mathbf{D}^{-1}\mathbf{A}\mathbf{X}$, leading to the eigenvectors of the asymmetric matrix $\mathbf{D}^{-1}\mathbf{A}$. This alternative derivation is not investigated here. ### 4.2 Signed Graphs We now extend the graph drawing method described in the previous section to graphs with positive and negative edges. To adapt Expression (5) to negative edges, we interpret a negative edge as an indication that two vertices should be placed on opposite sides of the drawing. Therefore, we take the opposite coordinates $-\mathbf{X}_{v\bullet}$ of vertices $v$ adjacent to $u$ through a negative edge, and then compute the mean, as pictured in Figure 5. We may call this construction _antipodal proximity_. (a) Unsigned graph (b) Signed graph Figure 5: Drawing the vertex $u$ at the mean coordinates of its neighbors $v_{1},v_{2},v_{3}$ by proximity and antipodal proximity. (a) In unsigned graphs, a vertex $u$ is placed at the mean of its neighbors $v_{1},v_{2},v_{3}$. (b) In signed graphs, a vertex $u$ is placed at the mean of its positive neighbors $v_{1},v_{2}$ and antipodal points $-v_{3}$ of its negative neighbors. This leads to the vertex equation $\displaystyle\mathbf{X}_{u\bullet}$ $\displaystyle=\left(\sum_{\\{u,v\\}\in E}|\mathbf{A}_{ij}|\right)^{-1}\sum_{\\{u,v\\}\in E}\mathbf{A}_{uv}\mathbf{X}_{v\bullet}$ (7) resulting in a signed Laplacian matrix $\mathbf{L}=\mathbf{D}-\mathbf{A}$ in which indeed the definition of the degree matrix $\mathbf{D}_{uu}=\sum_{v}|\mathbf{A}_{uv}|$ leads to the same equation $\mathbf{L}\mathbf{X}=\mathbf{0}$ as in the unsigned case. As we will see in the next section, $\mathbf{L}$ is always positive- semidefinite, and is positive-definite for graphs that are unbalanced, i.e., graphs that contain cycles with an odd number of negative edges. To obtain a graph drawing from $\mathbf{L}$, we can thus distinguish three cases, assuming that $G$ is connected: * • If all edges are positive, then $\mathbf{L}$ has one eigenvalue zero, and the eigenvectors of the two smallest nonzero eigenvalues can be used for graph drawing. * • If the graph is unbalanced, $\mathbf{L}$ is positive-definite and we can use the eigenvectors of the two smallest eigenvalues as coordinates. * • If the graph is balanced, its spectrum is equivalent to that of the corresponding unsigned Laplacian matrix, up to signs of the eigenvector components. Using the eigenvectors of the two smallest eigenvalues (including zero), we arrive at a graph drawing with all points being placed on two parallel lines, reflecting the perfect 2-clustering present in the graph. ### 4.3 Synthetic Examples Figure 6 shows four small synthetic signed graphs drawn using the eigenvectors of three characteristic graph matrices. For each synthetic signed graph, let $\mathbf{A}$ be its adjacency matrix, $\mathbf{L}$ its Laplacian matrix, and $\mathbf{\bar{L}}$ the Laplacian matrix of the corresponding unsigned graph $\bar{G}=|G|$, i.e., the same graph as $G$, only that all edges are positive. For $\mathbf{A}$, we use the eigenvectors corresponding to the two largest absolute eigenvalues. For $\mathbf{L}$ and $\mathbf{\bar{L}}$, we use the eigenvectors of the two smallest nonzero eigenvalues. The small synthetic examples are chosen to display the basic spectral properties of these three matrices. All graphs contain cycles with an odd number of negative edges. Column (a) shows all graphs drawn using the eigenvectors of the two largest eigenvalues of the adjacency matrix $\mathbf{A}$. Column (b) shows the unsigned Laplacian embedding of the graphs by setting all edge weights to $+1$. Column (c) shows the signed Laplacian embedding. The embedding given by the eigenvectors of $\mathbf{A}$ is clearly not satisfactory for graph drawing. As expected, the graphs drawn using the ordinary Laplacian matrix place nodes connected by a negative edge near to each other. The signed Laplacian matrix produces a graph embedding where negative links span large distances across the drawing, as required. (1) | | | ---|---|---|--- (2) | | | (3) | | | (4) | | | | (a) $\mathbf{A}$ | (b) $\mathbf{\bar{L}}$ | (c) $\mathbf{L}$ Figure 6: Four small synthetic signed graphs [(1)–(4)] drawn using the eigenvectors of three graph matrices. (a) the adjacency matrix $\mathbf{A}$, (b) the Laplacian $\mathbf{\bar{L}}$ of the underlying unsigned graph $\bar{G}$, (c) the Laplacian $\mathbf{L}$. All graphs shown contain negative cycles, and their signed Laplacian matrices are positive-definite. Positive edges are shown as solid green lines and negative edges as red dashed lines. #### Drawing a Balanced Graph We assume, in the derivation above, that the eigenvectors corresponding to the two smallest eigenvalues of the Laplacian $\mathbf{L}$ should be used for graph drawing. This is true in that it gives the best possible drawing according to the proximity and distance criteria of positive and negative edges. If however the graph is balanced, then, as we will see, the smallest eigenvalue of $\mathbf{L}$ is zero. Unlike the case in unsigned graphs however, the corresponding eigenvector is not constant but contains values $\\{\pm 1\\}$ describing the split into two partitions. If we use that eigenvector to draw the graph, the resulting drawing will place all vertices on two lines. Such an embedding may be satisfactory in cases where the perfect balance of the graph is to be visualized. If however positive edges among each partition’s vertices are also to be visible, the eigenvector corresponding to the third smallest eigenvalue can be added with a small weight to the first eigenvector, resulting in a two-dimensional representation of a 3-dimensional embedding. The resulting three methods are illustrated in Figure 7. (a) $(\lambda_{1},\lambda_{2})$ (b) $(\lambda_{2},\lambda_{3})$ (c) $(\lambda_{1}+0.3\lambda_{3},\lambda_{2})$ Figure 7: Three methods for drawing a balanced signed graph, using a small artificial example network. (a) Using the eigenvector corresponding to the smallest eigenvalue $\lambda_{1}=0$, intra-cluster structure is lost. (b) Ignoring the first eigenvalue misses important information about the clustering. (c) Using a linear combination of both methods gives a good compromise. In practice, large graphs are almost always unbalanced as shown in Figure 9 and Table 3, and the two smallest eigenvalues give a satisfactory embedding. Figure 8 shows large signed networks drawn using the two eigenvectors of the smallest eigenvalues of the Laplacian matrix $\mathbf{L}$ for three signed networks. (a) Slashdot Zoo (b) Epinions (c) Wikipedia elections (d) Wikipedia conflicts (e) Highland tribes Figure 8: Signed spectral embedding of networks. For each network, every node is represented as a point whose coordinates are the corresponding values in the eigenvectors of the signed Laplacian $\mathbf{L}$ corresponding to the two smallest eigenvalues. For the Highland tribes network, positive edges are shown in green and negative edges in red. The edges in the other networks are not shown. ## 5 Capturing Structural Balance: The Signed Laplacian The spectrum Laplacian matrix $\mathbf{L}=\mathbf{D}-\mathbf{A}$ of signed networks is studied in [19], where it is established that the signed Laplacian is positive-definite when each connected component of a graph contains a cycle with an odd number of negative edges. Other basic properties of the Laplacian matrix for signed graphs are given in [20]. For an unsigned graph, the Laplacian $\mathbf{L}$ is positive-semidefinite, i.e., it has only nonnegative eigenvalues. In this section, we prove that the Laplacian matrix $\mathbf{L}$ of a signed graph is positive-semidefinite too, characterize the graphs for which it is positive-definite, and give the relationship between the eigenvalue decomposition of the signed Laplacian matrix and the eigenvalue decomposition of the corresponding unsigned Laplacian matrix. Our characterization of the smallest eigenvalue of $\mathbf{L}$ in terms of graph balance is based on [19]. ### 5.1 Positive-semidefiniteness of the Laplacian A Hermitian matrix is positive-semidefinite when all its eigenvalues are nonnegative, and positive-definite when all its eigenvalues are positive. The Laplacian matrix of an unsigned graph is symmetric and thus Hermitian. Its smallest eigenvalue is zero, and thus the Laplacian of an unsigned graph is always positive-semidefinite but never positive-definite. In the following, we prove that that Laplacian of a signed graph is always positive-semidefinite, and positive-definite when the graph is unbalanced. ###### Theorem 1. The Laplacian matrix $\mathbf{L}$ of a signed graph $G=(V,E,\sigma)$ is positive-semidefinite. ###### Proof. We write the Laplacian matrix as a sum over the edges of $G$: $\displaystyle\mathbf{L}=\sum_{\\{u,v\\}\in E}\mathbf{L}^{\\{u,v\\}}$ where $\mathbf{L}^{\\{u,v\\}}\in\mathbb{R}^{|V|\times|V|}$ contains the four following nonzero entries: $\displaystyle\mathbf{L}^{\\{u,v\\}}_{uu}=\mathbf{L}^{\\{u,v\\}}_{vv}$ $\displaystyle=$ $\displaystyle 1$ (8) $\displaystyle\mathbf{L}^{\\{u,v\\}}_{uv}=\mathbf{L}^{\\{u,v\\}}_{vu}$ $\displaystyle=$ $\displaystyle-\sigma(\\{u,v\\})$ Let $\mathbf{x}\in\mathbb{R}^{|V|}$ be a vertex-vector. By considering the bilinear form $\mathbf{x}^{\mathrm{T}}\mathbf{L}^{\\{u,v\\}}\mathbf{x}$, we see that $\mathbf{L}^{\\{u,v\\}}$ is positive-semidefinite: $\displaystyle\mathbf{x}^{\mathrm{T}}\mathbf{L}^{\\{u,v\\}}\mathbf{x}$ $\displaystyle=$ $\displaystyle\mathbf{x}_{u}^{2}+\mathbf{x}_{v}^{2}-2\sigma(\\{u,v\\})\mathbf{x}_{u}\mathbf{x}_{v}$ $\displaystyle=$ $\displaystyle(\mathbf{x}_{u}-\sigma(\\{u,v\\})\mathbf{x}_{v})^{2}$ $\displaystyle\geq$ $\displaystyle 0$ We now consider the bilinear form $\mathbf{x}^{\mathrm{T}}\mathbf{L}\mathbf{x}$: $\displaystyle\mathbf{x}^{\mathrm{T}}\mathbf{L}\mathbf{x}=\sum_{\\{u,v\\}\in E}\mathbf{x}^{\mathrm{T}}\mathbf{L}^{\\{u,v\\}}\mathbf{x}\geq 0$ It follows that $\mathbf{L}$ is positive-semidefinite. ∎ Another way to prove that $\mathbf{L}$ is positive-semidefinite consists of expressing it using the incidence matrix of $G$. Assume that for each edge $\\{u,v\\}$ an arbitrary orientation is chosen. Then we define the incidence matrix $\mathbf{H}\in\mathbb{R}^{|V|\times|E|}$ of $G$ as $\displaystyle\mathbf{H}_{u\\{u,v\\}}$ $\displaystyle=$ $\displaystyle 1$ $\displaystyle\mathbf{H}_{v\\{u,v\\}}$ $\displaystyle=$ $\displaystyle-\sigma(\\{u,v\\}).$ Here, the letter $\mathbf{H}$ is the uppercase greek letter Eta, as used for instance in [14]. We now consider the product $\mathbf{H}\mathbf{H}^{\mathrm{T}}\in\mathbb{R}^{|V|\times|V|}$: $\displaystyle(\mathbf{H}\mathbf{H}^{\mathrm{T}})_{uu}$ $\displaystyle=$ $\displaystyle d(u)$ $\displaystyle(\mathbf{H}\mathbf{H}^{\mathrm{T}})_{uv}$ $\displaystyle=$ $\displaystyle-\sigma(\\{u,v\\})$ for diagonal and off-diagonal entries, respectively. Therefore $\mathbf{H}\mathbf{H}^{\mathrm{T}}=\mathbf{L}$, and it follows that $\mathbf{L}$ is positive-semidefinite. This result is independent of the orientation chosen for $\mathbf{H}$. ### 5.2 Positive-definiteness of $\mathbf{L}$ We now show that, unlike the ordinary Laplacian matrix, the signed Laplacian matrix is strictly positive-definite for some graphs, including most real- world networks. The theorem presented here can be found in [20], and also follows directly from an earlier result in [52]. As with the ordinary Laplacian matrix, the spectrum of the signed Laplacian matrix of a disconnected graph is the union of the spectra of its connected components. This can be seen by noting that the Laplacian matrix of an unconnected graph has block-diagonal form, with each diagonal entry being the Laplacian matrix of a single component. Therefore, we will restrict the exposition to connected graphs. Using Definition 1 of structural balance, we can characterize the graphs for which the signed Laplacian matrix is positive-definite. ###### Theorem 2. The signed Laplacian matrix of an unbalanced graph is positive-definite. ###### Proof. We show that if the bilinear form $\mathbf{x}^{\mathrm{T}}\mathbf{L}\mathbf{x}$ is zero for some vector $\mathbf{x}\neq\mathbf{0}$, then a bipartition of the vertices as described above exists. Let $\mathbf{x}^{\mathrm{T}}\mathbf{L}\mathbf{x}=0$. We have seen that for every $\mathbf{L}^{\\{u,v\\}}$ as defined in Equation (8) and any $\mathbf{x}$, $\mathbf{x}^{\mathrm{T}}\mathbf{L}^{\\{u,v\\}}\mathbf{x}\geq 0$. Therefore, we have for every edge $\\{u,v\\}$: $\displaystyle\mathbf{x}^{\mathrm{T}}\mathbf{L}^{\\{u,v\\}}\mathbf{x}$ $\displaystyle=$ $\displaystyle 0$ $\displaystyle\Leftrightarrow(\mathbf{x}_{u}-\sigma(\\{u,v\\})\mathbf{x}_{v})^{2}$ $\displaystyle=$ $\displaystyle 0$ $\displaystyle\Leftrightarrow\mathbf{x}_{u}$ $\displaystyle=$ $\displaystyle\sigma(\\{u,v\\})\mathbf{x}_{v}$ In other words, two components of $\mathbf{x}$ are equal if the corresponding vertices are connected by a positive edge, and opposite to each other if the corresponding vertices are connected by a negative edge. Because the graph is connected, it follows that all $|\mathbf{x}_{u}|$ must be equal. We can exclude the solution $\mathbf{x}_{u}=0$ for all $u$ because $\mathbf{x}$ is not the zero vector. Without loss of generality, we assume that $|\mathbf{x}_{u}|=1$ for all $u$. Therefore, $\mathbf{x}$ gives a bipartition into vertices with $\mathbf{x}_{u}=+1$ and vertices with $\mathbf{x}_{u}=-1$, with the property that two vertices with the same value of $\mathbf{x}_{u}$ are in the same partition and two vertices with opposite sign of $\mathbf{x}_{u}$ are in different partitions, and therefore $G$ is balanced. Equivalently, the signed Laplacian matrix $\mathbf{L}$ of a connected unbalanced signed graph is positive-definite. ∎ ### 5.3 Balanced Graphs We now show how the spectrum and eigenvectors of the signed Laplacian of a balanced graph arise from the spectrum and the eigenvalues of the corresponding unsigned graph by multiplication of eigenvector components with $\pm 1$. Let $G=(V,E,\sigma)$ be a balanced signed graph and $\bar{G}=(V,E)$ the corresponding unsigned graph. Since $G$ is balanced, there is a vector $\mathbf{x}\in\\{-1,+1\\}^{|V|}$ such that the sign of each edge $\\{u,v\\}$ is $\sigma(\\{u,v\\})=\mathbf{x}_{u}\mathbf{x}_{v}$. ###### Theorem 3. If $\mathbf{L}$ is the signed Laplacian matrix of the balanced graph $G$ with bipartition $\mathbf{x}$ and eigenvalue decomposition $\mathbf{L}=\mathbf{U}\Lambda\mathbf{U}^{\mathrm{T}}$, then the eigenvalue decomposition of the Laplacian matrix $\mathbf{\bar{L}}$ of $\bar{G}$ of the corresponding unsigned graph $\bar{G}$ of $G$ is given by $\mathbf{\bar{L}}=\mathbf{\bar{U}}\Lambda\mathbf{\bar{U}}^{\mathrm{T}}$ where $\displaystyle\mathbf{\bar{U}}_{uk}$ $\displaystyle=$ $\displaystyle\mathbf{x}_{u}\mathbf{U}_{uk}.$ ###### Proof. To see that $\mathbf{\bar{L}}=\mathbf{\bar{U}}\Lambda\mathbf{\bar{U}}^{\mathrm{T}}$, note that for diagonal elements, we have $\mathbf{\bar{U}}_{u\bullet}^{\phantom{\mathrm{I}}}\Lambda\mathbf{\bar{U}}_{u\bullet}^{\mathrm{T}}=\mathbf{x}_{u}^{2}\mathbf{U}_{u\bullet}^{\phantom{\mathrm{I}}}\Lambda\mathbf{U}_{u\bullet}^{\mathrm{T}}=\mathbf{U}_{u\bullet}^{\phantom{\mathrm{I}}}\Lambda\mathbf{U}_{u\bullet}^{\mathrm{T}}=\mathbf{L}_{uu}=\mathbf{\bar{L}}_{uu}$. For off-diagonal elements, we have $\mathbf{\bar{U}}_{u\bullet}^{\phantom{\mathrm{I}}}\Lambda\mathbf{\bar{U}}_{v\bullet}^{\mathrm{T}}=\mathbf{x}_{u}\mathbf{x}_{v}\mathbf{U}_{u\bullet}^{\phantom{\mathrm{I}}}\Lambda\mathbf{U}_{v\bullet}^{\mathrm{T}}=\sigma(\\{u,v\\})\mathbf{L}_{uv}=-\sigma(\\{u,v\\})\sigma(\\{u,v\\})=-1=\mathbf{\bar{L}}_{uv}$. We now show that $\mathbf{\bar{U}}\Lambda\mathbf{\bar{U}}^{\mathrm{T}}$ is an eigenvalue decomposition of $\mathbf{\bar{L}}$ by showing that $\mathbf{\bar{U}}$ is orthogonal. To see that the columns of $\mathbf{\bar{U}}$ are indeed orthogonal, note that for any two column indexes $k\neq l$, we have $\mathbf{\bar{U}}_{\bullet k}^{\mathrm{T}}\mathbf{\bar{U}}_{\bullet l}^{\phantom{\mathrm{I}}}=\sum_{u\in V}\mathbf{\bar{U}}_{uk}\mathbf{\bar{U}}_{ul}=\sum_{u\in V}\mathbf{x}_{u}^{2}\mathbf{U}_{uk}\mathbf{U}_{ul}=\mathbf{U}_{\bullet k}^{\mathrm{T}}\mathbf{U}_{\bullet l}^{\phantom{\mathrm{I}}}=0$ because $\mathbf{U}$ is orthogonal. Changing signs in $\mathbf{U}$ does not change the norm of each column vector, and thus $\mathbf{\bar{L}}=\mathbf{\bar{U}}\Lambda\mathbf{\bar{U}}^{\mathrm{T}}$ is the eigenvalue decomposition of $\mathbf{\bar{L}}$. ∎ As shown in Section 5.2, the Laplacian matrix of an unbalanced graph is positive-definite and therefore its spectrum is different from that of the corresponding unsigned graph. Aggregating Theorems 2 and 3, we arrive at the main result of this section. ###### Theorem 4. The Laplacian matrix of a connected signed graph is positive-definite if and only if the graph is unbalanced. ###### Proof. From Theorem 2 we know that every unbalanced connected graph has a positive- definite Laplacian matrix. Theorem 3 implies that every balanced graph has the same Laplacian spectrum as its corresponding unsigned graph. Since the unsigned Laplacian is always singular, the signed Laplacian of a balanced graph is also singular. Together, these imply that the Laplacian matrix of a connected signed graph is positive-definite if and only if the graph is unbalanced. ∎ For a general signed graph that need not be connected, we can therefore make the following statement: The multiplicity of the eigenvalue zero equals the number of balanced connected components in $G$ [14]. (a) Slashdot Zoo (b) Epinions (c) Wikipedia elections (d) Wikipedia conflicts Figure 9: The Laplacian spectra of three signed networks. These plots show the eigenvalues $\lambda_{1}\leq\lambda_{2}\leq\cdots$ of the Laplacian matrix $\mathbf{L}$. The spectra of several large unipartite signed networks are plotted in Figure 9. We can observe that in all cases, the smallest eigenvalue is larger than zero, implying, as expected, that these graphs are unbalanced. ## 6 Measuring Structural Balance 2: Algebraic Conflict The smallest eigenvalue of the Laplacian $\mathbf{L}$ of a signed graph is zero when the graph is balanced, and larger otherwise. We derive from this that the smallest Laplacian eigenvalue characterizes the amount of conflict present in the graph. We will call this number the _algebraic conflict_ of the graph and denote it $\xi$. Let $G=(V,E,\sigma)$ be a connected signed graph with adjacency matrix $\mathbf{A}$, degree matrix $\mathbf{D}$ and Laplacian $\mathbf{L}=\mathbf{D}-\mathbf{A}$. Let $\lambda_{1}\leq\lambda_{2}\leq\cdots\leq\lambda_{|V|}$ be the eigenvalues of $\mathbf{L}$. Because $\mathbf{L}$ is positive-semidefinite (Theorem 1), we have $\lambda_{1}\geq 0$. According to Theorem 2, $\lambda_{1}$ is zero exactly when $G$ is balanced. Therefore, the value $\lambda_{1}$ can be used as an invariant of signed graphs that characterizes the conflict due to unbalanced cycles, i.e., cycles with an odd number of negative edges. We will call $\xi=\lambda_{1}$ the _algebraic conflict_ of the network. The number $\xi$ is discussed in [19] and [35], without being given a specific name. The algebraic conflict $\xi$ for our signed network datasets is compared in Table 3. All these large networks are unbalanced, and we can for instance observe that the social networks of the Slashdot Zoo and Epinions are more balanced than the election network of Wikipedia. Table 3: The algebraic conflict $\xi$ for several signed unipartite networks. Smaller values indicate a more balanced network; larger values indicate more conflict. Network | $\xi$ ---|--- Slashdot Zoo | 0.008077 Epinions | 0.002657 Wikipedia elections | 0.005437 Wikipedia conflicts | 0.0001050 Highland tribes | 0.7775 Figure 10 plots the algebraic conflict of the signed networks against the relative signed clustering coefficient The number of signed datasets is small, and thus we cannot make out a correlation between the two measures, although the data is consistent with a negative between the two measures, as expected. Figure 10: Scatter plot of the two measures of balance and conflict for the four signed social networks: The relative signed clustering coefficient $S$ and the algebraic conflict $\xi$. (SZ: Slashdot Zoo, EP: Epinions, EL: Wikipedia elections, CO: Wikipedia conflict) #### Monotonicity From the definition of the algebraic conflict $\xi$, we can derive a simple theorem stating that adding an edge of any weight to a signed graph can only increase the algebraic conflict, not decrease it. ###### Theorem 5. Let $G=(V,E,\sigma)$ be a signed graph and $u,v\in V$ two vertices such that $\\{u,v\\}\notin E$, and $\xi$ the algebraic of $G$. Furthermore, let $G^{\prime}=(V,E\cup\\{u,v\\},\sigma^{\prime})$ with $\sigma^{\prime}(e)=\sigma(e)$ when $e\in E$ and $\sigma(\\{u,v\\})=\sigma$ otherwise be the graph $G$ to which an edge with sign $\sigma$ has been added. Then, let $\xi^{\prime}$ be the algebraic conflict of $G^{\prime}$. Then, $\xi\leq\xi^{\prime}$. ###### Proof. We make use of a theorem stated for instance in [50, p. 97]. This theorem states that when adding a positive-semidefinite matrix $\mathbf{E}$ of rank one to a given symmetric matrix $\mathbf{X}$ with eigenvalues $\lambda_{1}\leq\lambda_{2}\leq\cdots\leq\lambda_{n}$, the new matrix $\mathbf{X}^{\prime}=\mathbf{X}+\mathbf{E}$ has eigenvalues $\lambda^{\prime}_{1}\leq\lambda^{\prime}_{2}\leq\cdots\leq\lambda^{\prime}_{n}$ which interlace the eigenvalues of $\mathbf{X}$: $\displaystyle\lambda_{1}^{\phantom{{}^{\prime}}}\leq\lambda^{\prime}_{1}\leq\lambda_{2}^{\phantom{{}^{\prime}}}\leq\lambda^{\prime}_{2}\leq\cdots\leq\lambda_{n}^{\phantom{{}^{\prime}}}\leq\lambda^{\prime}_{n}$ The Laplacian $\mathbf{L}^{\prime}$ of $G^{\prime}$ can be written as $\mathbf{L}^{\prime}=\mathbf{L}+\mathbf{E}$, where $\mathbf{E}\in\mathbb{R}^{|V|\times|V|}$ is the matrix defined by $\mathbf{E}_{uu}=\mathbf{E}_{vv}=1$ and $\mathbf{E}_{uv}=\mathbf{E}_{vu}=-\sigma$, and $\mathbf{E}_{uv}=0$ for all other entries. Then let $\mathbf{e}\in\mathbb{R}^{|V|}$ be the vector defined by $\mathbf{e}_{u}=1$, $\mathbf{e}_{v}=-\sigma$ and $\mathbf{e}_{w}=0$ for all other entries. We have $\mathbf{E}=\mathbf{e}\mathbf{e}^{\mathrm{T}}$, and therefore $\mathbf{E}$ is positive-semidefinite. Now, due to the interlacing theorem mentioned above, adding a positive- semidefinite matrix to a given symmetric matrix can only increase each eigenvalue, but not decrease it. Therefore, $\lambda_{1}\leq\lambda^{\prime}_{1}$, and thus $\xi\leq\xi^{\prime}$. ∎ We have thus proved that adding an edge of any sign to a signed network can only increase the algebraic conflict, not decrease it. It also follows that removing an edge of any sign from a signed network can decrease the algebraic conflict or leave it unchanged, but not increase it. ## 7 Maximizing Structural Balance: Signed Spectral Clustering One of the main application areas of the graph Laplacian are clustering problems. In spectral clustering, the eigenvectors of matrices associated with a graph are used to partition the vertices of the graph into well-connected groups. In this section, we show that in a signed graph, the spectral clustering problem corresponds to finding clusters of vertices connected by positive edges, but not connected by negative edges. Spectral clustering algorithms are usually derived by formulating a minimum cut problem which is then relaxed [8, 39, 42, 43, 46]. The choice of the cut function results in different spectral clustering algorithms. In all cases, the vertices of a given graph are mapped into the space spanned by the eigenvectors of a matrix associated with the graph. In this section we derive a signed extension of the ratio cut, which leads to clustering with the signed Laplacian $\mathbf{L}$. We restrict our proofs to the case of clustering vertices into two groups; higher-order clusterings can be derived analogously. ### 7.1 Unsigned Graphs We first review the derivation of the ratio cut in unsigned graphs. Let $G=(V,E)$ be an unsigned graph with adjacency matrix $\mathbf{A}$. A cut of $G$ is a partition of the vertices $V$ into the nonempty sets $V_{1}$ and $V_{2}$, whose weight is given by $\displaystyle\mathrm{Cut}(V_{1},V_{2})=|\\{\\{u,v\\}\in E\mid u\in V_{1},v\in V_{2}\\}|.$ The cut measures how well two clusters are connected. Since we want to find two distinct groups of vertices, the cut must be minimized. Minimizing $\mathrm{Cut}(V_{1},V_{2})$ however leads in most cases to solutions separating very few vertices from the rest of the graph. Therefore, the cut is usually divided by the size of the clusters, giving the ratio cut: $\displaystyle\mathrm{RatioCut}(V_{1},V_{2})=\left(\frac{1}{|V_{1}|}+\frac{1}{|V_{2}|}\right)\mathrm{Cut}(V_{1},V_{2})$ To get a clustering, we then solve the following optimization problem: $\displaystyle\min_{V_{1}\subset V}\quad\mathrm{RatioCut}(V_{1},V\setminus V_{1})$ Let $V_{2}=V\setminus V_{1}$. Then this problem can be solved by expressing it in terms of the characteristic vector $\mathbf{x}\in\mathbb{R}^{|V|}$ of $V_{1}$ defined by: $\displaystyle\mathbf{x}_{u}=\left\\{\begin{array}[]{ll}+\sqrt{|V_{2}|/|V_{1}|}&\textnormal{ if }u\in V_{1}\\\ -\sqrt{|V_{1}|/|V_{2}|}&\textnormal{ if }u\in V_{2}\end{array}\right.$ (12) We observe that $\mathbf{x}\mathbf{L}\mathbf{x}^{\mathrm{T}}=2|V|\cdot\mathrm{RatioCut}(V_{1},V_{2})$, and that $\sum_{u}\mathbf{x}_{u}=0$, i.e., $\mathbf{x}$ is orthogonal to the constant vector. Denoting by $\mathcal{X}$ the vectors $\mathbf{x}$ of the form given in Equation (12) we have $\displaystyle\min_{\mathbf{x}\in\mathbb{R}^{|V|}}$ $\displaystyle\mathbf{x}\mathbf{L}\mathbf{x}^{\mathrm{T}}$ (13) $\displaystyle\mathrm{s.t.}$ $\displaystyle\mathbf{x}\cdot\mathbf{1}=0,\mathbf{x}\in\mathcal{X}$ This can be relaxed by removing the constraint $\mathbf{x}\in\mathcal{X}$, giving as solution the eigenvector of $\mathbf{L}$ having the smallest nonzero eigenvalue [39]. ### 7.2 Signed Graphs We now give a derivation of the ratio cut for signed graphs. Let $G=(V,E,\sigma)$ be a signed graph with adjacency matrix $\mathbf{A}$. We write $\mathbf{A}^{\oplus}$ and $\mathbf{A}^{\ominus}$ for the adjacency matrices containing only the positive and negative edges. In other words, $\mathbf{A}^{\oplus}_{uv}=\max(0,\mathbf{A}_{uv})$, $\mathbf{A}^{\ominus}_{uv}=\max(0,-\mathbf{A}_{uv})$ and $\mathbf{A}=\mathbf{A}^{\oplus}-\mathbf{A}^{\ominus}$. For convenience we define positive and negative cuts that only count positive and negative edges respectively: $\displaystyle\mathrm{Cut}^{\oplus}(V_{1},V_{2})$ $\displaystyle=$ $\displaystyle\sum_{u\in V_{1},v\in V_{2}}\mathbf{A}^{\oplus}_{uv}$ $\displaystyle\mathrm{Cut}^{\ominus}(V_{1},V_{2})$ $\displaystyle=$ $\displaystyle\sum_{u\in V_{1},v\in V_{2}}\mathbf{A}^{\ominus}_{uv}$ In these definitions, we allow $V_{1}$ and $V_{2}$ to be overlapping. For a vector $\mathbf{x}\in\mathbb{R}^{|V|}$, we consider the bilinear form $\mathbf{x}^{\mathrm{T}}\mathbf{L}\mathbf{x}$. As shown in Equation (5.1), this can be written in the following way: $\displaystyle\mathbf{x}^{\mathrm{T}}\mathbf{L}\mathbf{x}=\sum_{\\{u,v\\}\in E}(\mathbf{x}_{u}-\sigma(\\{u,v\\})\mathbf{x}_{v})^{2}$ For a given partition $V=V_{1}\cup V_{2}$, let $\mathbf{x}\in\mathbb{R}^{|V|}$ be the following vector: $\displaystyle\mathbf{x}_{u}=\left\\{\begin{array}[]{ll}+\frac{1}{2}\left(\sqrt{\frac{|V_{1}|}{|V_{2}|}}+\sqrt{\frac{|V_{2}|}{|V_{1}|}}\right)&\textnormal{ if }u\in V_{1}\\\ -\frac{1}{2}\left(\sqrt{\frac{|V_{1}|}{|V_{2}|}}+\sqrt{\frac{|V_{2}|}{|V_{1}|}}\right)&\textnormal{ if }u\in V_{2}\end{array}\right.$ (16) The corresponding bilinear form then becomes: $\displaystyle\mathbf{x}^{\mathrm{T}}\mathbf{L}\mathbf{x}$ $\displaystyle=$ $\displaystyle\sum_{\\{u,v\\}\in E}\left(\mathbf{x}_{u}-\sigma(\\{u,v\\})\mathbf{x}_{v}\right)^{2}$ $\displaystyle=$ $\displaystyle|V|\left(\frac{1}{|V_{1}|}+\frac{1}{|V_{2}|}\right)\left(2\cdot\mathrm{Cut}^{\oplus}(V_{1},V_{2})+\mathrm{Cut}^{\ominus}(V_{1},V_{1})+\mathrm{Cut}^{\ominus}(V_{2},V_{2})\right)$ This leads us to define the following signed cut of $(V_{1},V_{2})$: $\displaystyle\mathrm{SignedCut}(V_{1},V_{2})$ $\displaystyle=$ $\displaystyle\mathrm{Cut}^{\oplus}(V_{1},V_{2})+\frac{1}{2}\left(\mathrm{Cut}^{\ominus}(V_{1},V_{1})+\mathrm{Cut}^{\ominus}(V_{2},V_{2})\right)$ and to define the signed ratio cut as follows: $\displaystyle\mathrm{SignedRatioCut}(V_{1},V_{2})=\left(\frac{1}{|V_{1}|}+\frac{1}{|V_{2}|}\right)\mathrm{SignedCut}(V_{1},V_{2})$ Therefore, the following minimization problem solves the signed clustering problem: $\displaystyle\min_{V_{1}\subset V}\quad\mathrm{SignedRatioCut}(V_{1},V\setminus V_{1})$ We can now express this minimization problem using the signed Laplacian, where $\mathcal{X}$ denotes the set of vectors of the form given in Equation (16): $\displaystyle\min_{\mathbf{x}\in\mathbb{R}^{|V|}}$ $\displaystyle\quad\mathbf{x}\mathbf{L}\mathbf{x}^{\mathrm{T}}$ $\displaystyle\mathrm{s.t.}$ $\displaystyle\quad\mathbf{x}\in\mathcal{X}$ Note that we lose the orthogonality of $\mathbf{x}$ to the constant vector. This can be explained by the fact that if $G$ contains negative edges, the smallest eigenvector can always be used for clustering: If $G$ is balanced, the smallest eigenvalue is zero and its eigenvector equals $(\pm 1)$ and gives the two clusters separated by negative edges. If $G$ is unbalanced, then the smallest eigenvalue of $\mathbf{L}$ is larger than zero by Theorem 2, and the constant vector is not an eigenvalue. The signed cut $\mathrm{SignedCut}(V_{1},V_{2})$ counts the number of positive edges that connect the two groups $V_{1}$ and $V_{2}$, and the number of negative edges that remain in each of these groups. Thus, minimizing the signed cut leads to clusterings where two groups are connected by few positive edges and contain few negative edges inside each group. This signed ratio cut generalizes the ratio cut of unsigned graphs and justifies the use of the signed Laplacian $\mathbf{L}$ and its particular definition for spectral clustering of signed graphs. ### 7.3 Signed Clustering using Other Matrices When instead of normalizing with the number of vertices $|V_{1}|$ we normalize with the number of edges $\mathrm{vol}(V_{1})$, the result is a spectral clustering algorithm based on the eigenvectors of $\mathbf{D}^{-1}\mathbf{A}$ introduced by Shi and Malik [46]. The cuts normalized by $\mathrm{vol}(V_{1})$ are called normalized cuts. In the signed case, the eigenvectors of $\mathbf{D}^{-1}\mathbf{A}$ lead to the signed normalized cut: $\displaystyle\mathrm{SignedNormalizedCut}(V_{1},V_{2})$ $\displaystyle=$ $\displaystyle\left(\frac{1}{\mathrm{vol}(V_{1})}+\frac{1}{\mathrm{vol}(V_{2})}\right)\mathrm{SignedCut}(V_{1},V_{2})$ A similar derivation can be made for normalized cuts based on $\mathbf{N}=\mathbf{D}^{-1/2}\mathbf{A}\mathbf{D}^{-1/2}$, generalizing the spectral clustering method of Ng, Jordan and Weiss [43]. The dominant eigenvector of the signed adjacency matrix $\mathbf{A}$ can also be used for signed clustering [2]. As in the unsigned case, this method is not suited for very sparse graphs, and does not have an interpretation in terms of cuts. #### Example As an application of signed spectral clustering to real-world data, we cluster the tribes in the Highland tribes network. The resulting graph contains cycles with an odd number of negative edges, and therefore its signed Laplacian matrix is positive-definite. We use the eigenvectors of the two smallest eigenvalues ($\lambda_{1}=1.04$ and $\lambda_{2}=2.10$) to embed the graph into the plane. The result is shown in Figure 11. We observe that indeed the positive (green) edges are short, and the negative (red) edges are long. Looking at only the positive edges, the drawing makes the two connected components easy to see. Looking at only the negative edges, we recognize that the tribal groups can be clustered into three groups, with no negative edges inside any group. These three groups correspond indeed to a higher-order grouping in the Gahuku–Gama society [16]. Figure 11: The tribal groups of the Eastern Central Highlands of New Guinea from the study of Read [44] clustered using eigenvectors of the Laplacian matrix. The three higher-order groups as described by Hage and Harary [16] are linearly separable. ## 8 Predicting Structural Balance: Signed Resistance Distance In the field of network analysis, one of the major applications consists in predicting the state of an evolving network in the future. When considering only the network structure, the corresponding learning problem is the link prediction problem. In this section, we will show that a certain class of link prediction algorithms based on algebraic graph theory are particularly suited to signed social networks, since they fulfill three natural requirements that a link prediction method should follow. We will state the three conditions, and then present two algebraic link prediction methods: the exponential of the adjacency matrix and the signed resistance distance. We then finally evaluate the methods on the task of link prediction. First however, let us give the correct terminology and define the link prediction problem for unsigned and signed social networks. Although we state both problems in terms of social networks, both problems can be extended to other networks. Actual social networks are not static graphs, but dynamic systems in which nodes and edges are added and removed continuously. The main type of change being the addition of edges, i.e., the appearance of a new tie. Predicting such ties is a common task. For instance, social networking sites try to predict who users are likely to already know in order to give good friend recommendations. Let $G=(V,E)$ be an unsigned social network. The link prediction then consists of predicting new edges in that network, a link prediction algorithm is thus a function mapping a given network to edge predictions. In this work, we will express link prediction functions algebraically as a map from the $|V|\times|V|$ adjacency matrix of a network to another $|V|\times|V|$ matrix containing link prediction scores. The semantics of these scores is that higher values denote a higher likelihood of link formation. Apart from that, we do not put any other constraint on link prediction scores. In particular, link prediction scores do not have to be nonnegative, or restricted to the range $[0,1]$. In the case of signed social networks, the link prediction problem is usually restricted to predicting positive edges. This is easily motivated by the example of a social recommender system, which should recommend friends and not enemies. Thus, the link prediction problem for signed networks can be formalized in the same fashion as for unsigned networks, by a function from the space of adjacency matrices (containing positive and negative entries) to the space of score matrices. A link prediction function $f$ for signed networks will thus be denoted as follows: $\displaystyle f:\\{-1,0,+1\\}^{|V|\times|V|}\rightarrow\mathbb{R}^{|V|\times|V|}$ A note is in order about the related problem of _link sign prediction_. In the problem of link sign prediction, a signed (social) network is given, along with a set of unweighted edges, and the goal is the predict the sign of the edges [32, 37]. This problem is different from the link prediction problem in that for each given edge, it is known that the edge is part of the network, and only its sign must be predicted. By contrast, the link prediction problem assumes no knowledge about the network and consists in finding the positive edges. #### Requirements of a Link Prediction Function The structure of the link prediction problem implies two requirements for a link prediction function, in relation with paths connecting any two nodes. In addition, the presence of negative edges implies a third requirement, in relation to the edge signs in paths connecting two nodes. Let $V$ be a fixed set of vertices, and $G_{1}=(V,E_{1})$ and $G_{2}=(V,E_{2})$ two unsigned networks with the same vertex sets. Let $u,v\in V$ be two vertices and $f$ a link prediction function. Then, compare the set set of paths connecting the vertices $u$ and $v$, both in $G_{1}$ and in $G_{2}$. Two requirements should be fulfilled by $f$: * • Path counts: If more paths between $u$ and $v$ are present in $G_{1}$ than $G_{2}$, than $f$ should return a higher score for the pair $(u,v)$ in $G_{1}$ than in $G_{2}$. * • Path lengths: If paths between $u$ and $v$ are longer in $G_{1}$ than in $G_{2}$, then $f$ should return a lower score for the pair $(u,v)$ in $G_{1}$ than in $G_{2}$. In addition, the following requirement can be formulated for signed networks. In this requirement, we will refer to a path as positive when it contains an even number of negative edges and as negative when it contains an odd number of negative edges. * • Path signs: If paths between $u$ and $v$ are more often positive in $G_{1}$ than in $G_{2}$, than $f$ should return a higher score for the pair $(u,v)$ in $G_{1}$ than in $G_{2}$. These three requirements are fulfilled by several link prediction functions, of which we review one and introduce another in the following. ### 8.1 Signed Matrix Exponential Let $G=(V,E,\sigma)$ be a signed network with adjacency matrix $\mathbf{A}$. Its exponential is then defined as $\displaystyle e^{\alpha\mathbf{A}}$ $\displaystyle=$ $\displaystyle\mathbf{I}+\mathbf{A}+\frac{1}{2}\mathbf{A}^{2}+\frac{1}{6}\mathbf{A}^{3}+\cdots$ This exponential with the parameter $\alpha>0$ is a suitable link prediction function for signed networks as it can be expressed as a sum over all paths between any two nodes. Let $P_{G}(u,v,k)$ be the set of paths of length $k$ in the graph $G$. In this definition, we allow a path to cross a single vertex multiple times, and set the length of a path as being the number of edges it contains. Furthermore, let $\displaystyle(v_{0},v_{1},\ldots,v_{k})\in P_{G}(u,v,k)$ with $u=v_{0}$ and $v=v_{k}$. Then, any power of $\mathbf{A}$ can be expressed as $\displaystyle(\mathbf{A}^{k})_{uv}$ $\displaystyle=$ $\displaystyle\sum_{(v_{0},\ldots,v_{k})\in P_{G}(u,v,k)}\prod_{i=1}^{k}\sigma(\\{v_{i-1},v_{i}\\}).$ In other words, the $k$th power of the adjacency matrix equals a sum over all paths of length $k$, weighted by the product of their edge signs. This leads to the following expression for the matrix exponential: $\displaystyle(e^{\alpha\mathbf{A}})_{uv}$ $\displaystyle=$ $\displaystyle\sum_{k=0}^{\infty}\frac{\alpha^{k}}{k!}\sum_{(v_{0},\ldots,v_{k})\in P_{G}(u,v,k)}\prod_{i=1}^{k}\sigma(\\{v_{i-1},v_{i}\\}).$ In other words, the matrix exponential is a sum over all paths between any two nodes, weighted by the function $\alpha^{k}/k!$ of their path length. This implies that the matrix exponential is a suitable link sign prediction function for signed networks, since it fulfills all three requirements: * • Path counts: The exponential function is a sum over paths and thus counts paths. * • Path lengths: The function $\alpha^{k}/k!$ is decreasing in $k$, for suitably small values of $\alpha$. * • Path signs: Signs are taken into account by multiplication. Thus, the exponential of the adjacency matrix is a link prediction function for signed networks. Other, similar functions can be constructed, for instance the function $(\mathbf{I}-\alpha\mathbf{A})^{-1}$ is known as the Neumann kernel, in which $\alpha$ is chosen such that $\alpha^{-1}>|\lambda_{1}|$, $|\lambda_{1}|$ being $\mathbf{A}$’s largest absolute eigenvalue, or equivalently the graph’s spectral norm [24]. Both the matrix exponential and the Neumann kernel can be applied to the normalized adjacency matrix $\mathbf{N}=\mathbf{D}^{-1/2}\mathbf{A}\mathbf{D}^{-1/2}$, in which each edge $\\{u,v\\}$ is weighted by $\sqrt{d(u)d(v)}$, i.e., the geometric mean of the degrees of $u$ and $v$. The rationale behind this normalization is to count a connection as less important if it is one of many that attaches to a node. ### 8.2 Signed Resistance Distance The resistance distance is a metric defined on vertices of a graph inspired from electrical resistance networks. When an electrical current is applied to an electrical network of resistors, the whole network acts as a single resistor whose resistance is a function of the individual resistances. In such an electrical network, any two nodes of the network can be taken as the endpoint of the total resistance, giving a function defined between every pair of nodes. As shown in [26], this function is a metric, usually called the _resistance distance_. Intuitively, two nodes further apart are separated by a greater equivalent resistance, while nodes closer to each other lead to a small resistance distance. This distance function has been used before to perform collaborative filtering [11, 12, 13], and it fulfills the first two of our assumptions, when actual edge weights are interpreted as inverse resistances, i.e., conductances: * • Path counts: Parallel resistances are inverse-additive, and parallel conductances are additive. * • Path lengths: Resistances in series are additive and conductances in series inverse-additive. As the resistance distance by default only applies to nonnegative values, previous works use it on nonnegative data, such as unsigned social networks or document view counts. In the presence of signed edges, the resistance distance can be extended by the following formalism, which fulfills the third requirement on path signs. A positive electrical resistance indicates that the potentials of two connected nodes will tend to each other: The smaller the resistance, the more both potentials approach each other. Therefore, a positive edge can be represented as a unit resistor. If an edge is negative, we can interpret the connection as consisting of a unit resistor in series with an _inverting amplifier_ that guarantees its ends to have opposite voltage, as depicted in Figure 12. In other words, two nodes connected by a negative edge will tend to opposite voltages. Figure 12: Interpretation of positive and negative edges as electrical components. An edge with a negative weight is interpreted as a positive resistor in series with an inverting component (shown as $\circleddash$). Thus, a positive edge can be modeled by a unit resistor and a negative edge can be modeled by a unit resistor in series with a (hypothetical) electrical component that assures its ends have opposite electrical potential. Note that the absence of an edge is modeled by the absence of a resistor, which is equivalent to a resistor with infinite resistance. Thus, actual edge weights and scores correspond not to resistances, but to inverse resistance, i.e., conductances. We now establish a closed-form expression giving the resistance distance between all node pairs based on [26]. #### Definitions The following notation is used. * • $\mathbf{J}_{uv}$ is the current flowing through the oriented edge $(u,v)$. $\mathbf{J}$ is skew-symmetric: $\mathbf{J}_{uv}=-\mathbf{J}_{vu}$. * • $\mathbf{v}_{u}$ is the electric potential at node $u$. Potentials are defined up to an additive constant. * • $\mathbf{R}_{uv}$ is the resistance value of edge $(u,v)$. Note that $\mathbf{R}_{uv}=\mathbf{R}_{vu}$. In electrical networks, the current entering a node must be equal to the current leaving that node. This relation is known as _Kirchhoff’s law_ , and can be expressed as $\sum_{v\sim u}\mathbf{J}_{uv}=0$ for all $u\in V$. We assume that a current $j$ will be flowing through the network from vertex $a$ to vertex $b$, and therefore we have $\displaystyle\sum_{(v,a)}\mathbf{J}_{av}$ $\displaystyle=$ $\displaystyle j,$ $\displaystyle\sum_{(v,b)}\mathbf{J}_{bv}$ $\displaystyle=$ $\displaystyle-j.$ Using the identity matrix $\mathbf{I}$, we express these relations as $\displaystyle\sum_{(v,u)}\mathbf{J}_{uv}=j(\mathbf{I}_{ua}-\mathbf{I}_{ub})$ (17) The relation between currents and potentials is given by Ohm’s law: $\mathbf{v}_{u}-\mathbf{v}_{v}=\mathbf{R}_{uv}\mathbf{J}_{uv}$ for all edges $(u,v)$. We will now show that the equivalent resistance $\mathbf{\bar{R}}_{ab}$ between $a$ and $b$ in the network can be expressed in terms of the graph Laplacian $\mathbf{L}$ as $\displaystyle\mathbf{\bar{R}}_{ab}$ $\displaystyle=$ $\displaystyle(\mathbf{I}_{a\bullet}-\mathbf{I}_{b\bullet})\mathbf{L}^{+}(\mathbf{I}_{a\bullet}-\mathbf{I}_{b\bullet})^{\mathrm{T}},$ $\displaystyle=$ $\displaystyle\mathbf{L}^{+}_{aa}+\mathbf{L}^{+}_{bb}-\mathbf{L}^{+}_{ab}-\mathbf{L}^{+}_{ba},$ where $\mathbf{L}^{+}$ is the Moore–Penrose pseudoinverse of $\mathbf{L}$ [26]. The proof follows from recasting Equation (17) as: $\displaystyle\sum_{(v,u)}\frac{1}{\mathbf{R}_{uv}}(\mathbf{v}_{u}-\mathbf{v}_{v})$ $\displaystyle=j(\mathbf{I}_{ua}-\mathbf{I}_{ub})$ Combining over all $u\in V$: $\displaystyle\mathbf{D}\mathbf{v}-\mathbf{A}\mathbf{v}$ $\displaystyle=$ $\displaystyle j(\mathbf{I}_{a\bullet}-\mathbf{I}_{b\bullet})$ $\displaystyle\mathbf{L}\mathbf{v}$ $\displaystyle=$ $\displaystyle j(\mathbf{I}_{a\bullet}-\mathbf{I}_{b\bullet})$ Let $\mathbf{L}^{+}$ be the Moore–Penrose pseudoinverse of $\mathbf{L}$, then because $\mathbf{v}$ is contained in the row space of $\mathbf{L}$ [26], we have $\mathbf{L}^{+}\mathbf{L}\mathbf{v}=\mathbf{v}$, and we get $\displaystyle\mathbf{v}$ $\displaystyle=$ $\displaystyle\mathbf{L}^{+}j(\mathbf{I}_{a\bullet}-\mathbf{I}_{b\bullet})$ Which finally gives the equivalent resistance between $a$ and $b$ as $\displaystyle\mathbf{\tilde{R}}_{ab}$ $\displaystyle=$ $\displaystyle(\mathbf{v}_{a}-\mathbf{v}_{b})/j$ $\displaystyle=$ $\displaystyle(\mathbf{I}_{a\bullet}-\mathbf{I}_{b\bullet})^{\mathrm{T}}\mathbf{v}/j$ $\displaystyle=$ $\displaystyle(\mathbf{I}_{a\bullet}-\mathbf{I}_{b\bullet})^{\mathrm{T}}\mathbf{L}^{+}(\mathbf{I}_{a\bullet}-\mathbf{I}_{b\bullet})$ A symmetry argument shows that $\mathbf{\tilde{R}}_{ab}=\mathbf{\tilde{R}}_{ba}$ as expected. As shown in [26], $\mathbf{\tilde{R}}$ is a metric. The definition of the resistance distance can be extended to signed networks in the following way. | | | ---|---|---|--- $\textstyle{(a)}$$\textstyle{\bullet}$$\scriptstyle{r_{1}=+1}$$\textstyle{\bullet}$$\scriptstyle{r_{2}=-1}$$\textstyle{\bullet}$$\textstyle{r=r_{1}+r_{2}=0}$$\textstyle{(b)}$$\textstyle{\bullet}$$\scriptstyle{r_{1}=+1}$$\scriptstyle{r_{2}=-1}$$\textstyle{\bullet}$$\textstyle{r=\frac{r_{1}r_{2}}{r_{1}+r_{2}}=-1/0}$ Figure 13: Applying the sum rules to negative resistance values leads to contradictions. Figure 13 shows two examples in which we allow negative resistance values in Equation (8.2): two parallel edges, and two serial edges. In these examples, we will use the sum rules that hold for electrical resistances: resistances in series add up and conductances in parallel also add up. Therefore, the constructions of Figure 13. would result in a total resistance of zero for case (a), and an undefined total resistance in case (b). However, the graph of Figure 13 (a) could result from two users $a$ and $b$ having a positive and a negative correlation with a third user $c$. Intuitively, the resulting distance between $a$ and $b$ should take on a negative value. In the graph of Figure 13 (b), the intuitive result would be $r=-1/2$. What we would like is for the sign and magnitude of the equivalent resistance to be handled separately: The sum rules should hold for the _absolute values_ of the resistance similarity values, while the sign should obey a product rule. These requirements are summarized in Figure 14. | | | ---|---|---|--- $\textstyle{(a)}$$\textstyle{\bullet}$$\scriptstyle{r_{1}=+1}$$\textstyle{\bullet}$$\scriptstyle{r_{2}=-1}$$\textstyle{\bullet}$$\textstyle{r=\mathrm{sgn}(r_{1}r_{2})(|r_{1}|+|r_{2}|)=-2}$$\textstyle{(b)}$$\textstyle{\bullet}$$\scriptstyle{r_{1}=+1}$$\scriptstyle{r_{2}=-1}$$\textstyle{\bullet}$$\textstyle{r=\frac{r_{1}r_{2}}{|r_{1}|+|r_{2}|}=-1/2}$ Figure 14: Applying modified sum rules resolves the contradictions. To achieve the serial sum equation proposed in Figure 14, we propose the following interpretation of a negative resistance: * • An edge carrying a negative resistance value acts like the corresponding positive resistance in series with a component that negates potentials. A component that negates electric potential cannot exist in physical electrical networks, because it violates an invariant of electrical circuit: The invariant stating that potentials are only defined up to an additive constant. However, as we will see below, the potential inversion gets canceled out in the calculations, yielding results independent of any additive constant. For this reason, we will talk of negative resistances, but avoid the term resistor in this context. Before giving a closed-form expression for the signed resistance distance, we provide three intuitive examples validating our definition in Figure 15. $\textstyle{(a)}$$\textstyle{A}$$\textstyle{\bullet}$$\textstyle{\bullet}$$\textstyle{B}$$\textstyle{r>1}$$\textstyle{(b)}$$\textstyle{A}$$\textstyle{B}$$\textstyle{0<r<1}$$\textstyle{(c)}$$\textstyle{A}$$\textstyle{\bullet}$$\textstyle{\bullet}$$\textstyle{B}$$\textstyle{r<0}$$\textstyle{(d)}$$\textstyle{A}$$\textstyle{\bullet}$$\textstyle{\bullet}$$\textstyle{B}$$\textstyle{r>0}$ Figure 15: Example configurations of signed resistance values. The total resistance is to be calculated between the nodes A and B. All edges have unit absolute resistance. Edges with negative resistance values are shown as dotted lines. For each case, we formulate a condition that should hold for any signed resistance distance. * • Example (a) shows that, as a path of resistances in series gets longer, the resulting resistance increases. This conditions applies to the regular resistance distance as well as to the signed resistance distance. In this case, the total resistance should be higher than one. * • Example (b) shows that a higher number of parallel resistances decreases the resulting resistance value. Again, this is true for both types of resistances. In this example, the total resistance should be less than one. * • Examples (c) and (d) show that in a path of signed resistances, the total resistance has the sign of the product of individual resistances. This condition is particular to the signed resistance distance. We will now show how Kirchhoff’s law has to be adapted to support our definition of negative resistances. We adapt Equation (17) by applying the absolute value to the resistance weight. $\displaystyle\sum_{(v,u)}\frac{1}{|\mathbf{R}_{uv}|}(\mathbf{v}_{u}-\mathrm{sgn}({\mathbf{R}_{uv}})\mathbf{v}_{v})=0$ where $\mathrm{sgn}(x)$ denotes the sign function. In terms of the matrices $\mathbf{D}$ and $\mathbf{L}$ we arrive at $\displaystyle\mathbf{D}_{uu}$ $\displaystyle=$ $\displaystyle\sum_{(v,u)}|1/\mathbf{R}_{uv}|$ $\displaystyle\mathbf{L}$ $\displaystyle=$ $\displaystyle\mathbf{D}-\mathbf{A}$ $\displaystyle\mathbf{\tilde{r}}_{ab}$ $\displaystyle=$ $\displaystyle(\mathbf{I}_{a\bullet}-\mathbf{I}_{b\bullet})\mathbf{L}^{+}(\mathbf{I}_{a\bullet}-\mathbf{I}_{b\bullet})^{\mathrm{T}}$ $\displaystyle=$ $\displaystyle\mathbf{L}^{+}_{aa}+\mathbf{L}^{+}_{bb}-\mathbf{L}^{+}_{ab}-\mathbf{L}^{+}_{ba}.$ The proof follows analogously to the proof for the regular resistance distance by noting that $\mathbf{v}$ is again contained in the row space of $\mathbf{L}$. $\displaystyle\mathbf{L}^{+}\mathbf{L}\mathbf{v}=\mathbf{v}$ From which the result follows. As with the regular resistance distance, the signed resistance distance is symmetric: $\mathbf{\tilde{R}}_{ab}=\mathbf{\tilde{R}}_{ba}$. Due to a duality between electrical networks and random walks [10], the resistance distance is also known as the commute-time kernel, and its values can be interpreted as the average time it takes a random walk to _commute_ , i.e., to go from a node $u$ to another node $v$ and back to $u$ again. The matrix $\mathbf{L}^{+}$ will be called the resistance distance kernel. Similarly, the matrix $\mathbf{e}^{-\alpha\mathbf{L}}$ is known as the heat diffusion kernel, because it can be derived from a physical process of heat diffusion. Both of these kernels can be normalized, i.e., they can be applied to the normalized adjacency matrix $\mathbf{N}=\mathbf{D}^{-1/2}\mathbf{A}\mathbf{D}^{-1/2}$, giving the normalized resistance distance kernel and the normalized heat diffusion kernel. We note that the normalized heat diffusion kernel is equivalent to the normalized exponential kernel [47]. The degree matrix $\mathbf{D}$ of a signed graph is defined in this article using $\mathbf{D}_{uu}=\sum_{v}|\mathbf{A}_{uv}|$ in the general case. In some contexts, an alternative degree matrix $\mathbf{D}_{\mathrm{alt}}$ is defined without the absolute value: $\displaystyle(\mathbf{D}_{\mathrm{alt}})_{uu}=\sum_{v}\mathbf{A}_{uv}$ This leads to an alternative Laplacian matrix $\mathbf{L}_{\mathrm{alt}}=\mathbf{D}_{\mathrm{alt}}-\mathbf{A}$ for signed graphs that is not positive-semidefinite. This Laplacian is used in the context of knot theory [38], to draw graphs with negative edge weights [27], and to implement constrained clustering, i.e., clustering with _must-link_ and _must-not-link_ edges [7]. Since $\mathbf{L}_{\mathrm{alt}}$ is not positive- semidefinite in the general case, it cannot be used as a kernel. Expressions of the form $(\sum_{i}|\mathbf{w}_{i}|)^{-1}\sum_{i}\mathbf{w}_{i}\mathbf{x}_{i}$ appeared several times in the preceding sections. These types of expressions represent a weighted mean of the values $\mathbf{x}_{i}$, supporting negative values of the weights $\mathbf{w}_{i}$. These expressions have been used for some time in the collaborative filtering literature without being connected to the signed Laplacian, for instance in [45]. ### 8.3 Evaluation We compare the methods shown in Table 4 at the task of link prediction in signed social networks. Evaluation is performed using the following methodology. Let $G=(V,E,\sigma)$ be any of the signed networks, and let $\displaystyle E=E_{\mathrm{a}}\cup E_{\mathrm{b}}$ be a partition of the edge set $E$ into a training set $E_{\mathrm{a}}$ and a test set $E_{\mathrm{b}}$. The training set is chosen to comprise 75% of all edges. For the networks in which edge arrival times are known (Epinions, Wikipedia elections, Wikipedia conflict), the split is made in such a way that all edges in the training set $E_{\mathrm{a}}$ are older than the edges in the test set $E_{\mathrm{b}}$. Each link prediction method is then applied to the training network $\displaystyle G_{\mathrm{a}}=(V,E_{\mathrm{a}}).$ Let $E^{+}_{\mathrm{b}}$ denote the test edges with positive sign. Then, a zero test set $E_{\mathrm{z}}$ of edges not in the network at all is generated, having the same size as $E^{+}_{\mathrm{b}}$. Then, the scores of each link prediction algorithm are computed for all node pairs in $E^{+}_{\mathrm{b}}$ and $E_{\mathrm{z}}$, and the accuracy of each link prediction algorithm evaluated on $E^{+}_{\mathrm{b}}$ and $E_{\mathrm{z}}$ using the area under the curve (AUC) measure [3]. The area under the curve is a number in the range $[0,1]$ which is larger for better predictions, and admits a value of 0.5 for a random predictor. The parameters $\alpha$ of the various link prediction functions are learned using the method described in [31]. The results of the experiments are shown in Table 5. Table 4: The link prediction functions evaluated on the signed social network datasets. Each method is a function of a specific characteristic graph matrix: $\mathbf{A}$, the adjacency matrix; $\mathbf{N}=\mathbf{D}^{-1/2}\mathbf{A}\mathbf{D}^{-1/2}$, the normalized adjacency matrix; $\mathbf{L}=\mathbf{D}-\mathbf{A}$, the Laplacian matrix; and $\mathbf{Z}=\mathbf{I}-\mathbf{N}=\mathbf{D}^{-1/2}\mathbf{L}\mathbf{D}^{-1/2}$, the normalized Laplacian matrix. Name | Expression ---|--- Exponential (Exp) | $e^{\alpha\mathbf{A}},0<\alpha$ Neumann kernel (Neu) | $(\mathbf{I}-\alpha\mathbf{A})^{-1},0<\alpha<\mathopen{\parallel}\mathbf{A}\mathclose{\parallel}_{2}^{-1}$ Normalized exponential (N-Exp) | $e^{\alpha\mathbf{A}},0<\alpha$ Normalized Neumann kernel (N-Neu) | $(\mathbf{I}-\alpha\mathbf{N})^{-1},0<\alpha<1$ Resistance distance (Resi) | $\mathbf{L}^{+}$ Heat diffusion (Heat) | $e^{-\alpha\mathbf{L}},0<\alpha$ Normalized resistance distance (N-Resi) | $\mathbf{Z}^{+}$ Normalized heat diffusion | Equivalent to Normalized exponential Table 5: The full evaluation results. The numbers are the area under the curve values (AUC); higher values denote better link prediction accuracy. The best performing link prediction algorithm for each dataset is highlighted in bold. Network | Exp | Neu | N-Exp | N-Neu | Resi | Heat | N-Resi ---|---|---|---|---|---|---|--- Slashdot Zoo | 68.98% | 67.71% | 64.87% | 65.68% | 61.64% | 59.11% | 65.71% Epinions | 75.04% | 73.12% | 78.38% | 78.65% | 63.26% | 63.28% | 78.82% Wikipedia elections | 57.08% | 55.60% | 60.30% | 61.16% | 51.44% | 50.60% | 60.98% Wikipedia conflicts | 85.57% | 85.56% | 85.03% | 85.03% | 87.02% | 85.95% | 85.04% We observe that the best link prediction method depends on the dataset. Each of the exponential, the normalized Neumann kernel, the resistance distance kernel and the normalized resistance distance kernel performs best for one or more datasets. ## 9 Conclusion We have reviewed network analysis methods for signed social networks – social networks that allow positive and negative edges. A main theme we found is that of structural balance, the statement that triangles in a signed social network tend to be balanced, and on a larger scale the tendency of a whole network to have a structure conforming to that assumption. We showed how this can be measured in two different ways: on the scale of triangles by the signed clustering coefficient, and on the global scale by the algebraic conflict, the smallest eigenvalue of the graph Laplacian. We also showed how structural balance can be exploited for graph drawing, graph clustering, and finally for implementing social recommenders, using signed link prediction algorithms. As structural balance can be seen as a form of multiplication rule (illustrated by the phrase _the enemy of my enemy is my friend_), it is expected that algebraic methods are well-suited to analysing signed social networks. Indeed, we identified functions of the adjacency matrix $\mathbf{A}$ and of the Laplacian matrix $\mathbf{L}$, which model negative edges in a natural way. In a more general sense, signed social networks can be understood as a stepping stone to the more general topic of _semantic networks_ , in which edges are labeled by arbitrary predicates. In such networks, the combination of labels to give a new label, in analogy with the multiplication rule of the signed edge weights $\\{\pm 1\\}$, cannot be directly mapped by real numbers, and a general method for that case is still an open problem in network theory. Certain subproblems have however already be identified, for instance the usage of split-complex imaginary numbers to represent the _like_ relationship [30]. ## Acknowledgments We thank Andreas Lommatzsch, Christian Bauckhage, Stephan Schmidt, Jürgen Lerner and Martin Mehlitz. The research leading to these results has received funding from the European Community’s Seventh Frame Programme under grant agreement no 257859, ROBUST. ## References * [1] M. Belkin and P. Niyogi. Laplacian eigenmaps and spectral techniques for embedding and clustering. In Advances in Neural Information Processing Systems, pages 585–591, 2002. * [2] P. Bonacich and P. Lloyd. Calculating status with negative relations. Social Networks, (26):331–338, 2004. * [3] A. P. Bradley. The use of the area under the ROC curve in the evaluation of machine learning algorithms. Pattern Recognition, 30:1145–1159, 1997. * [4] U. Brandes, D. Fleischer, and J. Lerner. Summarizing dynamic bipolar conflict structures. Trans. on Visualization and Computer Graphics, 12(6):1486–1499, 2006. * [5] U. Brandes and J. Lerner. Structural similarity: Spectral methods for relaxed blockmodeling. J. Classification, 27(3):279–306, 2010. * [6] L. Brožovský and V. Petříček. Recommender system for online dating service. 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AAAI Spring Symp. on Social Information Processing, 2008\. * [19] Y. P. Hou. Bounds for the least Laplacian eigenvalue of a signed graph. Acta Math. Sinica, 21(4):955–960, 2005. * [20] Y. P. Hou, J. S. Li, and Y. Pan. On the Laplacian eigenvalues of signed graphs. Linear and Multilinear Algebra, 1(51):21–30, 2003. * [21] B. Hu, X.-Y. Jiang, J.-F. Ding, Y.-B. Xie, and B.-H. Wang. A model of weighted network: the student relationships in a class. CoRR, cond-mat/0408125, 2004. * [22] G. Kalna and D. J. Higham. A clustering coefficient for weighted networks, with application to gene expression data. AI Commun., 20(4):263–271, 2007. * [23] S. D. Kamvar, M. T. Schlosser, and H. Garcia-Molina. The EigenTrust algorithm for reputation management in P2P networks. In Proc. Int. World Wide Web Conf., pages 640–651, 2003. * [24] J. Kandola, J. Shawe-Taylor, and N. Cristianini. Learning semantic similarity. In Advances in Neural Information Processing Systems, pages 657–664, 2002. * [25] C. D. Kerchove and P. V. Dooren. The PageTrust algorithm: How to rank Web pages when negative links are allowed? In Proc. SIAM Int. Conf. on Data Mining, pages 346–352, 2008. * [26] D. J. Klein and M. Randić. Resistance distance. J. Math. Chemistry, 12(1):81–95, 1993. * [27] Y. Koren, L. Carmel, and D. Harel. ACE: A fast multiscale eigenvectors computation for drawing huge graphs. In Symp. on Information Visualization, pages 137–144, 2002. * [28] J. Kunegis. On the Spectral Evolution of Large Networks. PhD thesis, University of Koblenz–Landau, 2011. * [29] J. Kunegis. KONECT – The Koblenz Network Collection. In Proc. Int. Web Observatory Workshop, pages 1343–1350, 2013. * [30] J. Kunegis, G. Gröner, and T. Gottron. Online dating recommender systems: The split-complex number approach. In Proc. Workshop on Recommender Systems and the Social Web, pages 37–44, 2012. * [31] J. Kunegis and A. Lommatzsch. Learning spectral graph transformations for link prediction. In Proc. Int. Conf. on Machine Learning, pages 561–568, 2009. * [32] J. Kunegis, A. Lommatzsch, and C. Bauckhage. The Slashdot Zoo: Mining a social network with negative edges. In Proc. Int. World Wide Web Conf., pages 741–750, 2009. * [33] J. Kunegis and S. Schmidt. Collaborative filtering using electrical resistance network models with negative edges. In Proc. Industrial Conf. on Data Mining, pages 269–282, 2007. * [34] J. Kunegis, S. Schmidt, C. Bauckhage, M. Mehlitz, and S. Albayrak. Modeling collaborative similarity with the signed resistance distance kernel. In Proc. European Conf. on Artificial Intelligence, pages 261–265, 2008. * [35] J. Kunegis, S. Schmidt, A. Lommatzsch, and J. Lerner. Spectral analysis of signed graphs for clustering, prediction and visualization. In Proc. SIAM Int. Conf. on Data Mining, pages 559–570, 2010. * [36] J. Leskovec, D. Huttenlocher, and J. Kleinberg. Governance in social media: A case study of the Wikipedia promotion process. In Proc. Int. Conf. on Weblogs and Social Media, pages 98–105, 2010\. * [37] J. Leskovec, D. Huttenlocher, and J. Kleinberg. Predicting positive and negative links in online social networks. In Proc. Int. Conf. on World Wide Web, pages 641–650, 2010. * [38] M. Lien and W. Watkins. Dual graphs and knot invariants. Linear Algebra and its Applications, 306(1):123–130, 2000. * [39] U. v. Luxburg. A tutorial on spectral clustering. Statistics and Computing, 17(4):395–416, 2007. * [40] P. Massa and P. Avesani. Controversial users demand local trust metrics: an experimental study on epinions.com community. In Proc. American Association for Artificial Intelligence Conf., pages 121–126, 2005. * [41] P. Massa and C. Hayes. Page-reRank: Using trusted links to re-rank authority. In Proc. Int. Conf. on Web Intelligence, pages 614–617, 2005. * [42] M. Meilă and J. Shi. A random walks view of spectral segmentation. In Proc. Int. Conf. on Artificial Intelligence and Statistics, 2001\. * [43] A. Y. Ng, M. I. Jordan, and Y. Weiss. On spectral clustering: Analysis and an algorithm. In Advances in Neural Information Processing Systems, pages 849–856, 2001. * [44] K. E. Read. Cultures of the Central Highlands, New Guinea. Southwestern J. of Anthropology, 10(1):1–43, 1954. * [45] B. M. Sarwar, G. Karypis, J. A. Konstan, and J. Riedl. Item-based collaborative filtering recommendation algorithms. In Proc. Int. World Wide Web Conf., pages 285–295, 2001. * [46] J. Shi and J. Malik. Normalized cuts and image segmentation. IEEE Trans. on Pattern Analysis and Machine Intelligence, 22(8):888–905, 2000. * [47] A. Smola and R. Kondor. Kernels and regularization on graphs. In Proc. Conf. on Learning Theory and Kernel Machines, pages 144–158, 2003. * [48] G. Theodorakopoulos and J. S. Baras. Linear iterations on ordered semirings for trust metric computation and attack resiliency evaluation. In Proc. Int. Symp. on Math. Theory of Networks and Systems, pages 509–514, 2006. * [49] D. J. Watts and S. H. Strogatz. Collective dynamics of ‘small-world’ networks. Nature, 393(1):440–442, 1998. * [50] J. H. Wilkinson. The Algebraic Eigenvalue Problem. Oxford University Press, 1965. * [51] B. Yang, W. Cheung, and J. Liu. Community mining from signed social networks. Trans. on Knowledge and Data Engineering, 19(10):1333–1348, 2007\. * [52] T. Zaslavsky. Signed graphs. Discrete Applied Math., 4:47–74, 1982. * [53] T. Zaslavsky. Matrices in the theory of signed simple graphs. In Proc. Int. Conf. Discrete Math., pages 207–229, 2008.
arxiv-papers
2014-02-27T11:32:50
2024-09-04T02:49:59.005704
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "J\\'er\\^ome Kunegis", "submitter": "J\\'er\\^ome Kunegis", "url": "https://arxiv.org/abs/1402.6865" }
1402.6871
00footnotetext: Received 15 Dec 201300footnotetext: *Supported by National Science Foundation of China(11205183,11005117,11225525,11390384 ) # Temperature dependence of the light yield of the LAB-based and mesitylene- based liquid scintillators XIA Dong-Mei1,2 YU Bo-Xiang1 Li Xiao-Bo1 SUN Xi-Lei1 DING Ya-Yun1 ZHOU Li1 CAO Jun1 HU Wei1,2 YE Xing-Cheng3 CHEN Hai-Tao4 DING Xue-Feng3 DU Bing1 [email protected] [email protected] 1 (State Key Laboratory of Particle Detection and Electronics (Institute of High Energy Physics, CAS), Beijing, 100049, China) 2 (University of Chinese Academy of Sciences, Beijing, 100049, China) 3 (Wuhan University, Hubei, 430072, China) 4 (Nanjing University of Aeronautics and Astronautics, Jiangsu, 210016, China) ###### Abstract We studied the temperature dependence of the light yield of the linear alkyl benzene (LAB)-based and mesitylene-based liquid scintillators. The light yield increases by 23% for both liquid scintillators when the temperature is lowered from $26\;^{\circ}$C to $-40\;^{\circ}$C, correcting for the temperature response of the photomultiplier tube. The measurements help to understand the energy response of the liquid scintillator detectors. Especially, the next generation reactor neutrino experiments for neutrino mass hierarchy, such as the Jiangmen Underground Neutrino Observatory (JUNO), require very high energy resolution. As no apparent degradation on the liquid scintillator transparency was observed, lowering the operation temperature of the detector to $\sim 4\;^{\circ}$C will increase the photoelectron yield of the detector by 13%, combining the light yield increase of the liquid scintillator and the quantum efficiency increase of the photomultiplier tubes. ###### keywords: liquid scintillator, reactor neutrino, linear alkyl benzene, mesitylene ###### pacs: 2 9.40.Mc 00footnotetext: $\scriptstyle\copyright$2013 Chinese Physical Society and the Institute of High Energy Physics of the Chinese Academy of Sciences and the Institute of Modern Physics of the Chinese Academy of Sciences and IOP Publishing Ltd ## 1 Introduction Organic liquid scintillator (LS) is widely used to detect reactor neutrinos [2, 3, 4, 5, 6] due to its high light yield and high hydrogen fraction. Liquid scintillator is made of a solvent and a small amount of fluor, and often with an additional tiny amount of wavelength shifter. For example, the Daya Bay undoped liquid scintillator consists of linear alkyl benzene (LAB) as the solvent, 3 g/L 2,5-diphenyloxazole (PPO) as the fluor, and 15 mg/L p-bis-(o-methylstyryl)-benzene (bis-MSB) as the wavelength shifter, while the gadolinium-doped LS has the same recipe but mixed with a Gd complex with 0.1% Gd in mass [7, 8]. The energy response of the liquid scintillator detector need be well understood for precision measurements in a reactor neutrino experiment. The light yield of the liquid scintillator, to which the visible energy of an event in the detector is proportional, is however temperature dependent because of the thermal quenching effects. Excited solvent molecules by ionization may undergo non-radiation transition when colliding with other molecules. Normally the light yield will increase at lower temperature, when the viscosity of the solvent rises thus collisions reduce. If quencher presents in the solution, the situation will be complex since the collisions may also impede the energy transfer from the exited solvent molecule to the quencher. The temperature dependence of the light yield has been studied for some liquid scintillators [9] but is still scanty in literature. In this study, we will study the temperature effects of the Daya Bay LS, which is based on the relative new solvent LAB, over a range from $-40\;^{\circ}$C to $26\;^{\circ}$C. As a comparison, LS with the same solute fractions but another solvent, mesitylene, is also measured. Such studies are of particular interests for the design of the next generation reactor neutrino experiments such as the Jiangmen Underground Neutrino Observatory (JUNO). To determine the neutrino mass hierarchy by precisely measuring the energy spectrum of the reactor neutrinos, JUNO detector requires a very high energy resolution of 3%/$\sqrt{E({\rm MeV})}$ [10]. Previous experiments reached (5-6)%/$\sqrt{E}$ [2, 6]. This unprecedent energy resolution requirement is a major challenge for JUNO. The increasing light yield of the LS at lower temperature provides an option to operate the detector at low temperature, e.g. at $\sim 4\;^{\circ}$C, right above the ice point of the buffer water shielding the neutrino detector. For this purpose, we also studied the light transmittance of the LS at low temperature. In this paper, the experimental setup, light yield measurement, correction for the temperature effects of the photomultiplier tube (PMT) are described in section 2. The transmittance is studied in section 3, followed by a conclusion and discussion. ## 2 Temperature dependence of the light yield ### 2.1 Experimental setup The light yield of the LS is measured via Compton scattering of $\gamma$ rays from a radioactive source. To improve the precision of the measurement, we tag the scattered $\gamma$s at a fixed direction. The coincidence of the recoil electron in the LS and the scattered $\gamma$ selects the events of known deposited energy in the LS, thus reduces the uncertainty of the light yield measurement to sub-percent level from $\sim$5% of the common method by fitting the Compton edge. Experimental setup for measuring the temperature dependence of the LS light yield. Figure 1 shows the scheme of the experimental setup. The LS sample is contained in a cylindric quartz glass vessel of 5 cm in diameter and 5 cm in height. The vessel is wrapped with Enhanced Specular Reflector (ESR) to increase the photon collection efficiency, and is coupled to a CR135 PMT. The scattered $\gamma$ is tagged by a coincidence detector, which is a plastic scintillator (PS) detector located about 10 cm from the LS at an angle of about $30^{\circ}$. The LS is irradiated by $\gamma$-rays from a 137Cs (15 $\mu$Ci) source. The source, the LS vessel, the CR135 PMT, and the coincidence detector are put in an enclosed thermostat with temperature adjustable from $-70\;^{\circ}$C to $155\;^{\circ}$C. The signals from the CR135 PMT and the coincidence detector are recorded by a CAEN DT5751 ADC unit with a self- trigger function. The relative light yield of the LS is determined by comparing the peak values measured by the ADC at different temperatures. To separate the temperature effects of the PMT from that of the LS, a temperature-resistant optical fibre is coupled to the photocathode of the CR135 PMT directly, transmitting light from an LED driven by a pulse generator. The LED is located in an incubator box operating at 25 ∘C, emitting light at 430 nm wavelength. The pulse generator is at room temperature, which is almost a constant during the measurement. The LED flashes at a frequency of 10 kHz during the LS light yield measurement and the data is triggered by the coincidence with the PS detector (noise). The probability of the LED signal overlapping with a Compton signal is found to be small enough. The LS sample is bubbled with nitrogen from the bottom of the vessel before measurement to remove oxygen and water in the LS. Oxygen is a quencher of the LS. The presence of oxygen reduces the light yield of the LAB-based Daya Bay LS by up to 11% [11], shortens the time constant of the scintillation [12], and may change the temperature effects of the LS. Normally the LAB-based LS contains tens ppm water. To avoid possible impacts on the light transmittance of the LS at low temperature, water is also removed by bubbling nitrogen. The LS sample is covered with nitrogen during the measurement. A temperature sensor is mounted on the LS vessel for monitoring. Data are taken only after the temperature has reached stable for more than 30 minutes. ### 2.2 Relative light yield of the LS Figure 2 shows an example of the ADC distribution of the measurement. The light yield of the LS and the light intensity of the LED are measured by the ADC peaks, which are fitted with Gaussian functions. The LED intensity is stable to 1% at constant temperature. The observed shift at different temperatures shows that the CR135 PMT response suffers from the temperature variation. Figure 3 (a) shows the relative light yield of the LAB-based LS before correcting for the PMT temperature effects. The measurements have been done three times by different people and with slightly different hardware. The data labelled ”Third” corresponds to this measurement and the other two were done before. The three measurements are in good agreement. The temperature response of the CR135 PMT monitored by the LED is shown in Figure 3 (b). ADC channel distribution of the LS events and the LED monitoring signal. (a) The relative light yield of the LAB-based LS before correcting for the PMT temperature effects, normalized at $26\;^{\circ}$C. (b) The temperature response of the CR135 PMT, normalized at $26\;^{\circ}$C. A similar measurement was done for the mesitylene-based LS. After correcting for the measured temperature response of the PMT shown in Figure 3 (b), the temperature dependence of the LS light yield are shown in figure 4. The light yield increases by 23% as the temperature decreases from $26\;^{\circ}$C to $-40\;^{\circ}$C for both liquid scintillators. The relative light yield of the LAB-based LS (LLS) and the mesitylene-based LS (MLS) after correcting for the PMT temperature effects, normalized at $26\;^{\circ}$C. The variation of the PMT response at difference temperature might be a combination of the variation of the PTM gain and the quantum efficiency changes of the PMT photocathode. The PMT gain decreases as the temperature increases because of the negative temperature coefficient of the dynodes [13]. Quantum efficiency of the PMT is typically 25% at 430 nm at room temperature for the CR135, which uses bialkali (SB-K-Cs) photocathode. The quantum efficiency of the bialkali has almost a constant temperature coefficient of -0.2%/∘C for photons of wavelength between 200 nm and 550 nm [14]. It will increase by 13% when the temperature is lowered from $26\;^{\circ}$C to $-40\;^{\circ}$C. Therefore, the quantum efficiency increase dominates the PMT temperature effects we have measured. In this measurement, The temperature stability of the temperature-resistant optical fibre is estimated to be 0.5% and the stability of the LED intensity is about 1%. ## 3 Temperature dependence of the light transmittance ### 3.1 Experimental setup For a large detector of $\sim$ 38 m diameter of JUNO, the light transmittance of the LS is equally important as the light yield. The temperature dependence of the light transmittance is measured with 430 nm wavelength light, over a range from $-40\;^{\circ}$C to $26\;^{\circ}$C. The scheme of the experimental setup is shown in Figure 5. The light source is a DH-2000 deuterium tungsten halogen lamp, followed by a monochromatic filter at 430 nm. The light transmits in a temperature-resistant fibre, passes the LS sample in a cuvette of dimension of 1 cm $\times$ 1 cm $\times$ 3 cm, and is received by an Ocean Optics QE65000 spectrophotometer. A temperature probe is attached to the cuvette to monitor the LS temperature. The spectrum of the light is shown in the bottom panel of figure 5, measured by the spectrophotometer. The relative transmittance can be obtained by continuously measuring the light intense as temperature varies. The surface of the cuvette may frost and bias the transmittance measurement when the temperature goes down. We observed such phenomenon that the transmittance started to drop dramatically at certain temperature (e.g. $-7\;^{\circ}$C for one of our measurements of LAB-based LS), although it is not visible on the surface of the cuvette by eye. After excluding the possible causes such as the crystallization of water content in the LAB, precipitation of scintillation fluor, and freezing of the solvent itself, we improved the experimental setup by sealing the LS cuvette in a transparent airtight box to against the frost. The box is flushed with dry nitrogen before the experiment to remove the vapor in the air, and maintain a small positive pressure with nitrogen. The nitrogen is released from the box through a bubbler to monitor the airtightness of the box. Top: Schematic view of the experimental setup for the light transmittance measurement. Bottom: The measured light spectrum after passing the monochromatic filter. ### 3.2 Relative transmittance of the LS Liquid scintillator exposed to air normally contains water of tens ppm. Water crystals could be formed in the LS and degrade the transmittance at low temperature. Water can be removed from the LS thoroughly by bubbling enough dry nitrogen. The nitrogen bubbling is also necessary to purge the oxygen in the LS. The water content in the LS can be measured to below 1 ppm with a 831KF Coulometric Moisture Analyzer. Table 1 shows the relationship between the remaining water content and the volume of nitrogen flushed. Three litres of nitrogen is needed to purge all the water in the cuvette. Relationship between the water content in the LS samples and the volume of nitrogen flushed. LS 0 L 1 L 3 L LLS00 0 $\sim$ 27 ppm 0 $\sim$ 16 ppm $\sim$ 0 ppm MLS00 0 $\sim$ 140 ppm 0 $\sim$ 70 ppm $\sim$ 0 ppm Figure 6 presents the result of the relative transmittance for the LAB-based and the mysitylene-based LS. We use the temperature instability of the system without LS in the cuvette as the systematic error of the measurement. For both the LAB-based and the mysitylene-based LS, transmittance stays stable when the temperature decreases from $26\;^{\circ}$C to $-40\;^{\circ}$C. The melting point of the LAB we used is below $-60\;^{\circ}$C and that of the mesitylene is $-44\;^{\circ}$C. Lowering the temperature to $-40\;^{\circ}$C will not cause a phase transition of the LS. Relative transmittance of the LAB-based LS (LLS) and the mysitylene-based LS (MLS) for light of 430 nm wavelength. ## 4 Conclusion and discussion The temperature dependence of the light yield and the transmittance of two liquid scintillators, LAB-based LS and mysitylene-based LS, have been measured. For both liquid scintillators, when the temperature is lowered from $26\;^{\circ}$C to $-40\;^{\circ}$C, the light yield increases by 23%, with the PMT effects corrected, and the transmittance remains stable. Frosting on the sample vessel at low temperature is observed to have significant impacts on the measurements. It is avoid by coupling the PMT to the sample vessel with silicone oil for the light yield measurement, or by putting the vessel in a nitrogen purged transparent box for the transmittance measurement. The light yield increase at low temperature provides an option for the next generation reactor neutrino experiments for neutrino mass hierarchy such as JUNO, which requires very high energy resolution. When using water as outer buffer, the operation temperature of the detector could be lowered to $\sim 4\;^{\circ}$C. As no apparent degradation on the liquid scintillator transparency was observed, lowering the operation temperature to $\sim 4\;^{\circ}$C from $26\;^{\circ}$C will increase the photoelectron yield of the detector by 13%, in which 9% is from the light yield of the LAB-based liquid scintillator and $\sim 4$% is from the quantum efficiency of the PMT with bialkali photocathode. Operating at even lower temperature, such $-40\;^{\circ}$C, will increase the photoelectron yield by 32%. But it is more difficult to realize and requires an oil buffer instead of a water buffer. ## References * [1] * [2] Eguchi K et al. (KamLAND collaboration), Phys. Rev. Lett., 2003, 90: 021802. * [3] An F P et al. (Daya Bay collaboration), Phys. Rev. Lett., 2012, 108: 171803; Chin. Phys. C, 2013, 37(1): 011001. * [4] Aberle C et al. Nucl. Phys. B (Proc. Suppl.),2012,229: 448. * [5] Park J S et al. Nucl. Instr. and Meth. A, 2013,707: 45. * [6] Alimonti G et al. (Borexino collaboration), Astropart. Phys., 2002, 16(3): 205. * [7] Ding Y Y et al., Nucl. Instr. and Meth. A, 2008, 584: 238. * [8] Ding Y Y et al., submitted to Nucl. Instr. and Meth. A. * [9] Buontempo S et al., Nucl. Instr. and Meth. A, 1999, 425: 492. * [10] Li Y F, Cao J, Wang Y F, and Zhan L, Phys. Rev. D, 2013, 88: 013008. * [11] XIAO H L et al., Chin. Phys. C, 2010, 34(05): 571. * [12] LI X B et al., Chin. Phys. C, 2011, 35(11): 1026. * [13] Moszynski M et al., Nucl. Instr. and Meth. A, 2006, 568: 739. * [14] Photomultiplier Tubes: Basics and Applications (Third Edition), Hamamatsu Photonics K.K., Japan (2006).
arxiv-papers
2014-02-27T11:49:37
2024-09-04T02:49:59.016432
{ "license": "Public Domain", "authors": "Xia DongMei and Yu BoXiang and Li XiaoBo and Sun XiLei and Ding YaYun\n and Zhou Li and Cao Jun and Hu Wei and Ye XingCheng and Chen HaiTao and Ding\n XueFeng and Du Bing", "submitter": "Xia Dongmei", "url": "https://arxiv.org/abs/1402.6871" }
1402.6903
# Three Experiments to Analyze the Nature of the Heat Spreader Seema Sethia1, Shouri Chatterjee2, Sunil Kale3, Amit Gupta4, Smruti R. Sarangi5 1,2 Department of Electrical Engineering, IIT Delhi 3,4 Department of Mechanical Engineering, IIT Delhi 5 Department of Computer Science and Engineering, IIT Delhi [email protected], {shouri@ee, srk@mech, agupta@mech, srsarangi@cse}.iitd.ac.in ###### Abstract In this paper, we describe ongoing work to investigate the properties of the heat spreader, and its implication on architecture research. In specific, we conduct two experiments to quantify the heat distribution across the surface of a spreader during normal operation. The first experiment uses T-type thermocouples, to find the temperature difference across different points on the spreader. We observe about 6∘C difference on average. In the second experiment, we try to capture the temperature gradients using an infrared camera. However, this experiment was inconclusive because of some practical constraints such as the low emissivity of the spreader. We conclude that to properly model the spreader, it is necessary to conduct detailed finite element simulations. We describe a method to accurately measure the thermal conductivity of the heat spreader such that it can be used to compute the steady state temperature distribution across the spreader. ## I Introduction An oft-ignored aspect of architecture level thermal modeling is the heat spreader. The heat spreader is typically a nickel coated copper plate placed between the die and the heat sink (see Figure 1). Its main role is to uniformly dissipate the heat generated by the die, and transmit the heat to the heat sink. The heat sink is a large fin based heat exchanger that is used to effectively dissipate the heat to the surrounding air. The heat spreader effectively “spreads out” the heat and reduces the severity and incidence of thermal hot spots. Given the fact that the heat spreader is nothing more than a metal plate, and does not have a lot of inherent complexity, it has not received a lot of attention by the architecture community. Some prior work such as [1, 2], have treated it as an isotherm (equal temperature at all points). We experimentally disprove this hypothesis in this paper. Skadron et. al. [3] treat the spreader as a mesh of points, where each point is a heat source and two adjacent points are connected by a thermal resistance in their widely available thermal modeling tool, HotSpot. However, there has been some recent criticism of the equivalent thermal circuit based approach adopted by HotSpot in [4, 5]. These works have reported a mean error of about 10% in HotSpot. Figure 1: The chip package We are currently working on developing a new temperature estimation tool. During the course of this work, we wish to look at the spreader from an experimental viewpoint. There are several reasons for our belief that the spreader warrants a more thorough study. (1) The conductivity of silicon is roughly 100 W/m-K [5], whereas the conductivity of the spreader is about 400 W/m-K. Consequently, the spreader is a far more efficient lateral conductor of heat than silicon especially at distances of the order of the dimensions of the die. This has important implications for floor planning, thermal management, and task allocation in multicores. For example, it is possible for a set of active cores to heat up a set of relatively quiescent cores by passing heat through the spreader. This will hurt the performance of the relatively inactive cores, as well as long term lifetime reliability. (2) We can use the spreader temperature data that we collect to calibrate temperature simulators. (3) We can measure some thermal properties of the spreader and use it to quantify the degradation of the material over time. We can use this empirical data to perform more accurate FEM simulations. Lastly, for Intel based chips that integrate the spreader with the die, it is not possible to study the temperature profile of the die independently. We need to infer its thermal profile by analyzing the temperature gradients on the spreader. We performed a simple thought experiment as follows. We consider a die with a large number of cores (128), and assumed that there is lateral heat conduction just through the spreader. We use typical parameters from the HotSpot tool (version 5.0) [3], and simulated a scenario in which each core dissipates enough power to increase the die temperature measured at the center by 20∘C . We now turn off a set of cores, and measure the effect that the active cores have on the inactive cores. We plot the average temperature rise of the inactive cores in Figure 3 as a fraction of the number of active cores. Figure 3 shows the normalized decrease in the MTTF (Mean Time to Failure) for three major failure mechanisms: Electro-migration, Thermal Cycling, and Stress Migration (see Srinivasan et. al. [6]). We observe that lateral heat conduction can have a significant impact on inactive cores. It can heat them up by 10 to 20∘C , and can decrease their MTTF by upto 10X. Figure 2: Mean temp. of the inactive cores | Figure 3: MTTF of the inactive cores ---|--- In this paper, we describe two approaches to measure the temperature distribution across the spreader during normal operation. We can use these numbers to calibrate temperature estimation tools. Lastly, we describe an approach to compute the thermal conductivity of the spreader such that it can be used to seed FEM simulations. ## II Experiments For all our experiments we use a 775 pin, 90 nm, Intel Pentium 4(Prescott) chip mounted on a Dell 00M075 Dimension 4300 Motherboard. It has a nominal frequency of 3.06GHz, 1MB L2 cache, and has two voltage steppings – 1.25 and 1.388V. We perform three experiments: 1. 1. Measure the temperature distribution on the surface of the heat spreader using thermocouples. 2. 2. Capture the temperature distribution with an infrared camera. 3. 3. Measure the thermal conductivity of the heat spreader using thermocouples for accurate steady state FEM simulation. ### II-A Design of Thermocouples A thermocouple consists of two wires made of different metals/alloys. At the point of contact with the target material an EMF(voltage differential) is generated between the two wires because of their differing thermal properties. This difference in voltage is typically proportional to the temperature of the target, and can be detected with a simple electronic circuit. Due to their simplicity and accuracy, they are commonly used to perform accurate temperature measurements. In our experiments we use 300 $\mu$m T-type thermocouples made of copper and constantan wires. They operate best in a temperature range between $\pm 200^{\circ}$C. To eliminate effects of corrosion and ageing, we used brand new wires. Secondly, to ensure good contact between the wires, we heat the tip of both wires such that they fuse together to make a strong junction. We connected the thermocouples to an Expert EX9018P data acquisition module. This is a sophisticated analog to digital converter that converts the thermocouple voltages to digital signals. It can process upto 8 thermocouple inputs. It has an internal multiplexer that chooses one of them. The final output is in the RS 485 serial bus format. We subsequently use an Advantech ADAM 4520 converter to convert the RS 485 signals to RS 232 signals that can directly be fed to the serial port of a standard PC. The ADAM 4520 chip also helps to isolate the PC from ground loops and destructive voltage spikes. We calibrated the thermocouples with distilled boiling water and ice. New Delhi is 216 meters above sea level. The boiling point at this altitude is 99.304∘C for a typical atmospheric pressure of 987.56 millibars. Figure 4: Experimental setup | Figure 5: Position of thermocouples on the spreader | Figure 6: Two attached thermocouples ---|---|--- ### II-B Experiment I - Thermocouple based Measurement In this experiment we place thermocouples at different ends of the integrated heat spreader. We mostly follow the reference procedure as described in the Intel Thermal Design Guidelines Document [7] (Appendix D). However, instead of applying the Kapton adhesive, we apply Halnziye HY 610 thermal paste to achieve the dual purpose of making the thermocouples stick to the spreader and provide good thermal conductivity for accurate measurement. This thermal paste has mild adhesive properties. Figure 6 shows our setup. Secondly, it was not necessary to drill holes through the heat sink since we do not connect the thermocouples at the center. We attach them to the middle of the four sides as shown in Figure 6. We define four positions on the spreader – TCT, TCL, TCB, and TCR. We allow the setup to reach steady state by having a gap of at least 10 minutes between different measurements. To further minimize the error, it is necessary to repeat each experiment by interchanging the thermocouples. This cancels out all sources of linear error. Each such experiment set is repeated 10 times. We report the mean values. Because of mechanical constraints, we were not able to attach more than two thermocouples at the same time (see Figure 6). We also report the CPU power as measured by the Windows CPUID utility. This is the temperature at the center of the die [7]. As a benchmark, we use a simple script that repeatedly performs calculations using the standard Windows calculator application. | Left-Bottom (TCB and TCL) | Right-Top(TCR and TCT) | Top-Bottom(TCT and TCB) | Left-Right(TCL and TCR) ---|---|---|---|--- Operation | CPU | TCB | (TCB | CPU | TCT | (TCT | CPU | TCT | (TCT | CPU | TCR | (TCR | (∘C) | (∘C) | -TCL)(∘C) | (∘C) | (∘C) | -TCR)(∘C) | (∘C) | (∘C) | -TCB)(∘C) | (∘C) | (∘C) | -TCL)(∘C) Power Off | | 23.90 | 0.15 | | 20.90 | 0.50 | | 24.75 | 0.25 | | 25.80 | 0.40 10 mins later | 57.5 | 39.85 | 4.05 | 52.0 | 35.95 | 3.10 | 52.5 | 39.65 | 7 | 43.5 | 33.50 | 1.35 10 mins after | 89.0 | 58.50 | 6.80 | 90.0 | 55.80 | 6.35 | 88.0 | 62.55 | 14.35 | 74.5 | 56.05 | -1.15 calculator on | | | | | | | | | | | | 10 mins after | 58.5 | 41.25 | 4.20 | 51.5 | 37.85 | 4.45 | 53.5 | 41.40 | 9.85 | 43.5 | 33.45 | 2.00 calculator off | | | | | | | | | | | | TABLE I: Temperatures of Points on the Surface of the Heat Spreader Table I shows the collected data at four time instants – power off, 10 minutes later, 10 minutes after starting the benchmark, and 10 minutes after shutting it down. We report four sets of readings. The die temperature varies from 51∘C to 89∘C . The spreader temperature at the hottest point (TCT) varies from 21∘C to 62.55∘C . As a sanity check we correlate the temperature values with the layout of the Pentium 4 processor [8]. TCT is close to the scheduler and trace-cache. In comparison TCB is the coolest because it abuts the L2 cache. TCL and TCR are closest to the fetch/decode logic, and floating point units respectively. They show a moderate amount of activity for our benchmark. The main take-away point in this experiment is that a large temperature variation exists across the surface of the spreader. For example, the difference between TCT and TCB reaches 14.35∘C . The values at TCT and TCL differ by about 7∘C , and both TCR and TCL are warmer than TCB by about 6∘C . This experiment gives us an indication of the degree of the temperature gradients on the surface of the spreader. However, to get a more exact picture, we need to do a more intrusive experiment. ### II-C Experiment II - IR Camera based Measurement To get accurate and extensive temperature profiles, we decided to use an IR camera that can produce a detailed temperature profile of the surface of the spreader. A similar approach has been used by Martinez et. al. [9] to capture the temperature profile of a die. The authors in this paper collect their data by removing the spreader and heat sink. They use an IR transparent oil based heat sink instead. Note that it is necessary to use some heat removal mechanism. Otherwise, the temperature of the die will increase to unacceptable levels, and the processor will shut itself down. We are planning to create such kind of a setup in the future. However, we observe that in such a setup we will not get an accurate picture of the temperature dissipation of a die and the thermal profile of the spreader because the nature of heat transfer is different. The latest version of the popular thermal modeling tool HotSpot 5 takes this into cognizance. Additionally, secondary heat transfer paths, especially through the ball grid arrays, become important in this case. We unsuccessfully try another approach. Our intuition was to remove the heat sink during regular operation and quickly take an IR photograph of the die. There will be an intermittent delay of less than a few seconds. However, we hoped to possibly compensate for the error by trying to back calculate the original temperature profile using standard results for radiative and convective heat transfer. We use a Testo 875, 9 Hz IR camera for this purpose. We initially underestimate the temperature of the spreader greatly. This is possibly because of the low emissivity of the heat spreader. Consequently, to increase the emissivity of the spreader, we coat it with Halnziye HY 610 thermal paste that has an emissivity of 0.95. The temperature values increase by about 15∘C . The average temperature difference is about 10∘C across the die. However, our original aim of getting a detailed temperature profile was still not served because the thermal image was heavily dependent on the uniformity of the thermal paste. As shown in Figure 7 some of the hottest(darkest) regions are towards TCB (L2 cache). This is not expected to be the case. Figure 7: IR Photograph Figure 8: Measurement of thermal conductance | Figure 9: The full measurement setup ---|--- ### II-D Experiment III - Measuring Thermal Conductivity We observe that Experiment II was inconclusive. It only reaffirmed the fact that a temperature differential exists across the spreader. To get a better picture, we are in the process of setting up a detailed FEM simulation framework that will be seeded by parameters obtained from our experiments. We describe a method to calculate the thermal conductivity of the spreader material (nickel coated copper plate). The thermal conductivity of a material is defined as the power that flows across a temperature gradient of 1∘C in an object that has unit length and unit cross-sectional area. Conceptually, it is similar to electrical conductivity, and can be used to find the steady state distribution of temperature. We use the comparative method. This method proposes to place the unknown sample (sliver of the spreader material) between two samples (copper wires) with known thermal conductivity. Both the ends of this ensemble are set to constant temperatures by dipping them in ice and boiling water respectively. The thermal conductivities are related by the following equation. $\frac{\kappa_{c}\Delta T_{w1}A_{w1}}{L_{w1}}=\frac{\kappa_{sp}\Delta T_{sp}A_{sp}}{L_{sp}}=\frac{\kappa_{c}\Delta T_{w2}A_{w2}}{L_{w2}}$ (1) Here, $\kappa_{c}$ is the thermal conductivity of copper (400 W/m-K), and $\kappa_{sp}$ is the unknown thermal conductivity of the spreader. $w_{1}$ refers to copper wire 1, $w_{2}$ refers to copper wire 2, $sp$ refers to the spreader sample, $A$ represents the cross-sectional area, and $L$ represents the length of the wire. The temperature gradient, $\Delta T$, is measured using thermocouples. The intuition behind this equation is that there is a constant amount of heat flow in the assembly of wires. Note that Equation 1 is over-constrained. We create two sets of equations – (1) between the spreader and wire 1, and (2) between the spreader and wire 2. We solve them separately and report the mean value of thermal conductivity. Figure 9 shows the measurement setup with the two copper wires, spreader sample, and six thermocouples. Each adjacent pair of thermocouples measures the temperature difference across a homogeneous section of material. Note that Equation 1 can be used only when there is exclusively conductive heat transfer through the ensemble. We need to reduce convective and radiative heat transfer to the maximum extent possible. Consequently, we covered the setup with thermally insulating glass wool. Lastly, we set the reference temperature at both ends using boiling water and ice respectively. The entire setup is shown in Figure 9. We allowed upto 4-5 hours for the readings to stabilize. The experimental procedure (10 repetitions, thermocouple interchange) is the same as that mentioned in Section II-B. We obtain a thermal conductivity value of 369 W/m-K ($\pm 0.5$∘C ). For reference, the thermal conductivity of copper is 400 W/m-K, and the thermal conductivity of nickel is 90.9 W/m-K. ## III Conclusion and Future Work In the course of this work, we get an in-vivo estimate of the nature of temperature gradients on the surface of the heat spreader. We would like to extend our work to make more detailed and elaborate measurements. In specific, we would like to drill very fine holes (diameter less than 100 nm) on the heat sink and measure the temperatures at the center of the spreader also. Lastly, using empirical data collected from our studies, we wish to correlate our measurements with FEM based simulations. The final goal is four fold – (1) Create a corpus of empirically measured temperature data, (2) Propose accurate temperature simulation methodologies for semi-conductor packages, and (3) Design new packaging technologies that are more thermally efficient, and lastly (4) Come up with new architectures that can leverage these advances in novel packaging technologies. ## References * [1] S. R. Sarangi, B. Greskamp, A. Tiwari, and J. Torrellas, “Eval: Utilizing processors with variation-induced timing errors,” in _MICRO_ , 2008, pp. 423–434. * [2] J. Srinivasan and S. Adve, “The importance of heat-sink modeling for dtm and a correction to predictive dtm for multimedia applications,” in _Proceedings of the Fourth Annual Workshop on Duplicating, Deconstructing, and Debunking (WDDD) at ISCA-05_ , 2005. * [3] K. Skadron, M. R. Stan, W. Huang, S. Velusamy, K. Sankaranarayanan, and D. Tarjan, “Temperature-aware microarchitecture,” in _ISCA_ , 2003, pp. 2–13. * [4] V. Heriz, J.-H. Park, T. Kemper, S.-M. Kang, and A. Shakouri, “Method of images for the fast calculation of temperature distributions in packaged vlsi chips,” in _Thermal Investigation of ICs and Systems, 2007. THERMINIC 2007\. 13th International Workshop on_ , sept. 2007, pp. 18 –25. * [5] A. Ziabari, E. Ardestani, J. Renau, and A. Shakouri, “Fast thermal simulators for architecture level integrated circuit design,” in _SemiTherm_ , 2011\. * [6] J. Srinivasan, S. V. Adve, P. Bose, and J. A. Rivers, “The case for lifetime reliability-aware microprocessors,” in _ISCA_ , 2004, pp. 276–287. * [7] “Intel pentium 4 processor on 90nm process in the 775-land lga package: Thermal and mechanical design guidelines,” Intel, Tech. Rep. 302553-004, Nov 2005\. * [8] H. de Vries, “Looking at Intel Prescott die, Part II,” http://chip-architect.com/news/2003_04_20_Looking_at_Intels_Prescott_part2.%html, accessed on September 17th, 2012. * [9] F. J. Mesa-Martinez, J. Nayfach-Battilana, and J. Renau, “Power model validation through thermal measurements,” in _Proceedings of the 34th annual international symposium on Computer architecture_ , ser. ISCA ’07. New York, NY, USA: ACM, 2007, pp. 302–311.
arxiv-papers
2014-02-27T13:45:16
2024-09-04T02:49:59.022128
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Seema Sethia, Shouri Chatterjee, Sunil Kale, Amit Gupta, Smruti R.\n Sarangi", "submitter": "Smruti Ranjan Sarangi", "url": "https://arxiv.org/abs/1402.6903" }
1402.7024
# The VST Photometric H$\alpha$ Survey of the Southern Galactic Plane and Bulge (VPHAS+) J. E. Drew1, E. Gonzalez-Solares2, R. Greimel3, M. J. Irwin2, A. Kupcu Yoldas2, J. Lewis2, G. Barentsen1, J. Eislöffel4, H. J. Farnhill1, W. E. Martin1, J. R. Walsh5, N. A. Walton2, M. Mohr-Smith1, R. Raddi6, S. E. Sale7, N. J. Wright1, P. Groot8, M. J. Barlow9, R. L. M. Corradi10, J. J. Drake11, J. Fabregat12, D. J. Frew13, B. T. Gänsicke6, C. Knigge14, A. Mampaso10, R. A. H. Morris15, T. Naylor16, Q. A. Parker13, S. Phillipps14, C. Ruhland1, D. Steeghs6, Y.C. Unruh17, J. S. Vink18, R. Wesson19, A. A. Zijlstra20 1School of Physics, Astronomy & Mathematics, University of Hertfordshire, College Lane, Hatfield, Hertfordshire, AL10 9AB, U.K. 2Institute of Astronomy, Cambridge University, Madingley Road, Cambridge, CB3 OHA, U.K. 3IGAM, Institute of Physics, University of Graz, Universitätsplatz 5, Graz, Austria 4Thüringer Landessternwarte, Sternwarte 5, 07778, Tautenburg, Germany 5ESO Headquarters, Karl-Schwarzschild-Strasse 2, 85748 Garching, Germany 6Department of Physics, University of Warwick, Gibbet Hill Road, Coventry, CV4 7AL, U.K¿ 7Rudolf Peierls Centre for Theoretical Physics, Keble Road, Oxford, OX1 3NP 8Afdeling Sterrenkunde, Radboud Universiteit Nijmegen, Faculteit NWI, Postbus 9010, 6500 GL Nijmegen, The Netherlands 9University College London, Department of Physics & Astronomy, Gower Street, London WC1E 6BT, U.K. 10 Instituto de Astrofisica de Canarias, 38200 La Laguna, Tenerife, Spain 11Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138, U.S.A. 12Observatorio Astrónomico, Universidad de Valencia, Catedrático José Beltrán 2, 46980 Paterna, Spain 13Department of Physics & Astronomy, Macquarie University, NSW 2109, Australia 14School of Physics & Astronomy, University of Southampton, Southampton, SO17 1BJ, U.K. 15School of Physics, Bristol University, Tyndall Avenue, Bristol, BS8 1TL, U.K. 16School of Physics, University of Exeter, Stocker Road, Exeter, EX4 4QL, U.K. 17Department of Physics, Blackett Laboratory, Imperial College London, Prince Consort Road, London, SW7 2AZ, U.K. 18Armagh Observatory, College Hill, Armagh, Northern Ireland, BT61 9DG, U.K. 19European Southern Observatory, Alonso de Córdova 3107, Casilla 19001, Santiago, Chile 20Jodrell Bank Centre for Astrophysics, School of Physics & Astronomy, University of Manchester, Oxford Road, Manchester M13 9PL, U.K. ###### Abstract The VST Photometric H$\alpha$ Survey of the Southern Galactic Plane and Bulge (VPHAS$+$) is surveying the southern Milky Way in $u,g,r,i$ and H$\alpha$ at $\sim$1 arcsec angular resolution. Its footprint spans the Galactic latitude range $-5^{\rm o}<b<+5^{\rm o}$ at all longitudes south of the celestial equator. Extensions around the Galactic Centre to Galactic latitudes $\pm 10^{\circ}$ bring in much of the Galactic Bulge. This ESO public survey, begun on 28th December 2011, reaches down to $\sim$20th magnitude (10$\sigma$) and will provide single-epoch digital optical photometry for $\sim$300 million stars. The observing strategy and data pipelining is described, and an appraisal of the segmented narrowband $H\alpha$ filter in use is presented. Using model atmospheres and library spectra, we compute main-sequence $(u-g)$, $(g-r)$, $(r-i)$ and $(r-H\alpha)$ stellar colours in the Vega system. We report on a preliminary validation of the photometry using test data obtained from two pointings overlapping the Sloan Digital Sky Survey. An example of the $(u-g,g-r)$ and $(r-H\alpha,r-i)$ diagrams for a full VPHAS+ survey field is given. Attention is drawn to the opportunities for studies of compact nebulae and nebular morphologies that arise from the image quality being achieved. The value of the $u$ band as the means to identify planetary-nebula central stars is demonstrated by the discovery of the central star of NGC 2899 in survey data. Thanks to its excellent imaging performance, the VST/OmegaCam combination used by this survey is a perfect vehicle for automated searches for reddened early-type stars, and will allow the discovery and analysis of compact binaries, white dwarfs and transient sources. ###### keywords: surveys – stars: emission line – Galaxy: stellar content ## 1 Introduction The $H\alpha$ emission line is well-known as a tracer of diffuse ionized nebulae and as a marker of pre- or post-main sequence status among spatially- unresolved stellar sources. Since these objects – both nebulae and stars – represent relatively short-lived phases of evolution, they amount to a minority population in a mature galaxy like our own. Their relative scarcity has in the past stood in the way of developing and testing models for these crucial evolutionary stages. In the southern hemisphere, the search for planetary nebulae (PNe) has been served well by H$\alpha$ imaging surveys carried out by the UK Schmidt Telescope (Parker et al 2005, 2006 and other more recent works). Nevertheless, VPHAS+ will have a decisive impact on studies of complex or smaller nebulae of all types, ranging from optically-detectable ultra-compact and compact HII regions, to nebulae around YSOs (including associated jets and HH objects), through PNe, to extended emission from D-type symbiotic stars and supernova remnants. The superb spatial resolution, dynamic range, and likely photometric accuracy of the VPHAS+ images warrant a step forward in our knowledge of the population and detailed characteristics of these object classes. For southern point sources with emission the situation is very different: there has been little updating of the available catalogues since the work of Stephenson & Sanduleak (1971) that was limited to a depth of 12th magnitude. The major groups of emission line stars that remain as challenges to our understanding include all types of massive star (O stars, supergiants, luminous blue variables, Wolf-Rayet stars, various types of Be star), post-AGB stars, pre-main-sequence stars at all masses, active stars and compact interacting binaries. Within the disc of the Milky Way, the available samples of these objects are typically modest and heterogeneous. Fixing this deficit via a uniform search of the Galactic Plane for these rare object classes motivated the photometric H$\alpha$ survey of the southern Galactic Plane, first proposed for the VLT Survey Telescope (VST) in 2004. This paper describes the realisation of this ESO public survey, now known as the VST Photometric H$\alpha$ Survey of the Southern Galactic Plane and Bulge (VPHAS+). When first proposed, VPHAS (without the plus sign) was envisaged as the counterpart to the INT/WFC Photometric H$\alpha$ Survey of the Northern Galactic Plane (IPHAS, Drew et al 2005), that had begun in August 2003. IPHAS is a digital imaging survey made up of Sloan $r$, $i$ and narrowband $H\alpha$ exposures, reaching to $\sim$20th magnitude, that takes in all Galactic longitudes north of the celestial equator in the latitude range $-5^{\circ}<b<+5^{\circ}$. This is all but complete with the new release of a catalogue of $\sim$200 million unique objects drawn from 93 percent of the survey’s footprint (Barentsen et al, 2014). During the initial VST public survey review process, it was agreed that VPHAS should broaden in scope to also incorporate the Sloan $u$ and $g$ bands (proposed for a separate survey), that are particularly useful in picking out OB stars, white dwarfs and other blue-excess objects. With this upgrade to 5 bands, the renamed VPHAS$+$ became an all-purpose digital optical survey of the southern Galactic Plane, capable of delivering data at a spatial resolution of $\sim$1 arcsec or better. As well as fulfilling the role of southern counterpart of IPHAS, VPHAS$+$ is also the counterpart to UVEX, the UV-Excess Survey of the Northern Galactic Plane (Groot et al, 2009) that, at the time of writing, continues on the Isaac Newton Telescope in La Palma. The final augmentation of the VPHAS$+$ survey footprint came in 2010 on expanding its footprint to match that of the similarly high spatial-resolution near-infrared survey, VISTA Variables in the Via Lactea (VVV, Minniti et al 2011). The survey footprint now includes the Galactic Bulge to a latitude of $|b|<10^{\circ}$, across the longitude range $-10^{\circ}<\ell<+10^{\circ}$. The VVV $z$, $Y$, $J$, $H$ and $K_{s}$ survey of much of the Bulge and inner Galactic disc is already complete. VPHAS$+$ is poised to become the homogeneous digital optical imaging survey of the Galactic Plane and Bulge, at $\sim$1 arcsec angular resolution, that will provide a uniform database of stellar spectral energy distributions, from which a range of colour-magnitude and colour-colour diagrams of well- established utility can be derived. Once calibrated to the expected precision of 2 to 3 percent, like its northern counterparts, VPHAS$+$ will be quantitatively far superior to the photographic surveys of the last century, and will offer significant added value in the form of calibrated narrowband H$\alpha$ data. Some of the science enabled is illustrated by the studies that the northern surveys, IPHAS and UVEX, have already stimulated. These have included a number of works reporting the discovery of emission line stars, ranging from young objects (e.g. Valdivieso et al, 2009, Vink et al 2008, Barentsen et al 2011, Raddi et al 2013) to evolved object classes such as symbiotic and cataclysmic binaries and compact planetary nebulae (e.g. Corradi et al 2010, Witham et al 2006, Viironen et al 2009 and Wesson et al 2008). The diagnostic power to be expected from the blue $u$ and $g$ bands has been appraised in a series of papers presenting UVEX and early follow-up spectroscopy (Groot et al 2009, Verbeek et al 2012a and 2012b). Figure 1: The VPHAS$+$ survey footprint plotted in Galactic coordinates. All 2269 fields are shown in outline. Different colours, as specified in the key, are used to identify the observations obtained for each field by 1st January 2014 – essentially 2 years after the start of data-taking. Any comprehensive survey of the Galactic Plane clearly targets the main mass component of our own Galaxy, made up of stars, gas and dust. When a spatial resolution of 1 arcsec is combined with wide area coverage spanning 100s of square degrees, as in IPHAS, UVEX and VPHAS$+$, it becomes possible to exploit the stellar photometry adaptively to solve for the distribution of both the stars and dust making up the optically-accessible Galactic disk - by means that are similar to those already attempted, based on the near-infrared 2MASS survey (Drimmel & Spergel 2001, Marshall et al 2006). Methods to achieve 3-dimensional mapping of this kind, now incorporating the direct sensitivity of the H$\alpha$ narrowband to stellar intrinsic colour, are starting to take shape (Sale et al 2009; Sale 2012). This development coincides with the approach of the operations phase of Europe’s next major astrometric mission, Gaia. Indeed, the rich dynamical picture that Gaia will build of the Milky Way over the next decade will be very effectively complemented by stellar energy distributions measured for millions of stars from the current generation of ground-based optical, and near-infrared, wide-field surveys. VPHAS$+$, with its haul of photometry in 5 optical bands on $\sim$300 million objects, is set to take its place as one of them. This paper presents the main features of VPHAS$+$, including a description of its execution, the data processing and the nature of the photometric colour information it provides. We begin in the next section with a presentation of the observing strategy and the data reduction techniques in use. We then turn to a description and evaluation of the narrowband H$\alpha$ filter procured for this survey, in section 3. Following this, in section 4, we present tailored synthetic photometry of main sequence and giant stars that provides insights into the photometric diagrams that may be generated from survey data. An exercise in photometric validation is described in Section 5 in which Sloan Digital Sky Survey (SDSS) data are compared with VST observations. The scene is then set for an example of VPHAS+ photometry extracted across the entire square-degree footprint of a single survey field (Section 6). In Sections 7 and 8, we outline the applications of VPHAS$+$ to spatially-resolved nebular astrophysics and in the time domain. The paper ends in Section 9 with a summary, examples of early survey exploitation, and a forward look to the first major data release. ## 2 Survey observations and data processing ### 2.1 VPHAS$+$ specification The footprint of the survey is shown in figure 1. The OmegaCAM imager (Kuijken 2011) on the VST provides a field size of a full square degree, captured on a 4 x 8 CCD mosaic. After allowing for some modest overlap between adjacent fields, we arrived at a set of 2269 field centres that will cover the desired Galactic latitude band $-5^{\circ}<b<+5^{\circ}$ at all southern-hemisphere Galactic longitudes, as well as incorporate the Galactic Bulge extensions to $-10^{\circ}<b<+10^{\circ}$ near the Galactic Centre. The survey footprint extends across the celestial equator by a degree or two to achieve an overlap with the northern hemisphere surveys IPHAS and UVEX of $\sim$100 sq.deg. altogether. This is to create the opportunity for some direct photometric cross-calibration. The target depth of the survey is to reach to at least $\sim$20th magnitude, at 10$\sigma$, in each of the Sloan $u$, $g$, $r$ and $i$ broadband filters and narrowband H$\alpha$. The bright limit consistent with this goal is typically 12–13th magnitude. Presently, all VPHAS+ photometric magnitudes are expressed in the Vega system. The original concept was to collect the data in all 5 bands contemporaneously, in order to build a uniform library of snapshot photometric spectral energy distributions for 200 million or more stars. Practical constraints have modified this to the extent that the blue filters ($u$, $g$) are observed separately from the reddest ($i$ and $H\alpha$), with the $r$ band serving as a linking reference that is observed both with $u$,$g$ and $i$,$H\alpha$. The aim is also to keep the spatial resolution close to 1 arcsecond. OmegaCAM and the Paranal site are well suited to this in that the camera pixel size is 0.21 arcsec, projected on sky, and the median seeing achieved is better than 1 arcsec (on occasion falling to as little as 0.6 arcsec). As a means to obtaining better quality control, and to ensure that only a minimal fraction of the survey footprint is missed due to the pattern of gaps between the CCDs in the camera mosaic, every field is imaged at 2 or 3 offset pointings. This strategy has been carried over from IPHAS and UVEX in the northern hemisphere, and has the consequence that the majority of imaged objects will be detected twice some minutes apart. In the $r$ band, there will be two arbitrarily-separated epochs of data, with typically two detections at each of them (i.e. 4 altogether). ### 2.2 VPHAS$+$ observations The VST is a service-observing facility, with all programmes queued for execution as and when the ambient conditions meet programme requirements. VPHAS+ survey field acquisition began on 28th December 2011. Normally the constraint set includes a seeing upper bound of 1.2 arcsec: this is only set at a lower, more stringent value for fields expected to present a particularly high density of sources (e.g. in the southern Bulge). In order that the seeing achieved in the $u$ band is not greatly different from that in $i$ at the opposite end of the optical range, it is advantageous to separate acquisition of blue data from red – hence a split between ’blue’ ($u$,$g$,$r$) and ’red’ ($H\alpha$,$r$,$i$) observing blocks has been implemented. This split also permits the use of different moon distance and phase constraints, such that blue data are obtained when the moon is less than half full at an angular separation of not less than 60 degrees, while the limits for red data are set at 0.7 moon illumination and a minimum angle of 50 degrees. Avoiding bright- moon conditions is important in order to limit the amount of moonlight mixed in with diffuse H$\alpha$ emission in the reduced images. No requirement has been placed on the time elapsing between acquisition of blue and red data. However, the more forgiving constraints on the acquisition of the latter has meant that these are typically executed sooner than the former, with the result that many more fields have red data already than have blue (see fig 1). In all cases, the final constraint is that the sky is required to be clear, if not necessarily fully photometric. An impressive feature of the camera, OmegaCAM, is its potential to deliver remarkably undistorted point-source images all the way across the 1-degree field of view. To realise this, it is critical that the VST has an actively- controlled primary. The operational price for this, at the present time, is that image analysis and correction has to be carried out at every filter change or after longer slews. The overhead added by this is about 3 minutes. To reduce the impact of this, observations of sets of 3 neighbouring fields are scheduled together, so that image analysis need only take place every 15-30 minutes – not much more often than would be essential, in any case, to compensate for the telescope’s tracking movement. As a result, ’contemporaneous’ in the context of VPHAS+ data-taking means that all 3 blue, or red, filters are typically exposed within 40-50 minutes of each other (cf. IPHAS, where the more compact camera allows much faster operation, bringing this elapsed time down to under 10 minutes). However, the time difference between the blue and red observing blocks for a given field, i.e. the $u$/$g$/$r$ data collection and $H\alpha$/$r$/$i$ data collection, can be anything from a few hours to more than a year. Figure 2: The transmission profiles of the Sloan $u$, $g$, $r$ and $i$, and narrowband $H\alpha$ filters used in all VPHAS$+$ observations. The $r$ and $H\alpha$ profiles are shown as a dashed line and in red respectively just to clearly distinguish them from each other and the $i$ band. Each profile has been multiplied by the CCD response function and a model of atmospheric throughput (Patat et al 2011). The very-nearly grey losses due to the telescope optics (a further scaling of approximately 0.6) have not been folded in. Figure 3: An illustration of the VPHAS$+$ offset pattern as it applies to the segmented H$\alpha$ filter with extra vignetting due to the T bars separating the 4 segments. The first pointing is to lower right, as drawn – a conservative estimate of the exposed unvignetted area is shown in black. The exposed/unvignetted areas of the second and third pointings are shown in green and blue respectively. The vertical and horzontal scales are numbered in pixels (RA increasing to the right, declination increasing upwards). We provide a reminder of the passbands of the Sloan broadband filters in use, along with that of the narrowband H$\alpha$, in fig 2. They are shown scaled by a typical CCD response function and a model of the atmospheric transmission (Patat et al 2011). The exposure times used for the different filters, the number of exposures in each and the median seeing achieved, up to December 2013, are set out in Table 1. From early on, during the commissioning phase of the telescope, it became clear that tracking is usually good enough that even the 150 sec $u$ exposures, our longest, do not have to be guided in most circumstances. Indeed, experience is showing that it is safer to rely on the tracking, rather than the autoguider, to maintain good image quality in the most dense star fields. Table 1: Observations obtained per survey field. The median seeing quoted is derived from data in hand by December 2013. Filter | Exposure | No. of | median seeing ---|---|---|--- | time (secs) | offsets | (arcsec) Blue observation blocks $u$ | 150 | 2 | 1.01 $g$ | 40111Up to 19th February 2013, $g$ exposure times were 30 sec. | 3 | 0.88 $r$ | 25 | 2 | 0.80 Red observation blocks $H\alpha$ | 120 | 3 | 0.84 $r$ | 25 | 2 | 0.82 $i$ | 25 | 2 | 0.77 The pattern of offsets used for each field is illustrated in fig 3. The shifts are relatively large, with the outer pointings differing by $-$588 arcsec in the RA direction and $+$660 arcsec in declination. The choices made have largely been driven by the characteristics of the narrowband H$\alpha$ filter (discussed below in section 3), but they also convey the advantage of greatly increasing the overlaps between neighbouring fields. Just the two outermost pointings are used when exposing the $u$, $r$ and $i$ filters. This leaves 0.4% of the survey footprint unexposed. This changes to complete coverage on including the third intermediate offset, as is the policy for the $H\alpha$ and $g$ filters. In accordance with ESO’s standard procedures, data are evaluated soon after collection by Paranal staff and graded before transfer to the archive in Garching and to the Cambridge Astronomy Survey Unit (CASU) in Cambridge. If the applied constraints are significantly violated, the observation block is returned to the queue. ### 2.3 Data pipeline #### 2.3.1 Initial Processing Figure 4: Flowchart identifying the main VST data processing steps. At the present time all steps up to the reduced single-band catalogue are undertaken at CASU. Band merging is performed at the University of Hertfordshire. From February 29th 2012 raw VST data have been routinely transferred from Paranal to Garching over the Internet. For each observation the imaging data are stored in a Multi-Extension FITS file (MEF) with a primary header describing the overall characteristics of the observation (pointing, filter, exposure time, etc.) and thirty two image extensions, corresponding to each of the CCD detectors, with further detector-level information in the secondary headers. The 32-bit integer raw data files are Rice-compressed at source using lossless compression (e.g. Sabbey 1998). The files are then checked and ingested into the ESO raw data archive in Garching. As soon as the data for any given night become available they are automatically transferred to the Cambridge Astronomy Survey Unit (CASU) for further checks and subsequent processing. The VST web pages at CASU provide an external interface for both monitoring processing status (http://casu.ast.cam.ac.uk/vst/data-processing/) and overall survey progress and access (http://casu.ast.cam.ac.uk/vstsp/). The processing sequence is similar to that used for the IPHAS survey of the northern Galactic Plane (e.g. Gonzalez-Solares et al 2008), while the higher level control software is based on that developed for the VISTA Data Flow System (VDFS, Irwin et al 2004). Here we briefly outline the processing steps illustrated in figure 4, emphasising the main differences relative to the current VDFS standard. A more detailed description of the VST processing pipeline is currently in preparation (Yoldas et al 2014). Science images are first debiassed. Full two-dimensional bias removal is necessary due to amplifier glow during readout being present in some detectors. The master bias frames are updated daily from calibration files taken as part of the operational cycle. The OmegaCAM detectors are linear to better than 1% over their usable dynamic range removing the need for a linearity correction. Hence this stage in the pipeline processing (figure 4), although part of the pipeline architecture, is currently bypassed. Flatfield images in each band are constructed by combining a series of twilight sky flats obtained in bright sky conditions. The timescale to obtain sequences of these for all deployed filters is typically one to two weeks. So as to adequately trace the variations in the pattern and level of scattered light in these flats, the master flats derived from them are updated on a monthly cycle (how these are corrected for scattered light is described in Section 2.3.3). Four of the detectors, in extensions 29–32, suffer from inter- detector cross-talk, whereby saturated bright stars in one detector can cause noticeable positive or negative low level ($\approx$0.1%) ghost objects in adjacent detectors. The impact of these is minimised in the pipeline by applying a pre-tabulated cross-talk correction matrix to each of the affected images. The flatfield sequences plus bad pixel masks are used to generate the confidence (weight) maps (e.g. Irwin et al 2004) used later during catalogue generation and any subsequent image stacking or large area mosaicing. After flatfielding, science images generally have well behaved sky backgrounds which makes subsequent image processing straightforward. Where direct scattered light is present in them, it is an additive phenomenon that is dealt with automatically during object catalogue generation. Figure 5: The left-hand panel shows an example of the deduced scattered light component present in June 2013 $r$-band data. The right-hand panel shows the corrected outcome. These maps were constructed using 286318 APASS object matches over the square-degree field. Before correction scattered light gradients amounting to a 20 to 25 percent variation from corners to centre are present. This flattens to around $\pm$2 percent. The redder passbands used in VST observations, in this case the $i$-band, show fringing patterns at $\approx$2% of the sky background level. Defringing is done using a standard CASU procedure (Irwin & Lewis 2001). The fringe frames used are derived from other VST public survey data taken as close as possible in time at higher Galactic latitude. This approach works because the fringe pattern induced by sky emission lines at Paranal is quite stable over long periods. The fringe frames are automatically scaled and subtracted from each science image reducing the residual fringing level to well below the sky noise. Catalogue generation is based on IMCORE222Software publicly available from http://casu.ast.cam.ac.uk (Irwin, 1985) and makes direct use of the confidence maps, derived from the flat fields, to suitably weight down unreliable parts of the images. This step includes object detection, parameterization and morphological classification, together with generation of a range of quality control information. Because of the extensive presence of diffuse emission throughout the southern Galactic Plane, particularly in H$\alpha$, a version of each affected image is cleaned of nebulosity using the NEBULISER333Software publicly available from http://casu.ast.cam.ac.uk, see also Irwin (2010) for the purpose of catalogue generation only. This achieves a more careful removal of background and ultimately leads to more complete and, on average, more faithful object detection than in the absence of this step. With object catalogues available for every VPHAS+ survey image, it is then possible to improve the rough World Coordinate System (WCS) based on the telescope pointing and general system characteristics. The WCS is progressively refined using matches between detected objects and the 2MASS catalogue (Skrutskie et al 2006). Despite the large field of view, the VST focal plane is almost free of distortion, and a standard tangent plane projection yields residual systematics of $\sim$25mas over the entire field. #### 2.3.2 Photometric Calibration Provisional photometric calibration is based on a series of standard star fields observed each night (e.g. Landolt 1992). For each night a zeropoint and error estimate using the observations of all the standard fields in each filter is derived. The flatfielding stage nominally places all detectors on a common internal gain system implying, in principle, that a single zeropoint suffices to characterise the whole focal surface. Colour equations are used to transform between the passbands in use on the VST and the Johnson-Cousins system of the published standard-star photometry. The calibration is currently in a VST system that uses the SED of Vega as the zero-colour, almost zero- magnitude, reference object. The $u$ band data are the most challenging to calibrate. As this part of Vega’s spectrum, and also the average standard star plus the detector reponse, are falling rapidly it would be surprising if there were no offsets in $u$ due to nonlinearities in the required colour transforms and, perhaps, to degenerate colour transforms for hotter stars. Early experience of working with $u$ data do indeed suggest that offsets of up to a few tenths of a magnitude are sometimes present (see Sections 5 and 6). The colour transforms currently in use to define the VPHAS internal system are given below. $\displaystyle u_{VST}$ $\displaystyle=$ $\displaystyle U+0.035\,(U-B)$ $\displaystyle g_{VST}$ $\displaystyle=$ $\displaystyle B-0.405\,(B-V)$ $\displaystyle r_{VST}$ $\displaystyle=$ $\displaystyle R+0.255\,(V-R)$ $\displaystyle i_{VST}$ $\displaystyle=$ $\displaystyle I+0.215\,(R-I)$ $\displaystyle H\alpha_{\,VST}$ $\displaystyle=$ $\displaystyle R+0.025\,(V-R)$ The transform for the narrowband H$\alpha$ is an approximate initial solution needed for the subsequent illumination correction stage. At catalogue bandmerging this is superceded (see Section 4). Figure 6: Photometric errors in VPHAS$+$ data as a function of magnitude. All data are drawn from an area of $\sim$0.2 sq.deg in field 1679, positioned $\sim$20 arcmin E of Westerlund 2. The left hand panel refers to blue observing block (OB) data, while the right refers to red OB data. The coloured histogram in each component plot shows the mean absolute deviation of the magnitude difference, $(m_{1}-m_{2})$, per 0.25-magnitude bin, while the bin means of the suitably-corrected pipeline estimate of the random error on this difference are in black. The 10- and 5-$\sigma$ magnitude limits are specified in the brackets next to each filter name. The rising observed mean deviation seen in $g$ at the bright end is due to the onset of saturation. #### 2.3.3 Illumination Correction The main difficulty in deriving an accurate photometric calibration over the one degree field arises from the multiplicative systematics caused by scattered light in the flatfields. The VST (at least up to the introduction of baffles early in 2014) has proved particularly susceptible to variable scattered light. Its impact has varied from month to month depending on conditions prevalent at the time the flat-field sequences were taken. An illustration of the amount and character of the master-flat correction required is provided in figure 5. The scattered light is made up of multiple components with different symmetries and scales. These range from $\approx$10 arcsec with x-y rectangular symmetry, e.g. due to scattering off masking strips above the CCD readout edges, to large fractions of the field due to radial concentration of light in the optics and to non-astronomical scattered light entering obliquely in flatfield frames. After some experimentation, and external verification, we found that the APASS all-sky photometric g,r,i catalogues (http://www.aavso.org/apass) provide a reliable working solution to the illumination correction problem inherent in VST data (see fig 5). These catalogues also provide an independent overall photometric calibration tied to the SDSS AB magnitude system and will be used in future updates to define an alternative finer-grained temporal AB magnitude zeropoint. All filters used are treated in the same manner with colour equations set up to define transformations between the APASS g,r,i SDSS-like calibration and the VPHAS+ u,g,r,i,Hα internal system. Illumination corrections are re-derived for each filter once a month. Application of these corrections via the master flats reduces the residual systematics across the entire field to below the 1% level for the broadband filters and to within 2% for the segmented narrowband H$\alpha$, except in vignetted regions (see Section 3). #### 2.3.4 Quality Control In addition to the usual VDFS quality-control monitoring of average stellar seeing and ellipticity, sky surface brightness and noise properties, we have also initiated a more detailed analysis of the image properties based on inter-detector comparisons. The well-aligned coplanar detector array coupled with the curved focal surface is extremely sensitive to imperfections in focus which are relatively easy to detect using the detector-level average seeing measurement variation available for each of the 32 detectors. Likewise the variation in average stellar ellipticity from each detector over the field is used to monitor rotator angle tracking problems. All of this information can be used in addition to the observation block (OB) grades provided by ESO and is incorporated within all data product files and also the progress database. ### 2.4 Limiting magnitudes and errors The present convention for VPHAS+ and this paper is that all magnitudes are expressed in the Vega system, which imposes zero intrinisc colour for A0 stars. The 5-sigma limiting magnitudes commonly achieved per exposure range from 20.5–21.0 for H$\alpha$ up to 22.2–22.7 for Sloan $g$. The 10$\sigma$ limits are about 1 magnitude brighter. Every source flux or magnitude determined via the pipeline has a formal error associated with it. We provide an example of how these compare with empirical magnitude differences, by extracting a sample of stars from a 0.25 sq.deg catalogue, cut out from the survey field including Westerlund 2 (field 1679, see also sec 6) in order to examine the pattern of errors (fig 6). The sky area chosen is offset from the cluster to the east by $\sim$20 arcmin and exhibits moderate diffuse ionised nebulosity. In the southern Plane, the presence of some nebulosity, particularly affecting $r$ and $H\alpha$ exposures, is more the rule than the exception. Sources classified as probable stars in both $g$ and $r$ (blue filter set, left panel) and $r$ and $i$ (red filter set, right hand panel) in two consecutive offset exposures have been selected. The selection also required that each extracted magnitude was unaffected by vignetting and bad pixels (confidence level $>95$). This step is particularly important for H$\alpha$ given the extra vignetting introduced by the cross bars of the segmented filter (see Section 3). The faintest stars that might have been included in the plots for $i$ and blue $r$ (top row in fig 6) are absent because of a requirement that every included source should also be picked up in, respectively, red $r$ and $g$. Fainter objects than the apparent limits certainly exist in these bands. This feature follows directly from the typically red colours of Galactic Plane stars at magnitudes fainter than $\sim$13 that are the target of this survey. For the same reason, it is not uncommon for the $u$ band source counts to be one or more orders of magnitude lower than those of the $i$ band. The role of the $u$ band is to pick out the unusual rather than to characterise the routine. To bring out the systematic effects present, the specific comparison made in fig 6 is between the bin means of the absolute magnitude differences, $|m_{1}-m_{2}-\delta|$, between the two exposures, and the expected random error on the difference derived from the pipeline rms errors on the individual magnitude measurements. The quantity, $\delta$, is the median magnitude difference computed from all bright stars down to 18th magnitude ($r$, $i$ and H$\alpha$), or 19th magnitude ($u$ and $g$). This was small in all cases – the largest value being 0.011 for $u$. On the other hand, the correction applied to the pipeline errors was, first, to multiply the single-measurement magnitude error by $\sqrt{2}$ to give the rms error on the $(m_{1}-m_{2})$ difference, and then to multiply by $\sqrt{2/\pi}$ in order to convert the measure of dispersion from rms to a mean deviation. At magnitudes brighter than 18–19 in fig 6, the scatter in the empirical results can be seen to be appreciably greater than that ’predicted’ for the random component by the pipeline. The scale of the difference indicates that a further error component of $\sim$0.01–0.02 magnitudes is present. The amount and filter-dependence of these levels of error are entirely consistent with the uncertainties estimated above for the flatfield and illumination corrections: as noted in section 2.3.3, the VST is presently prone to quite high and variable levels of scattered light. Practical remedies for this are under consideration by ESO – when implemented these should tighten up the error budget. The enhanced mean magnitude difference seen for $g<13$ in fig 6 is typical of what is seen as saturation effects begin to set in. For all the other bands, in this example, saturation sets in at magnitudes a little brighter than 12th. A safe working assumption across VPHAS+ would be that saturation is never troublesome at magnitudes fainter than 13, but always an issue for magnitudes brighter than 12. Figure 6 identifies the 5$\sigma$ and 10$\sigma$ magnitude limits for each filter achieved in this representative example. The seeing at the time of these observations, as measured in the pipeline, ranged from 0.8 to 1 arcsec (cf Table 1). ## 3 The narrowband $H\alpha$ filter ### 3.1 Overview Table 2: Summary of filter segment properties Segment | sky quadrant | CCDs covered | centre, mean, corner CWL | mean integrated ---|---|---|---|--- | | | (Å) | throughput (Å) A | SW | 1 – 8 | 6580.2 – 6585.4 – 6595.3 | 98.64 B | SE | 17 – 24 | 6596.1 – 6585.4 – 6578.9 | 103.38 C | NE | 25 – 32 | 6582.8 – 6591.9 – 6599.8 | 99.74 D | NW | 9 – 16 | 6581.7 – 6594.3 – 6603.8 | 99.49 Figure 7: The segmented H$\alpha$ filter, photographed in the lab soon after receipt and just prior to measuring its transmission. The filters to either side of the 2$\times$2 array of H$\alpha$ segments, transmit as $r$-band and cover the guide CCDs. A filter required to select a narrow band across a large 27$\times$27 cm2 image plane is a challenging fabrication problem. At the telescope, the filter in use for VPHAS$+$ is known as NB-659. At the time it was commissioned in 2006, the purchase of a single-piece narrowband filter was offered only by one supplier and was well beyond budget. This left the 4-segment option as the achievable alternative. The H$\alpha$ filter was constructed based on a specification supplied by the OmegaCAM consortium, setting as goal a central wavelength of 6588 Å, and a bandpass of 107 Å. It was delivered in the summer of 2009, and was shortly thereafter tested at the University of Munich Observatory, using the optical lab set up by the OmegaCAM consortium for filter testing. A photo of the filter at that time is shown in figure 7. The transmission of each filter segment was measured at 21 positions forming a coarse radial pattern (fig 8) using a monochromator beam adjusted to emulate the f-ratio 5.5 VST/OmegaCAM optical system. The logic of the chosen measurement pattern is to give a good sampling of the dominantly radial variation ofthe transmission profile due to the turntable rotation in the filter coating chamber. The diameter of the monochromator beam used in the measurements was 4-5 mm. This is a more compact beam than that of starlight at the telescope, which fills a spotsize of up to 12 mm on passing through the filter out of focus. Consequently, the actual performance will be a somewhat areally-smoothed version of the performance revealed by the lab measurements and their subsequent simulation. The filter was shipped to Paranal and VST in the spring of 2011, after some final selective remeasuring. These confirmed there had been no discernible bandpass changes in store since delivery almost 2 years earlier. Figure 8: A map of the positions within each filter segment at which the transmission was measured. The colour codings are used again in later figures to distinguish the central positions (black, crosses, sampling roughly 30% of the segment area), intermediate radii (blue, encircled crosses, sampling $\sim$half the area), and corners (red crosses, 15% of the area – of which almost half is lost to vignetting). The dashed lines define the limits of the strips 2 arcmin wide that experience any vignetting due to the filter T-bars. They are drawn here as for segment D. At the time the monochromator measurements were made, a segment naming scheme was put in place (segments A, B, C and D) which is re-used here. Presently the filter is housed in magazine B of OmegaCAM, which means that in terms of the view of the sky, segment A spans the SW section of the image plane, B the SE, while C and D span the NE and NW respectively. Table 2 identifies the mosaic CCDs beneath each segment, and sets down the centre-to-corner range in central wavelength (CWL) and the typical throughput integral. The laboratory tests showed us that the CWL of segments A, C and D is shortest in the segment centre, and drifts longwards according to a centro-symmetric pattern, as the corners and sides are approached. For segment B, the centre-to-corner drift is reversed, with the result that the corner CWLs are bluer than in the centre of the glass. Segment B also has the highest mean FWHM, and highest average peak transmission: integrated over the bandpass this is a difference in throughput of 0.045 magnitudes relative to A, C and D. The pipeline-applied illumination correction aims to eliminate this contrast. Area-weighted transmission profiles for the 4 segments are shown in fig 9, along with the overall mean profile. The latter is also given numerically in table 3. Figure 9: The mean transmission profiles of the individual glass segments, A to D (cyan, blue, green and red respectively), making up the $H\alpha$ filter and the overall mean profile (black). Table 3: Mean transmission for NB-659 Wavelength | Transmission | Wavelength | Transmission ---|---|---|--- (Å) | | (Å) | 6456.3 | 0.000 | 6591.5 | 0.962 6461.3 | 0.001 | 6696.5 | 0.961 6465.8 | 0.001 | 6601.0 | 0.960 6470.8 | 0.002 | 6616.0 | 0.955 6475.9 | 0.002 | 6611.0 | 0.945 6480.9 | 0.003 | 6616.1 | 0.928 6485.9 | 0.005 | 6621.1 | 0.896 6490.9 | 0.008 | 6626.1 | 0.839 6496.0 | 0.012 | 6631.1 | 0.736 6501.0 | 0.020 | 6636.2 | 0.609 6506.0 | 0.033 | 6641.2 | 0.466 6511.1 | 0.053 | 6646.2 | 0.230 6516.1 | 0.086 | 6651.2 | 0.219 6521.1 | 0.136 | 6656.3 | 0.133 6526.1 | 0.208 | 6661.3 | 0.081 6531.2 | 0.307 | 6666.3 | 0.048 6536.2 | 0.429 | 6671.3 | 0.029 6541.2 | 0.575 | 6676.4 | 0.018 6546.3 | 0.700 | 6681.4 | 0.011 6551.3 | 0.799 | 6686.4 | 0.007 6556.3 | 0.868 | 6691.5 | 0.005 6561.4 | 0.915 | 6696.5 | 0.003 6566.4 | 0.936 | 6701.5 | 0.002 6571.4 | 0.947 | 6706.5 | 0.002 6576.4 | 0.954 | 6711.5 | 0.001 6581.5 | 0.959 | 6716.5 | 0.001 6586.5 | 0.961 | 6721.6 | 0.000 Compared to the H$\alpha$ filter used in the IPHAS survey, NB-659 has a CWL that is redder on average by $\sim 20$ Å, it is around 10 percent wider, and has a higher overall throughput leading to zeropoints $\sim$0.2 higher. The known variations of bandpass across the 4 segments has implications for how best to exploit VPHAS+ data. To anticipate these we have carried out two types of simulation based on the lab measurements in order to identify them. We describe these next, and summarise the implications in Section 3.4. ### 3.2 Simulation of the main stellar locus in the $(r-H\alpha,r-i)$ diagram To gain an impression of the extent of the uniformity of performance with regard to normal main sequence stars, ($r-H\alpha,r-i$) tracks were (1) computed for each measured $H\alpha$ transmission profile using exactly the same method as was followed by Drew et al (2005) for the analysis of IPHAS data, (2) rescaled to a common integrated throughput, mimicking the effect of the pipeline illumination correction, (3) compared to the mean pattern by subtracting off the computed mean track. The result of this is shown as fig 10. The track differences picked out in red are from the segment corners exhibiting the largest CWL shifts. It can be seen that the tracks follow the same trend to within $\pm$0.02 up to about $r-i=1.2$ (corresponding to M3 spectral type), after which there is a clear fanning out. This shows that the obtained $r-H\alpha$ excesses should fall within the target photometric precision range of the survey for all except mid- to late-M stars. The sensitivity of the M stars to variations in the narrowband transmission profile is a point of note, while not actually a surprise. It arises from the great breadth of the feature in M-star spectra created by the absorbing TiO bands displaced to either side of the narrow H$\alpha$ bandpass, and the fact that the resulting inter-band flux maximum falls at wavelengths shortward of H$\alpha$. As these molecular bands strengthen with increasingly late spectral type, the $r-H\alpha$ apparent excess grows along with the sensitivity to the exact placement of the bandpass. Viewed in these terms, the $(r-H\alpha,r-i)$ colours of unreddened mid- to late-M dwarfs provide an empirical gauge of filter bandpass uniformity and/or typical CWL. To minimise the bandpass sensitivity and hence spread seen at late M, the CWL would need to be lowered to around 6530 Å or less. In practice, later M dwarfs are sufficiently faint that they normally appear in $(r-H\alpha,r-i)$ diagrams as a relatively sparse distribution of scarcely reddened objects – falling within a thinly-populated, continuation of the unreddened main sequence, redward of $(r-i)=1.0$, rising from $r-H\alpha\sim 0.5$ up to $\sim 0.8$, (see figs 17, or 20). Reddened M dwarfs are usually just too faint to be detected. Figure 10: The r - H$\alpha$ deviations computed for all measured positions on the H$\alpha$ filter, NB-659, after correcting the data for bandpass integrated throughput variations. The data are colour-coded according to position of measurement as in fig 8. The most discrepant corner positions, all plotted in red, are located in segments C and D. Selection of mid-to-late M dwarfs is therefore straightforward, but quantitative interpretation of $(r-H\alpha)$ should be presumed more uncertain than at earlier spectral types. Similar effects will be seen in the M-giant spur located at lower $(r-H\alpha)$ in the $(r-H\alpha,r-i)$ diagram (see fig 16). However, as red giants will be picked up by VPHAS+ at large distances through significant reddening, a precautionary check on the impact of non-zero extinction on this fanning in colour has been made: tracks of the type compared in fig 10 were recalculated for $A_{V}=6$ and no noticeable additional effect was found (see also fig 17). ### 3.3 Simulation of the impact of source radial velocity on in-band emission line fluxes Simulations have also been performed to consider how the filter captures emitted $H\alpha$ flux, as a function of location within the field of view and source radial velocity. An ideal filter, centred on the mean rest wavelength of the imaged $H\alpha$ emission and placed in a high f-ratio optical path, would be insensitive to radial velocity shifts up to a limit proportional to the FWHM of the bandpass. The desired capabilities of the VPHAS+ H$\alpha$ filter are separation between H$\alpha$ emission line objects and the main stellar locus – and, better still, a regular mapping of measured $r-H\alpha$ excess onto emission equivalent width (cf Drew et al 2005, figure 6). The two representative spectra used to investigate how these capabilities are affected by changing source radial velocity are shown in fig 11. Figure 11: Top panel: an example of a very bright, simple H$\alpha$ emission profile (taken from Corradi et al 2010). The emission equivalent width is 220 Å, and the FWHM of the observed profile is close to 390 km s-1. The mean radial velocity of the line is $+$35 km s-1. The difference between a pure continuum magnitude and that including the line is somewhat in excess of 1.2. Lower panel: the contrast of the line relative to continuum is much less here (EW $\sim$ 20 Å), and the FWHM is somewhat wider at 570 km s-1 (a classical Be star, taken from Raddi et al, 2013). The mean radial velocity is $-$50 km s-1. The continuum-only magnitude is fainter by about 0.2 only, here. Both spectra were blueshifted to $-$500 km s-1 , and then shifted redward in steps of 100 km s-1 at a time, up to $+$500 km s-1 (altogether a displacement of 22 Å) – calculating at each step the integral of the spectrum folded through the filter transmission profile. The resultant in-band fluxes were converted to magnitudes, and then shifted by the amount required to match the integrated transmission to the overall mean for the filter (again mimicking the function of the pipeline illumination correction). In real use, we would expect the majority of emission line objects to present with FWHM no greater than either of these examples (interacting binaries and WR stars do present with much broader emission, however). The radial velocity range explored was chosen with the following considerations in mind:- Emission line stars in the thin disk will commonly have radial velocities falling within the range -100 to +100 km/s. In the Bulge larger radial velocities may be encountered: excursions to $\pm$200 km s-1 are observed in CO (Dame, Hartmann & Thaddeus 2001) within $\sim 20^{\circ}$ of longitude of the Galactic Centre, and for a minority of inner- Galaxy planetary nebulae, radial velocities have been obtained that extend the range almost to $\pm$300 km s-1 (see Durand, Acker & Zilstra 1998, and Beaulieu et al 2000). Figure 12: Results of simulation of the in-band flux as a function of source radial velocity for the EW = 220 Å emission spectrum (upper panel in fig 11). The fluxes are expressed as magnitude offsets relative to the peak simulated in-band flux. The panels representing the segments are arranged as they are imposed on the plane of the sky, i.e. A covers the SW quadrant, D covers the NW when the filter is stored in OmegaCAM’s magazine B. The curves are colour- coded according to measurement position as in fig 8. Galactic sources will usually fall well within the marked velocity range, $-$200 to $+$200 km s-1. The more problematic red curves, representing the response of the segment corners, account for $\sim$8% of each segment’s unvignetted area only. Figure 13: Results for an emission line net equivalent width of 20 Angstroms (spectrum shown in lower panel in fig 11). Otherwise as fig 12. Figure 14: The layout of the H$\alpha$ filter, showing the positions of the PN-test measurements, colour coded according to flux relative to the corners of segment B. Those shown as black crossed boxes have a scaled flux $\geq 0.95$. Those in blue are a little lower with a scaled flux in the range 0.90 – 0.94. The two positions marked in green have fluxes scaling to 0.88 and 0.89, while the two in red scale to 0.84 and 0.77 (both in segment D). There is no measurement for the centre of segment C because of a telescope pointing imprecision. The other centre measurements were obtained $\sim 2$ arcmins away from the true centres plotted in order to avoid CCD gaps. The dashed lines mark the limits of the T-bar vignetting. The results of this exercise are plotted in figs 12 and 13. Fig 12 shows that segments A and B come very much closer to independence of radial velocity than segments C and D, in terms of measured $H\alpha$ excess. In all segments, reasonable fidelity (a flat, or nearly flat response) is achieved around segment centre – although in B, uniquely, the corners happen to perform a little better than the centre. Clearly segment D, where the transmission is centred on longer wavelengths than in the other segments, could yield measurements in its corners (perhaps 8% of its unvignetted area) of $H\alpha$ magnitude, or of $r-H\alpha$, that underestimate the flux of similarly high equivalent-width H$\alpha$ emission by up to $\sim$ 0.3 (out of a true excess, expressed in magnitudes of $\sim 1.2$). Segment C performs similarly, but the potential flux drop associated with its corners is less pronounced. We can compare the expectations created by these simulations with the results of an on-sky experiment in which the planetary nebula (PN) ESO 178-5 (or PNG 327.1 -02.2) has been exposed in H$\alpha$ at a series of positions in the image plane, placing it well into every corner and also close to the centre of each of the four filter segments (see fig 14). The observed integrated counts variation might be predicted to be somewhat stronger than in fig 12 given that the in-band continuum flux from this PN will be relatively even weaker. But this will be offset by the additional flux due, in particular, to [NII] $\lambda$6584\. The PN chosen for this test was picked both because it is well-calibrated (Dopita & Hua 1997), and because its LSR radial velocity is quite large and negative ($v_{LSR}=-88.7$ km s-1: on 19th April 2013 when it was observed, this will have shifted to $-105$ km s-1 at the telescope). It also happens to possess [NII] $\lambda$6584 emission that is scarcely less bright than H$\alpha$ (the former has 98% the flux of the latter: Dopita & Hua also provide a spectrum of this nebula). Background-subtracted aperture photometry of the PN and a moderately bright star nearby, serving as a continuum reference, was carried out on the reduced images. These measurements reveal a pattern of behaviour that essentially tracks the results shown in figure 12: the continuum reference itself shows a total count variation of $\pm 5$% across all pointings, while the PN counts, after scaling to the reference, range from $+5$%, down to $-23$% relative to the values for the corners of segment B. In the extreme case that all of the H$\alpha$ and [NII] $\lambda$6548 emission had been shifted out of the bandpass, the maximum drop for this PN would be $-57$% (the remaining 43% being attributable to [NII] $\lambda$6584). The pattern across the filter of the results emerging from this trial is shown in fig 14. The radial-velocity dependence of the transmitted flux may accordingly become an issue for objects with very strong H$\alpha$ emission where the aim is accurate flux determination, unless attention is paid to where the object falls in the image plane. Qualitatively the issue is less critical: regardless of where the object is located, the changes in transmission are not so large that there will be frequent failures to distinguish strong H$\alpha$ emitters – i.e. they will still appear above the main stellar locus in the $(r-H\alpha,r-i)$ diagram. In the example simulated, the outer reaches of segment D would bring $(r-H\alpha)$ down to 0.9 – 1.0, a level that nevertheless remains clear of the domain that might be occupied by unreddened, non-emission very late-type M dwarfs ($(r-H\alpha)\sim 0.8)$, cf fig 16). As further context, we note that nearly continuum-free emission line objects, such as PNe and HII regions, present with $r-H\alpha\sim 3$. Where the line emission itself contributes only a minority of the measured narrowband $H\alpha$ flux the trends seen are much more subdued (fig 13). For the example shown, only 20 percent of the total in-band flux is attributable to the net line emission, rather than most of it as in fig 12. Again, the corners of segments C and D perform least well, in under-representing the emission flux by up to $\sim$0.05 magnitudes at the most negative likely Galactic Plane radial velocities. Otherwise, the performance is predicted to be within the anticipated 0.02–0.03 error budget of the survey. ### 3.4 Implications of the H$\alpha$ filter properties for VPHAS+ and its exploitation In summary, for most purposes the H$\alpha$ filter performs as required, and has very good throughput. For the great majority of stars making up the main stellar locus, there will be the desired fidelity of $(r-H\alpha)$ colour, and the great majority of emission line objects will be detected with the same facility as they are by IPHAS. There are two caveats to note. First, in Section 3.2 it was shown that variations in central wavelength across the filter segments will lead to thickening of the loci traced by mid-to-late M stars. These same variations, of what is a relatively red H$\alpha$ passband, also introduce the potential for under-determination of H$\alpha$ fluxes for objects/nebulosity in parts of the image plane for sources with significantly negative radial velocities (Section 3.3). This becomes most serious for emission-line sources falling near the vignetted corners of segments D and C, where a $20-30$ percent under- counting in H$\alpha$ may occur for radial velocities approaching $-200$ km s-1. As is always the case for narrowband H$\alpha$ filters, the common presence of significant [NII] $\lambda\lambda$6548, 6584 emission bracketing H$\alpha$ in planetary nebulae or HII regions complicates the expected signature. However, it can be guaranteed in all but rare, exotic circumstances that the stronger $\lambda$6584 component of the [NII] doublet falls well within the bandpass. The outstanding practical consequence of the filter’s transmission characteristics for the survey strategy are that, for quantitative reliability, measures of $(r-H\alpha)$ obtained using segments A and B, and the central zones of C and D (out to $\sim 13$ arcmin) are to be favoured. This appreciation is half of the reason for the adoption of offsets of several arcminutes between the 3 successive pointings made in this filter (fig 3) for each field – our strategy ensures that objects captured in segment corners in the first pointing are fall close to segment centres in the third. The rest of the motive is to mitigate the cross-shaped vignetting due to the blackened T-bars holding the segments in place (fig 7). Each arm of the cross casts a shadow entirely contained within a strip 4 arcmin wide. By choosing to offset at least this much in both RA and Dec between the 3 exposures obtained per field, we raise the probability of at least one high-confidence $r-H\alpha$ colour measurement per detected source in the final catalogue to very nearly 100 percent, and the probability of two to over 95 percent. Finally, we remark that the combination of large offsets and three pointings has the consequence that the fraction of sky within the survey footprint missed altogether, due to dead areas between the CCDs and vignetting, is under 0.3 percent. ## 4 Simulation of VPHAS$+$ stellar colours The five bandpasses of the survey provide the basis for the construction of a range of magnitude-colour and colour-colour diagrams. To take full advantage of them, knowledge is needed of the behaviours that can be expected of the colours of normal stars. We have simulated colours for solar-metallicity main sequence and giant stars using the same method as employed by Sale et al. (2009). We adopt the definition of these two sequences in $(T_{eff},\log g)$ space given by Straizys & Kuriliene (1981). Then for each spectral type along these sequences, solar-metallicity model spectra were drawn from the Munari et al. (2005) library. At a binning of 1 Å the spectra in this library are well enough sampled to permit the calculation of narrow-band $H\alpha$ relative magnitudes with confidence, alongside the analogous broadband quantities. More detail on the broadband filter transmission profiles, shown in Fig. 2, and on the CCD response curve is provided on the ESO website444http://www.eso.org/sci/facilities/paranal/instruments/omegacam/doc. To ensure compliance with the Vega-based zero magnitude scale, we have defined the synthetic colour arising from a flux distribution $F_{\lambda}$ as follows: $m_{1}-m_{2}=-2.5\log\left[\frac{\int T_{1}\lambda F_{\lambda}d\lambda}{\int T_{1}\lambda F_{\lambda,V}d\lambda}\right]+2.5\log\left[\frac{\int T_{2}\lambda F_{\lambda}d\lambda}{\int T_{2}\lambda F_{\lambda,V}d\lambda}\right]$ where $T_{1}$ and $T_{2}$ are the numerical transmission profiles for filters $1$ and $2$, after multiplying them through by the atmospheric transmission (Patat et al 2011) and mean OmegaCAM CCD response curves. The SED adopted for Vega, $F_{\lambda,V}$, is that due to Kurucz (http://kurucz.harvard.edu/stars.html). Where needed for comparison, we have also computed colours based on the Pickles (1998, hereafter P98) spectrophometric stellar library (the approach adopted by Drew et al 2005 for IPHAS). To maintain precision, the numerical quadrature resamples the more smoothly varying transmission data onto the sampling interval of the stellar SED. The $(r-H\alpha)$ excess is evaluated in exactly the same way as the broadband colours. Since Vega is an A0V star, its SED at H$\alpha$ incorporates a strong absorption line feature that reduces the in-band flux below the pure continuum value. Unlike the broadbands, the $H\alpha$ narrowband has not yet been standardised and so there is not a formally recognised flux scale. However, we can specify here that the integrated in-band energy flux for Vega, on adopting the mean profile for the VST filter, is $1.84\times 10^{-7}$ ergs cm-2 s-1 (at the top of the Earth’s atmosphere). To assure zero colour relative to the optical broad bands, this flux is required to correspond to $m_{H\alpha}\simeq 0.03$. The reduction in zeropoint (zpt) that the computed in-band flux implies relative to the flux captured by the much broader $r$ band – based on folding Vega’s SED with lab measurements of the filter throughputs corrected for atmosphere and detector quantum efficiency – is 3.01. Current practice in VPHAS+ photometric calibration is accordingly to adopt zpt(NB-659) = zpt(r) - 3.01 magnitudes as the default calibration for the narrowband: in section 5 where a direct comparison is made with SDSS spectroscopy, this offset is found to be satisfactory. When applied, it assures that data obtained in photometric, or stable, conditions, yield zero $r-H\alpha$ colour for A0 stars. Figure 15: The expected positions of main sequence and giant stars in the $(u-g,g-r)$ plane. For the main sequence, tracks are shown for the monochromatic reddenings $A_{0}=$ 0, 2, 4, 6 and 8 (working from left to right). The red leak in the $u$ filter starts to lower $u-g$, noticeably from $A_{0}=6$ (tracks drawn in red). The giant-star tracks, drawn as dashed lines for $A_{0}=0$, 2 and 4 only, are very similar to their main-squence counterparts except at the latest types. Figure 16: The expected position of main sequence and giant stars in the $(r-H\alpha,r-i)$ plane. Tracks are shown for the monochromatic reddenings $A_{0}=$ 0, 2, 4, 6, 8 and 10 (from left to right). Solid lines represent the main sequence tracks, while dashed lines are used for the giant tracks. The lines in red are giant-star tracks derived from P98 spectrophotometry. Both main-sequence and giant-star colours have been calculated for a range of reddenings and optical-IR extinction laws as formulated by Fitzpatrick & Massa (2007). The unreddened colours for the mean Galactic law ($R=3.1$) are laid out here in table 4. The Appendix provides additional tables that specify the colours of main sequence stars at selected reddenings and for two further representative reddening laws ($R=2.5$ and 3.8). These can be used to construct intrinsic-colour-specific reddening lines. For the large range in extinction sampled along many Galactic Plane sightlines, these reddening trends are slightly curved (see the examples shown in e.g. Sale et al 2009). In this paper we use $A_{0}$, the monochromatic reddening at 5500 Å to parameterise the amount of reddening, rather than the band-averaged measure, $A_{V}$. In most circumstances these quantities are almost identical. Table 4: VST/OmegaCAM synthetic colours for unreddened main-sequence dwarfs and giants. Sp.type | main sequence (V) | | giants (III) ---|---|---|--- | | | | | | (model) | (P98 library spectra) | $u-g$ | $g-r$ | $r-i$ | $r-H\alpha$ | | $u-g$ | $g-r$ | $r-i$ | $r-H\alpha$ | $r-i$ | $r-H\alpha$ O6 | -1.494 | -0.313 | -0.145 | 0.071 | | | | | | | O8 | -1.463 | -0.299 | -0.152 | 0.055 | | | | | | -0.158 | 0.074 O9 | -1.426 | -0.271 | -0.142 | 0.064 | | -1.426 | -0.271 | -0.142 | 0.064 | | B0 | -1.404 | -0.267 | -0.143 | 0.058 | | -1.404 | -0.267 | -0.143 | 0.058 | | B1 | -1.296 | -0.236 | -0.130 | 0.052 | | -1.316 | -0.234 | -0.130 | 0.057 | -0.095 | 0.071 B2 | -1.181 | -0.214 | -0.117 | 0.049 | | -1.209 | -0.211 | -0.116 | 0.056 | | B3 | -1.025 | -0.182 | -0.098 | 0.048 | | -1.046 | -0.182 | -0.098 | 0.054 | -0.035 | 0.083 B5 | -0.799 | -0.133 | -0.071 | 0.043 | | -0.814 | -0.134 | -0.072 | 0.050 | -0.016 | 0.083 B6 | -0.699 | -0.116 | -0.062 | 0.040 | | -0.714 | -0.116 | -0.062 | 0.046 | | B7 | -0.550 | -0.094 | -0.051 | 0.033 | | -0.568 | -0.095 | -0.051 | 0.041 | | B8 | -0.361 | -0.071 | -0.039 | 0.022 | | -0.383 | -0.072 | -0.039 | 0.032 | | B9 | -0.168 | -0.040 | -0.023 | 0.009 | | -0.186 | -0.044 | -0.024 | 0.021 | -0.018 | 0.035 A0 | -0.024 | 0.000 | -0.003 | -0.002 | | -0.030 | -0.009 | -0.006 | 0.011 | 0.012 | 0.034 A1 | 0.007 | 0.015 | 0.004 | -0.004 | | 0.007 | 0.004 | 0.000 | 0.008 | | A2 | 0.039 | 0.038 | 0.014 | -0.005 | | 0.051 | 0.022 | 0.009 | 0.008 | | A3 | 0.064 | 0.062 | 0.025 | -0.005 | | 0.085 | 0.045 | 0.019 | 0.007 | 0.037 | 0.063 A5 | 0.096 | 0.130 | 0.056 | 0.008 | | 0.143 | 0.107 | 0.048 | 0.015 | 0.096 | 0.087 A7 | 0.073 | 0.206 | 0.089 | 0.030 | | 0.145 | 0.179 | 0.078 | 0.032 | 0.115 | 0.094 F0 | 0.003 | 0.336 | 0.153 | 0.086 | | 0.091 | 0.317 | 0.144 | 0.084 | 0.156 | 0.102 F2 | -0.021 | 0.396 | 0.182 | 0.111 | | 0.064 | 0.380 | 0.174 | 0.109 | 0.204 | 0.172 F5 | -0.039 | 0.505 | 0.230 | 0.150 | | 0.046 | 0.491 | 0.224 | 0.148 | 0.238 | 0.164 F8 | -0.013 | 0.587 | 0.263 | 0.174 | | | | | | | G0 | 0.012 | 0.628 | 0.278 | 0.185 | | | | | | 0.333 | 0.213 G2 | 0.011 | 0.628 | 0.279 | 0.185 | | 0.253 | 0.759 | 0.329 | 0.215 | | G5 | 0.162 | 0.756 | 0.327 | 0.217 | | 0.405 | 0.870 | 0.368 | 0.235 | 0.396 | 0.250 G8 | 0.355 | 0.845 | 0.358 | 0.233 | | 0.531 | 0.944 | 0.395 | 0.247 | 0.419 | 0.247 K0 | 0.523 | 0.938 | 0.396 | 0.248 | | 0.640 | 1.002 | 0.417 | 0.256 | 0.446 | 0.254 K1 | 0.551 | 0.954 | 0.403 | 0.251 | | 0.803 | 1.085 | 0.451 | 0.269 | 0.468 | 0.269 K2 | 0.629 | 0.993 | 0.419 | 0.258 | | 0.963 | 1.159 | 0.483 | 0.281 | 0.508 | 0.293 K3 | 0.779 | 1.062 | 0.447 | 0.269 | | 1.227 | 1.276 | 0.536 | 0.299 | 0.514 | 0.286 K4 | 0.871 | 1.108 | 0.468 | 0.278 | | 1.374 | 1.342 | 0.585 | 0.320 | 0.592 | 0.313 K5 | 1.083 | 1.210 | 0.522 | 0.300 | | 1.578 | 1.420 | 0.630 | 0.338 | 0.714 | 0.337 K7 | 1.387 | 1.402 | 0.724 | 0.387 | | | | | | | M0 | 1.372 | 1.411 | 0.789 | 0.411 | | 1.697 | 1.454 | 0.686 | 0.360 | 0.827 | 0.411 M1 | 1.335 | 1.439 | 0.934 | 0.467 | | 1.838 | 1.506 | 0.769 | 0.395 | 0.872 | 0.401 M2 | 1.262 | 1.442 | 1.112 | 0.522 | | 1.938 | 1.546 | 0.825 | 0.420 | 0.920 | 0.443 M3 | 1.236 | 1.447 | 1.179 | 0.545 | | 1.980 | 1.556 | 0.933 | 0.444 | 1.165 | 0.471 M4 | 1.248 | 1.457 | 1.168 | 0.543 | | 1.959 | 1.551 | 1.136 | 0.500 | 1.472 | 0.512 M5 | | | | | | 2.009 | 1.569 | 1.296 | 0.556 | 1.739 | 0.560 M6 | | | | | | 2.199 | 1.612 | 1.267 | 0.554 | | Based on the data from these tables, the main sequence and giant tracks are as shown in figures 15 and 16. These identify where the main stellar loci will fall. It is important to note that the OmegaCAM $u$ filter, like all filters constructed for this challenging band, exhibits a low-level red leak. In this instance, lab measurements indicate transmission at levels between $10^{-5}$ and $10^{-4}$ within limited windows around $\sim$9000 Å. This is enough to begin to noticeably, and erroneously, brighten the $u$ magnitudes of normal stars reddened to $g-r>3$. Because of this, and because the measurement of very low level leakage is itself subject to proportionately higher uncertainty, we do not plot or tabulate $u-g$ data beyond $g-r=3$ limit. Very few detected sources are so extreme. In practice, VPHAS+ $u-g$ is faithful for extinctions up to $A_{0}\sim 6$, but gradually thereafter it transforms into a colour that behaves crudely as $-(g-z)$. The $(r-H\alpha,r-i)$ colour-colour diagram is not subject to such effects, and therefore remains sound across a wider spread in visual extinctions. Synthetic tracks are presented in figure 16 for $A_{0}=0$, 2, 4, 6, 8 and 10. The main sequence tracks shown are similar to those appropriate to IPHAS (cf figure 6 of Sale et al 2009). But a problem emerges when it comes to the simulation of red giant colours. Purely theoretical simulation predicts late-K and M giant colours closely resembling those of dwarfs, whereas simulation using P98 library spectrophotometry indicates a distinctive flattening of the M-giant track, peeling away from the steadily rising main sequence track. Figure 16 points out this contrast. Inspection of table 4 reveals this is a problem linked mainly to simulation of the $i$ spectral range, which renders $(r-i)$ progressively larger from late K into the M giant range when the library spectra are used in place of model atmospheres. Figure 17: Equatorial VPHAS+ data (upper panel) and IPHAS data (lower panel) compared to show the different appearance of M-giant $(r-H\alpha,r-i)$ colours. The photometry is extracted from a $\sim$0.2 sq.deg region of sky, centred on $\ell=35.95^{\circ}$, $b=-3.13^{\circ}$. The magnitude range is limited to $13<r<18$ in both cases. Telescope-appropriate giant tracks, computed from the P98 spectrophotometric library, for $A_{0}=$ 2 and 4 are superimposed in red in both panels. In the upper panel, giant tracks computed from model atmospheres for the same reddenings are shown in blue. The black dashed line in each panel is the synthetic early-A reddening line, from $A_{0}=0$ to $A_{0}=10$. The stars appearing in the IPHAS catalogue as candidate emission line stars are enclosed in cyan boxes in both panels. Evidence that M giants are better reproduced by synthetic photometry based on flux-calibrated spectra is provided by figure 17. This figure also compares new VPHAS+ data with their crossmatches in the IPHAS survey within a $\sim$0.2 sq.deg equatorial field ($\ell=35.95^{\circ}$, $b=-3.13^{\circ}$), and shows selected synthetic tracks superimposed. The photometry from the two surveys of the most densely populated part of the main stellar locus to $(r-i)\simeq 1.5$ substantially overlap, but not perfectly – the response functions describing the three bandpasses involved in fig 17 undoubtedly differ in detail between the two telescopes. On cross-correlating either $(r-i)$ or $(r-H\alpha)$ between the two surveys, it becomes clear that the IPHAS colour has the somewhat larger dynamic range. This is the reason for the slightly more stretched appearance of both the main locus and the early-A reddening line in the IPHAS diagram relative to that for VPHAS+. At $(r-i)>1.5$ in fig 17, it can be seen that the M-giant spurs look very different. First, the VPHAS+ M giants fall into a nearly flat distribution lying at lower $(r-H\alpha)$, compared to the more steeply rising higher IPHAS M-giant sequence. However, as long as the data are interpreted with reference to telescope-appropriate synthetic photometry, the two datasets will lead to the same inference. In the example shown in fig 17, the comparisons with suitable synthetic giant tracks indicate that the maximal extinction in the field can be no more than $A_{0}\simeq 4$. The extinction measures due to Marshall et al (2006), based on 2MASS red-giant photometry, indicate a maximum Galactic extinction of $A_{K}\sim 0.3$ for this pointing. For a typical Galactic $R=3.1$ reddening law this scales up to $A_{0}\sim 3.3$ (roughly – see Fitzpatrick & Massa 2009). If model-atmosphere giant tracks are referred to instead, the M giants would have to be read as demanding visual extinctions ranging from $\sim$4 upwards. Fig 17 also demonstrates the broadening in $(r-H\alpha)$ of the VPHAS+ M-giant sequence that was foretold in Section 3. The IPHAS counterpart is evidently much sharper, as it rises to higher $r-H\alpha$ with increasing $r-i$. The main practical impact of this difference is that IPHAS M-giant photometry is the better starting point for picking apart chemistry differences (Wright et al 2008). But it is as true of the VPHAS+ $(r-H\alpha,r-i)$ diagram as it is of its IPHAS equivalent – that M giants at $r-i>1.5$ sit below and apart from M dwarfs. Fortuitously, fig 17 identifies an advantage of the generally good seeing available at the VST. There are two candidate emission line objects apparent in the IPHAS selection (enclosed in cyan boxes, in fig 17), that drop back into the main stellar locus in the VPHAS+ data. Inspection of the images shows that both stars are in close doubles of similar brightness, of under 2 arcsec separation. Because they are a little better resolved in VPHAS+ ($\sim$0.8 arcsec seeing), than in IPHAS ($\sim$0.9 arcsec seeing), the pipeline makes a better job of the assigning magnitudes in the different bands to the blend components. This example nicely illustrates the most common reason for bogus candidate emission line stars in either VPHAS+ or IPHAS - improperly disentangled blends. Candidate emission line stars should always be checked for this kind of problem before spectroscopic follow-up. Otherwise, experience with IPHAS gives confidence that the selection of emission line objects via VPHAS+ will be highly efficient (see e.g. Vink et al 2008, Raddi et al 2013). Finally, it is worth noting that the bright limit of the survey at 12–13th magnitude effectively excludes any unreddened stars of earlier spectral type than $\sim$G0. Before more luminous stars of spectral type F and earlier can enter the survey sensitivity range, they need to be at distances in excess of 1 kpc, typically, where low extinction becomes increasingly improbable. This constraint bestows a significant selection benefit in that only unreddened or lightly-reddened subluminous objects, with intrinsically blue colours are left standing clear near the blue end of the main stellar locus in commonly- constructed photometric diagrams. In this domain VPHAS+ has important selection work to do. ## 5 Photometry validation: a comparison of SDSS and VST data Before the start of survey field acquisition, we obtained observations in all survey filters of two pointings that fall within the SDSS photometric and spectroscopic coverage (Abazajian et al 2009). These were centred on RA 20:47:53.7 Dec -06:04:14.5 (J2000) and RA 21:04:25.94 Dec +00:59:15.8 (J2000) – fields that happen to include a number of white dwarfs and cataclysmic variables (not discussed further here). The main aim of the data was to verify VST photometry both by comparison to SDSS photometry and to synthetic photometry derived from SDSS spectra. The VST observations were obtained on 21/09/2011, during clear weather at a time of generally sub-arcsecond seeing. The exposure times differ only a little from those now in general survey use: the $g$ exposures were 30 sec, rather than 40, and $i$ was exposed for 20 sec rather than 25 - the other times were as given in Section 2.1. The photometry on the sources in these fields have been pipeline-extracted and calibrated in the standard way, and have been cross-matched to their SDSS counterparts. The number of cross matched stars used in this exercise ranges from $\sim 2500$ ($u$) up to $\sim 10000$ ($r$). For a star to be included, it must be: unvignetted; to have a star-like point spread function; to lie within 0.5 arcsec of its SDSS counterpart, and to fall within the magnitude range $16>r_{VST}>19$. The SDSS selection constraints were set to exclude blended and saturated sources, and sources close to detector edges. In addition, it was required of every source that, in both surveys, the formal error on the magnitude measurement is less than 0.03. Figure 18: The distributions, by band pass, of the measured magnitude differences between VST test data and SDSS, after correction of the latter magnitudes from the AB to the Vega zero-magnitude scale. These were obtained from two VST pointings, away from the Galactic Plane, that overlap the SDSS footprint. The biggest differences are found in the $u$ band where the VST data are fainter than the corrected SDSS values by $\sim 0.12$, in the median. Figure 19: Measured magnitude shifts between VST and SDSS cross-matched objects as a function of SDSS colour, for the second of the two fields observed (only). The data in blue are $\Delta u$ versus $(u-g)_{SDSS}$; the data in green and red are, respectively, $\Delta g$ and $\Delta r$ versus $(g-r)_{SDSS}$; the data in black are $\Delta i$ versus $(r-i)_{SDSS}$. The horizontal lines show where the four loci would be expected to lie in the case that the SDSS and VST broadband filters were identical, and the calibrations perfect. The data fall into loci that are not far displaced from these horizontal lines and are almost as flat: this indicates that the colour- dependent terms that would be needed in equations to transform between the SDSS and VST systems are small. In fig 18 we plot the histograms of the magnitude differences between the two surveys, according to pass band – pooling the data from both pointings. If the starting assumption is that the VST broadband filters are identical to the SDSS set, the predicted magnitude for each star in each filter is the measured SDSS magnitude, less the offset between the AB and Vega scales (essentially the numerical difference between the magnitude of Vega in the AB system and its value of 0.02 to 0.03, according to the alternative Vega-based convention – see table 8 in Fukugita et al 1996). In the $g$, $r$ and $i$ bands, the predicted and observed magnitudes are well-enough aligned, and the interquartile spread is consistent with the way the data were selected for random errors less than 0.03. However in $u$ there is a discrepancy that exceeds expected error: the median difference deviates by 0.12 magnitudes and the width of the distribution is twice that arising in the comparisons of the other bands. The fuller picture is presented in figure 19 which shows the broadband magnitude differences as a function of the relevant SDSS colour for the second of our two fields (only). In all 4 pass bands, including $u$, the colour dependence can be seen to be very weak in that the loci traced out by the plotted stars are – to a first approximation – flat. The discrepancy seen in $u$ is revealed as mainly a zero-point shift, combined with scatter that exceeds the formal errors. In highly reddened Galactic Plane fields, the stellar colour effects may become more pronounced as extinction modifies the effective sampling of the passbands. Table 5: Mean magnitude offsets between VST photometry and cross-matching synthetic photometry derived from the SDSS database of spectra. The synthetic magnitude scale adopts magnitudes for Vega itself of 0.026 (see Bohlin & Gilliland 2004) Offset | Field 1 (117 stars) | Field 2 (50 stars) ---|---|--- $u_{VST}-u_{syn}$ | 0.07$\pm$0.39 | 0.11$\pm$0.17 $g_{VST}-g_{syn}$ | 0.06$\pm$0.09 | 0.06$\pm$0.04 $r_{VST}-r_{syn}$ | 0.01$\pm$0.06 | 0.03$\pm$0.03 $i_{VST}-i_{syn}$ | -0.06$\pm$0.08 | -0.05$\pm$0.03 As a separate exercise, we have used SDSS spectra to synthesise magnitudes and colours for stars with cross-matching VST photometry. The spectral type range present within this much smaller sample runs from B-type through to early M-type (M1). At wavelengths below 3800 Å falling within the $u$ band, it was necessary to extrapolate the spectra using appropriately chosen P98 library data. The result of this comparison is agreement between the VST and synthesised magnitudes at the $\sim$5 percent level (table 5), with the $u$ band as the outlier exhibiting much more pronounced scatter as well as somewhat higher offset. This pattern echoes the behaviour apparent in the VST- SDSS purely photometric comparison of fig 18, using a much larger sample. The difficulty is not confined to VST $u$ however, in that SDSS $u$ photometry fares scarcely any better relative to synthesis from the spectra (for the two fields, offset and scatter are -0.09 $\pm$ 0.37, and -0.04 $\pm$ 0.16). As more blue survey data are accumulated, it may become clear that the $u$ zeropoint will benefit from being tied to that of $g$ for those fields observed in the best conditions, as is presently done for $H\alpha$ with respect to $r$. This option is not yet enacted. For the time being, it must be acknowledged that pipeline $u$ calibration is more approximate than those of the other bands. We have also used the reduced cross-match sample to look at how the VST photometric $r-H\alpha$ colour compares with its counterpart synthesised from spectra – looking, in particular, for any trends as a function of distance from field centre. No such trend is apparent, thereby meeting the expectation that the narrowband fluxes of normal stars, to early-M spectral type, would not be affected by the pattern of bandpass shifts discussed earlier in section 3 (cf. fig 10). However we do find that in order to make this detailed comparison, systematic offsets had to be removed from the VST photometry first. These were 0.075 in $(r-i)$, in the sense that the VST colours were too red by this amount, and a 0.02 reduction in $(r-H\alpha)$. The $(r-i)$ offset is consistent with the broadband magnitude offsets listed in Table 5 and hence is as expected. The $(r-H\alpha)$ adjustment is small enough (i.e. within the fit error) that it supports the zeropoint shift of 3.01 magnitudes between the $r$ and $H\alpha$ bands that was identified in section 4). Once these colour offsets are applied to the VST data, the rms scatter of the photometric $(r-H\alpha)$ colour relative to its synthetic counterpart is 0.04 for objects brighter than $r=19$. Figure 20: Left, the $(u-g,g-r)$ and right, the $(r-H\alpha,r-i)$ photometric diagrams pertaining to VPHAS+ survey field 1679. Both diagrams are plotted as two-dimensional stellar-density histograms, rainbow colour-coded such that high source densities (80-90 per bin) are red and the lowest densities (one per bin) are dark blue. The binning is 0.017$\times$0.025 in the left panel, 0.013$\times$0.008 in the right. The synthetic unreddened main sequence is drawn in, in black, in both panels. The G0V and A3V reddening lines obtained for $R=3.1$, drawn as black dashed lines, are included in respectively the $(u-g,g-r)$ and $(r-H\alpha,r-i)$ diagrams as useful aids to interpretation. ## 6 An example of point-source photometry derived from a VPHAS+ field The extracted point-source photometry from the VST square-degree field is one of the two main data products from VPHAS+ – the other being the images themselves, considered below in section 7. We present an example of the two essential colour-colour diagrams in fig 20, in which band-merged stellar photometry for field 1679 is compared with the primary diagnostic synthetic tracks presented in section 4. This field includes the sky area from which data were taken to construct fig 6 illustrating typical errors. The massive open cluster, Westerlund 2, is located in the NE of these pointings, and the field as a whole includes moderate levels of diffuse, complex Hii emission. The data presented are drawn from a sky area centred on RA 10 24 49 Dec -57 58 00 (J2000) that spans 1.3 sq.deg – the total footprint occupied by the two offset positions. Only objects with stellar point-spread functions in $g$, $r$ and $i$, brighter than $g=20$ are included in fig 20. Where two sets of magnitudes are available, the mean values have been computed and used. A further requirement imposed is that the random error in all bands may not exceed 0.1. The same $\sim$37000 objects are included in both diagrams. In order to obtain the diagrams shown, the pipeline photometric calibration was checked and refined as follows: we * • cross-matched brighter stars to APASS $g$, $r$ and $i$ photometry * • computed the median magnitude offset (applying no colour corrections – it was shown in fig 19 these are modest) * • corrected all $g$, $r$ and $i$ for these offsets; * • corrected $u$ by determining the vertical shift needed in the $(u-g,g-r)$ diagram to align the main stellar locus with the unreddened main sequence and the G0V reddening line * • corrected the $H\alpha$ zeropoint and hence all $H\alpha$ magnitudes according to the requirement that $zpt(H\alpha)=zpt(r)-3.01$. This resulted in the following broadband corrections:- $\Delta i=-0.004$, $\Delta r=-0.032$ (red filter set), $\Delta r=-0.033$ (blue filter set), $\Delta g=0.069$ and $\Delta u=-0.31$. As expected, the correction that had to be applied to the $u$ photometry was, by far, the largest. The main stellar locus can be seen to be tightly concentrated in both the blue and the red diagrams, and to favour lightly reddened G and K stars. The superimposed synthetic reddening lines (G0V in the $(u-g,g-r)$ diagram, A3V in $(r-H\alpha,r-i)$) have been drawn adopting the $R=3.1$ reddening law widely regarded as the Galactic norm. The blue diagram provides examples of three distinct typical populations falling outside the main stellar locus. Below it, at $(u-g)>1.5$ and $(g-r)>1.5$ (roughly) the plotted objects will mainly be M giants. Above the main stellar locus toward the red end, in the ranges $0<(u-g)<0.5$ and $1.5<(g-r)<2.0$ lie the OB stars in and around Westerlund 2. Finally, the modest scatter of blue objects lying above the G0V line roughly in the $0\leq(g-r)\leq 1$ range will include intrinsically-blue lightly- reddened subluminous objects. It is interesting to note in the red diagram that there is some evidence that early-A stars making up the lower edge of the main stellar locus would better follow a different law, with $R\sim 3.8$ (see the tables in the Appendix). Indeed a reddening law of this type has been inferred for the OB stars in Westerlund 2 by Vargas Alvarez et al (2013). Most of the thin scatter of points below the main stellar locus, and some of the scatter above, in this same diagram will be the product of inaccurate background subtraction in H$\alpha$. But many of the objects lying above the main stellar locus will indeed be emission line objects, and some of the stars below will be white dwarfs. As expected, the red spurs of M dwarfs and M giants are broader features than their IPHAS counterparts (cf fig 17 and associated remarks). For more discussion of these colour-colour diagrams, the reader is referred to Groot et al (2009, UVEX) and Drew et al (2005, IPHAS). Figure 21: Two planetary nebulae, NGC 2438 (top) and NGC 2899 (bottom), as they appear in the SHS and VPHAS+ surveys. The SHS images are shown in the left-hand panels, with the VPHAS+ images to the right. The bands used to form them are: NGC 2438 – SHS R/G/B = $H\alpha$/SR/SSS Bj, VPHAS+ R/G/B = $H\alpha$/$r$/$i$, NGC 2899 – SHS R/G/B = $H\alpha$/SR/SSS Bj, VPHAS+ R/G/B = $H\alpha$/$r$/$g$. The cut-out image dimensions are 300$\times$300 arcsec2 for NGC 2438, and 200$\times$180 arcsec2 for NGC 2899. ## 7 Nebular astrophysics with VPHAS+ images Just over a decade ago the SuperCOSMOS H$\alpha$ Survey (SHS, Parker et al 2005) had only just completed. This was the last survey using photographic emulsions that the UK Schmidt Telescope undertook. The 3-hour narrowband H$\alpha$ filter exposures reach a very similar limiting surface brightness to the 2 minute exposures VPHAS+ is built around. Hence, the differences in capability are not about sensitivity, as this is roughly the same in the two surveys. Instead it is about the great improvement in dynamic range on switching to digital detectors, the good seeing of the VST’s Paranal site, and the added broad bands. SHS, with its enormous 5-degree diameter field, has been comprehensively trawled for southern planetary nebulae (the MASH catalogue, Parker et al 2006, Miszalski et al 2008). The remaining discovery space for resolved nebulae is expected to be at low surface brightnesses in locations of high stellar density, and in the compact domain around and below the limits of the typical spatial resolution of SHS ($\sim 0.5$ to 3.0 arcsec). Both these conditions will most often be met in the Galactic Bulge, at a mean distance of $\sim$8 kpc. Data-taking in the Bulge and its maximally-dense star fields is planned to begin in mid 2014. Among planetary nebulae (PNe), small angular size is due either to great distance or to youth – the study of either compact category provides exciting possibilities. As well as the Bulge, the less-studied outer parts of the Galactic Plane should be searched. In this respect, IPHAS, with its direct view to the Galactic Anticentre is better positioned: the ongoing study of the Anticentre PN population has revealed dozens of new candidates (Viironen et al. 2009a), including the PN with the largest galactocentric distance to date (20.8 $\pm$ 3.8 kpc, Viironen et al 2011). By following up such finds to measure chemical abundances, crucial beacons are obtained for the study of the Galactic abundance gradient and its much disputed flattening towards the largest galactocentric radii. VPHAS+ completed the access to the outer Plane over the longitude range $215^{\circ}<\ell<270^{\circ}$. Data from both IPHAS and VPHAS+ can make fundamental contributions to the study of very young PNe – particularly by helping to solve the two-decades-old puzzle of how PNe already emerge with the observed wide variety of morphologies (round, elliptical, bipolar, multipolar, point-symmetric, etc. – see Sahai et al. 2011). What does this variety say about the properties of their AGB progenitors? Detailed studies of objects in the phases preceding the PN phase – AGB and post-AGB stars, proto-PNe, and transition or PN-nascent objects – are underway (e.g. Sanchez Contreras & Sahai 2012). Superb imaging capabilities like those of the VST, accessed via VPHAS+, will support this work. Indeed there is a serious paucity of very small PNe in the existing optical catalogues: there are no PNe with angular extent less than 3 arcsec in the MASH catalogue (out of 903 objects; Parker et al 2006), and only 8 PNe in the catalogue by Tylenda et al (2003, 312 objects) in the size range 1.4 – 3 arcsec. There is just one with a confidently-measured diameter below 1 arcsec in the larger Strasbourg Catalogue of PNe (1143 objects; Acker et al. 1994), that happens to be a Bulge PN. IPHAS has demonstrated that extremely young compact PNe can be reached (Viironen et al, 2009b), while Sabin et al (in prep.) have found some 20 new PNe with diameters of 1-3 arcsec in by-eye searchs of IPHAS image mosaics. Even smaller, but brighter, nebulae around symbiotic stars of the dusty D subtype are emerging – the record so far being IPHASJ193943.36+262933.1, a new D symbiotic star with an $H\alpha$ extent of only 0.12 arcsec that has been confirmed via HST imaging and recently studied with the 10.4m GTC telescope (Rodriguez Flores et al. 2014, submitted to A&A). Apart from opening up new discoveries, a further benefit of good seeing is the clearer view of nebular structure that it offers. This is nicely demonstrated in fig 21. SHS and VPHAS+ detect the main features of the planetary nebulae NGC 2438 and NGC 2899 to very similar depth – for example, the fainter outer halo is just detected in both versions of NGC 2438. But, evidently, the VPHAS+ images better resolve the fine sculpting within both nebulae as a consequence of the seeing FWHM being under a half that prevailing in SHS data. The extended dynamic range of VPHAS+ helps in this respect, too, in that early saturation also obliterates detail. This advantage is especially clear in the images of NGC 2899, where the structure in the bright nebulous lobes is preserved in VPHAS+, but is entirely bleached out in SHS. The more the level of detail that can be picked out, the more certain and subtle morphological classifications and interpretations can become. The combination of good seeing and high dynamic range also makes the separation of fainter stars from background nebulosity much easier. This capability is critically important to the study of the young massive clusters, still swathed in diffuse Hii emission, where the analysis of stellar content is very much a focus of continuing research. For example, Feigelson et al (2013) have offered a critique of the nuisance created by spatially-complex nebulosity. The obvious answer to this and the problem of dust obscuration is to turn to selection using NIR and X-ray data. Nevertheless the availability of imaging data of the high quality seen in VPHAS+ data will make it possible to extend SEDs for many more stars into the effective-temperature (and reddening) sensitive optical domain. In addition, understanding the shaping of the interstellar medium in star-forming environments remains an important part of the picture (see e.g. Wright et al 2012 on proplyd-like structures in Cyg OB2). The detail that the VST is capable of revealing both in obscuration and ionised hydrogen in star-forming regions can be quite exquisite. Here, in fig 22, we illustrate this with an excerpt from VPHAS+ data on the Lagoon Nebula, showing the fine tracing of the shapes of dark globules and eroding dusty structures that is achieved. Figure 22: A cut-out at full resolution from M8, the Lagoon Nebula. This is an RGB image centred on RA 18 09 36 Dec -24 01 51 (J2000), and spanning 150$\times$150 arcsec2. The filters are combined such that R/G/B = $H\alpha$/$i$/$r$. Figure 23: The central star of NGC 2899 reveals itself. The top panel is a 1$\times$1 arcmin2 thumbnail of the centre of NGC 2899 as imaged through the $u$ filter, while the bottom is the corresponding $r$ thumbnail. The white right-angled bars pick out the position of an extremely blue, relatively faint star that is clearly present in all $u$ (and $g$) exposures obtained, but is too faint for detection in $r$. In planetary and other evolved-star nebulae it is of course important to identify the ionising object. The search for missing PN central stars is a quest that VPHAS+ can aid greatly through the provision of spatially well- resolved $u$ and $g$ data. Indeed inspection of the data used to contruct fig 21 has revealed the probable central star of NGC 2899 for the first time. As shown in fig 23, there is very evidently a third very-blue star just SW of the pair of stars that have, in the past, been scrutinised as possible companions to what is required to be an extremely hot ($T_{eff}>250,000$ K), but probably faint central star (López et al 1991). This blue object was detected on the night of 20th December 2012 at a provisional $u$ magnitude of 18.79 $\pm 0.02$. It fades through $g$ (19.36 $\pm 0.02$) to become undetected by the pipeline, and scarcely visible to eye inspection, in $r$. Its coordinates are RA 09 27 02.72 Dec -56 -06 22.9 (J2000), just 1.7 arcsec from the more southerly of the pair of brighter stars examined before by López et al (1991). Based on the $g$ magnitude and an inferred $V$ flux, we have determined the central star’s effective temperature, via the well-established Zanstra method. Using the reddening and integrated H$\alpha$ flux from López et al and Frew, Bojičić & Parker (2013) respectively, we estimate $T_{\rm z,H}=215\pm 16$ kK. This is cooler than the temperature given by López et al, based on the ’crossover’ method, but still extraordinarily hot for a central star well down the white-dwarf cooling track. It was one of the major science drivers for the merged VPHAS+ survey that $u$ data, supported by $g$, would result in the detection of a broad range of intrinsically very blue objects – be they PN central stars, interacting binaries or massive OB and Wolf-Rayet stars. An extreme example like NGC 2899’s central star provides the useful lesson that selection via the $u-g,g-r$ colour-colour diagram would have failed to pick it out – because of the non-detection in $r$. In a case like this, the $u,u-g$ colour-magnitude diagram has to be examined, in tandem with the appropriate images. ## 8 VPHAS+ photometry as a reference set for variability studies As the northern survey, IPHAS, has progressed over the decade since 2003, there have been occasions on which it was possible to use the growing database as a high-quality reference for checking transient reports – particularly of novae. The most spectacular IPHAS example of this was the nova and variable, V458 Vul (Wesson et al 2008; Rodriguez-Gil et al 2010) where the eruption occurred a few months after obtaining H$\alpha$ images revealing a pre- existing ionised nebula around the star. Indeed there have been several instances in which photometry of the progenitor object has been extracted from the IPHAS database and has been used to gain insight into the prior presence or absence of line emission or to set constraints on likely extinction (Steeghs et al 2007, Greimel et al 2012). Such opportunities will certainly arise with VPHAS+ – and be richer given the five filters offered. In the southern hemisphere novae will be more frequent, as will other transient events. Furthermore responses to alerts, or the need to demonstrate long-term flux variations, can bring into use repeats of observations made necessary by initial quality-control failures. An example of this is provided by Vink et al (2008) who used repeat IPHAS observations – taken on account of poor observing conditions – to discuss the LBV candidacy of G79.29$+$0.46. With the increased attention being given to the reporting and exploitation of transient objects (including the forthcoming Gaia alerts programme), this use of VPHAS+ will become more common. ## 9 Summary and concluding remarks This paper has introduced and defined VPHAS$+$, the VST Photometric $H\alpha$ Survey of the Southern Galactic Plane and Bulge. The data taking, the rationale behind it, the data processing and data quality have all been described. The properties and limitations of the survey’s narrowband H$\alpha$ filter, NB-659, have been laid out and simulated in order to anticipate its performance. In addition we have provided tables of the expected photometric colours of normal solar-metallicity stars to aid the interpretation of the survey’s characteristic photometric diagrams – most are to be found in the Appendix where the effect of changing the adopted reddening law is illustrated. The VPHAS+ H$\alpha$ filter transmission is redder, wider and $\sim 20$ % higher-throughput than its IPHAS counterpart – a difference that feeds through to noticeably different $(r-H\alpha)$ colours for M stars. We have validated the photometry that is delivered by VST/OmegaCAM and subsequently pipelined at CASU, using test data taken of a field for which SDSS photometry is available. We find the agreement is satisfactory, with the $g$, $r$ and $i$ band calibrations differing by between 0.01 to 0.05 magnitudes. However, for the time being, the pipeline calibration should be regarded as provisional – it will undoubtedly improve. Examples of the excellent imaging performance of the VST/OmegaCAM combination relative to previous surveys have been provided, and we draw attention to the valuable archival role this first digital survey can fulfill in supporting discoveries of transient sources. Exploitation of the survey is now beginning. The detection of a compact ionized nebula around W26, the extreme M supergiant in Westerlund 1 has already been published (Wright et al 2014). Applications have been made for follow-up spectroscopy that will test the quality of selection of specialised object types that VPHAS+ photometry makes possible. Progress is also being made via direct analyses of the photometry. For example, Mohr-Smith et al (in prep.) are conducting a search for OB stars in the vicinity of the massive cluster Westerlund 2, and they are finding a close match between the properties of known cluster O stars as derived from VPHAS+ data and those inferred by Vargas Alvarez et al (2013, see also Drew et al 2013). This and other early appraisals of the data indicate that VPHAS+ will be an excellent vehicle for automated searches for reddened early-type stars. Kalari et al (in prep.) are employing both narrow-band H$\alpha$ and the broadbands to measure mass-accretion rates in pre-main-sequence stars: they are finding that H$\alpha$ mass-accretion rates in T Tauri stars compare favourably to rates determined from the $u$ band in the case of the Lagoon Nebula, NGC 6530. As the calibration of the survey data improves, the measurement of accurate integrated H$\alpha$ fluxes for many faint southern PNe and other extended objects becomes possible, and will extend the work of Frew et al (2013, 2014). In due course these fluxes can be compared with existing and also new radio continuum fluxes coming on stream (see e.g. Norris et al 2011) in order to determine reliable extinction values for many faint nebulae currently lacking data. This technique has already been applied to the case of W26 in Westerlund 1 (Wright et al 2014). When it becomes possible to cross-match VVV and VPHAS$+$ data, it will open up the power of homogeneous photometric mapping of the central parts of the Galactic Plane in up to 10 photometric bands spanning both the optical and the near-infrared. Beyond the VVV sky area, there is a synergy to be exploited in bringing VPHAS+ data together with those of the all-sky 2MASS survey (Skrutskie et al 2006) and with the UKIDSS Galactic Plane Survey (Lucas et al 2008), in those parts of the first and third Galactic quadrants the latter has covered. It is worth noting, however, that 2MASS alone is too shallow to link effectively with VPHAS+ for sightlines where the integrated visual extinction is less than $\sim 5$ magnitudes. This does mean that the longitude range $230^{\circ}<\ell<300^{\circ}$, in particular, is presently lacking sufficiently deep NIR photometry. In the longer term, many of the sources of interest that VPHAS+ finds will benefit from accurate parallaxes and other data from ESA’s Gaia mission – given the similar sensitivity limits reached. Conversely in the meantime, VPHAS+ has already begun to assist ambitious wide- field spectroscopy programmes such as the Gaia-ESO Survey (Gilmore et al 2012) through the provision of the wide-field photometry needed for target selection and field setup. By the end of 2013, 25% of all observations making up the survey had been obtained to the required quality, and in May 2013 a first release of single- band catalogues was made to the ESO archive that contained roughly 10% of the eventual total (based on data obtained prior to 15 October 2012). By design, the characteristics of VPHAS+ are similar to those of the IPHAS and UVEX Galactic plane survey pair in the north. In particular, the double-pass strategy is shared, with the result that the majority of detected objects are picked up and measured twice, with no more than $\sim$0.1 percent of objects missed altogether. This feature has informed the way in which the IPHAS DR2 catalogue (Barentsen et al, 2014) has been constructed – and it is intended that a first band-merged VPHAS+ catalogue, for public release, will be built along analogous lines during the second half of 2014. This will incorporate data from the first 3 seasons of VST observing, and give a complete photometric account of the Galactic mid-plane. For ease of use, for every detected source, the catalogue will provide a single recommended set of magnitudes in up to 5 optical bands. ## Acknowledgments This paper makes use of public survey data (programme 177.D-3023) obtained via queue observing at the European Southern Observatory. In respect of the H$\alpha$ filter, we would very much like to thank Bernard Muschielok for the benefit of his expertise and support in connection with its laboratory testing, and Jean-Louis Lizon for his steady hand in correcting some minor surface defects. The referee of this paper is thanked for constructive comments that improved its content. This research made use of the AAVSO Photometric All-Sky Survey (APASS), funded by the Robert Martin Ayers Sciences Fund. Many elements of the data analysis contained in this work have been eased greatly by the TOPCAT package created and maintained by Mark Taylor (Taylor, 2005). The pipeline reduction also makes significant use of data from the Two Micron All Sky Survey (2MASS), which is a joint project of the University of Massachusetts and the Infrared Processing and Analysis Center/California Institute of Technology, funded by NASA and the NSF. JED and GB acknowledge the support of a grant from the Science & Technology Facilities Council of the UK (STFC, ref ST/J001335/1). The research leading to these results has also benefitted from funding from the European Research Council under the European Union’s Seventh Framework Programme (FP/2007-2013) / ERC Grant Agreement n. 320964 (WDTracer). BTG was also supported in part by the UK STFC (ST/I001719/1). RLMC and AMR acknowledge funding from the Spanish AYA2007-66804 and AYA2012-35330 grants. HJF and MM-S both acknowledge STFC postgraduate studentships. NJW is in receipt of a Royal Astronomical Society Fellowship. RW acknowledges funding from the Marie Curie Actions of the European Commission (FP7-COFUND). ## References * [Abazajian et al2009] Abazajian K. N., et al., 2009, ApJS, 182, 543 * [Acker et al1994] Acker A., Ochsenbein F., Stenholm B., et al. 1994, VizieR Online Data Catalog, 5084, 0 * [Barentsen et al2011] Barentsen G., et al., 2011, MNRAS, 415, 103 * [Barentsen et al2014] Barentsen G., et al., 2014, in preparation * [Beaulieu et al2000] Beaulieu S. F., Freeman K. C., Kalnajs A. J., Saha P., Zhao H. 2000, AJ, 120, 855 * [Bohlin & Gilliland2004] Bohlin R. C., Gilliland R. L., 2004, AJ, 127, 3508 * [Corradi et al2010] Corradi R. L. M., et al., 2010, A&A, 509, 41 * [Dopita & Hua1997] Dopita M. A., Hua C. 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J., et al., 2014, MNRAS, 437, L1 ## Appendix A Synthetic colour reddening tables Synthetic colours for main sequence stars, computed as described in Section 4, are tabulated in full in an online supplement for three representative reddening laws ($R_{V}=2.5$, 3.1 and 3.8) and a range of reddenings ($A_{0}=0$, 2, 4, 6, 8, 10). The form of the reddening laws used is due to Fitzpatrick & Massa (2007). As an example of the tables available we include excerpts from the second and fifth tables that respectively provide $R_{V}=3.1$ blue-filter and red-filter colours for B,A main-sequence stars. Two further tables of synthetic colours are included in the supplement for K-M giants that have been computed using P98 library spectra. Data are provided for the $R=3.1$ mean Galactic law only, for the limited purposes of (a) giving an impression of how these luminous red objects may contaminate $(u-g,g-r)$ diagrams at redder $(g-r)$ through $u$ red leak (b) enabling comparisons with the M-giant spur commonly seen in $(r-H\alpha,r-i)$ colour-colour diagrams. Table 6: VST/OmegaCAM synthetic colours for B,A main-sequence stars in the $(u-g),(g-r)$ plane reddened with an $R_{V}=3.1$ extinction law. (Full table online.) Spectral | $A_{0}=0$ | $A_{0}=2$ | $A_{0}=4$ | $A_{0}=6$ | $A_{0}=8$ ---|---|---|---|---|--- Type | $(u-g)$ | $(g-r)$ | $(u-g)$ | $(g-r)$ | $(u-g)$ | $(g-r)$ | $(u-g)$ | $(g-r)$ | $(u-g)$ | $(g-r)$ $B0V$ | $-1.433$ | $-0.271$ | $-0.692$ | $0.529$ | $0.087$ | $1.301$ | $0.891$ | $2.050$ | $1.632$ | $2.777$ $B1V$ | $-1.324$ | $-0.240$ | $-0.584$ | $0.558$ | $0.195$ | $1.329$ | $0.995$ | $2.076$ | $1.719$ | $2.802$ $B2V$ | $-1.209$ | $-0.218$ | $-0.470$ | $0.579$ | $0.307$ | $1.350$ | $1.104$ | $2.096$ | $1.808$ | $2.821$ $B3V$ | $-1.053$ | $-0.186$ | $-0.315$ | $0.610$ | $0.460$ | $1.379$ | $1.250$ | $2.125$ | $1.923$ | $2.849$ $B5V$ | $-0.828$ | $-0.139$ | $-0.092$ | $0.655$ | $0.680$ | $1.423$ | $1.460$ | $2.166$ | $2.080$ | $2.890$ $B6V$ | $-0.728$ | $-0.121$ | $0.007$ | $0.672$ | $0.776$ | $1.439$ | $1.550$ | $2.182$ | $2.144$ | $2.905$ $B7V$ | $-0.580$ | $-0.100$ | $0.152$ | $0.692$ | $0.918$ | $1.458$ | $1.682$ | $2.200$ | $2.234$ | $2.922$ $B8V$ | $-0.388$ | $-0.076$ | $0.340$ | $0.714$ | $1.101$ | $1.478$ | $1.850$ | $2.219$ | $2.344$ | $2.940$ $B9V$ | $-0.198$ | $-0.046$ | $0.528$ | $0.742$ | $1.285$ | $1.504$ | $2.019$ | $2.244$ | $2.445$ | $2.964$ $A0V$ | $-0.053$ | $-0.005$ | $0.675$ | $0.780$ | $1.431$ | $1.540$ | $2.153$ | $2.277$ | $2.514$ | $2.995$ $A1V$ | $-0.019$ | $0.005$ | $0.709$ | $0.790$ | $1.464$ | $1.550$ | $2.181$ | $2.287$ | $2.525$ | $3.005$ $A2V$ | $0.021$ | $0.025$ | $0.749$ | $0.809$ | $1.505$ | $1.568$ | $2.217$ | $2.304$ | $2.538$ | $3.021$ $A3V$ | $0.038$ | $0.059$ | $0.771$ | $0.840$ | $1.531$ | $1.597$ | $2.241$ | $2.332$ | $2.541$ | $3.048$ $A5V$ | $0.067$ | $0.125$ | $0.805$ | $0.904$ | $1.567$ | $1.658$ | $2.269$ | $2.390$ | $2.523$ | $3.105$ $A7V$ | $0.044$ | $0.199$ | $0.788$ | $0.975$ | $1.554$ | $1.726$ | $2.252$ | $2.456$ | $2.474$ | $3.169$ Table 7: VST/OmegaCAM synthetic colours for B,A main-sequence stars in the $(r-i),(r-H\alpha)$ plane reddened with an $R_{V}=3.1$ extinction law. (Full table online.) Spectral | $A_{0}=0$ | $A_{0}=2$ | $A_{0}=4$ | $A_{0}=6$ | $A_{0}=8$ | $A_{0}=10$ ---|---|---|---|---|---|--- Type | $(r-i)$ | $(r-H\alpha)$ | $(r-i)$ | $(r-H\alpha)$ | $(r-i)$ | $(r-H\alpha)$ | $(r-i)$ | $(r-H\alpha)$ | $(r-i)$ | $(r-H\alpha)$ | $(r-i)$ | $(r-H\alpha)$ $B0V$ | $-0.150$ | $0.054$ | $0.278$ | $0.198$ | $0.694$ | $0.316$ | $1.100$ | $0.409$ | $1.496$ | $0.478$ | $1.884$ | $0.526$ $B1V$ | $-0.136$ | $0.048$ | $0.291$ | $0.192$ | $0.708$ | $0.310$ | $1.114$ | $0.403$ | $1.510$ | $0.472$ | $1.898$ | $0.519$ $B2V$ | $-0.123$ | $0.045$ | $0.304$ | $0.188$ | $0.721$ | $0.306$ | $1.126$ | $0.398$ | $1.523$ | $0.466$ | $1.911$ | $0.513$ $B3V$ | $-0.104$ | $0.044$ | $0.323$ | $0.186$ | $0.740$ | $0.303$ | $1.145$ | $0.394$ | $1.541$ | $0.462$ | $1.929$ | $0.508$ $B5V$ | $-0.077$ | $0.039$ | $0.349$ | $0.180$ | $0.765$ | $0.295$ | $1.170$ | $0.386$ | $1.566$ | $0.452$ | $1.954$ | $0.497$ $B6V$ | $-0.068$ | $0.036$ | $0.358$ | $0.177$ | $0.774$ | $0.291$ | $1.179$ | $0.381$ | $1.575$ | $0.448$ | $1.963$ | $0.492$ $B7V$ | $-0.057$ | $0.029$ | $0.369$ | $0.170$ | $0.785$ | $0.284$ | $1.190$ | $0.374$ | $1.586$ | $0.440$ | $1.973$ | $0.484$ $B8V$ | $-0.045$ | $0.018$ | $0.382$ | $0.158$ | $0.797$ | $0.272$ | $1.202$ | $0.362$ | $1.598$ | $0.427$ | $1.985$ | $0.471$ $B9V$ | $-0.028$ | $0.006$ | $0.398$ | $0.145$ | $0.813$ | $0.259$ | $1.218$ | $0.348$ | $1.614$ | $0.413$ | $2.001$ | $0.456$ $A0V$ | $-0.009$ | $-0.005$ | $0.418$ | $0.133$ | $0.833$ | $0.246$ | $1.238$ | $0.334$ | $1.633$ | $0.399$ | $2.020$ | $0.441$ $A1V$ | $-0.003$ | $-0.003$ | $0.423$ | $0.135$ | $0.838$ | $0.248$ | $1.243$ | $0.335$ | $1.638$ | $0.399$ | $2.025$ | $0.442$ $A2V$ | $0.006$ | $-0.004$ | $0.432$ | $0.134$ | $0.847$ | $0.247$ | $1.251$ | $0.334$ | $1.646$ | $0.397$ | $2.033$ | $0.439$ $A3V$ | $0.021$ | $-0.008$ | $0.446$ | $0.130$ | $0.861$ | $0.241$ | $1.265$ | $0.328$ | $1.660$ | $0.391$ | $2.047$ | $0.432$ $A5V$ | $0.051$ | $0.005$ | $0.476$ | $0.141$ | $0.890$ | $0.250$ | $1.293$ | $0.335$ | $1.687$ | $0.396$ | $2.073$ | $0.436$ $A7V$ | $0.083$ | $0.027$ | $0.507$ | $0.160$ | $0.920$ | $0.268$ | $1.322$ | $0.350$ | $1.716$ | $0.410$ | $2.101$ | $0.448$
arxiv-papers
2014-02-27T19:11:07
2024-09-04T02:49:59.033440
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "J. E. Drew, E. Gonzalez-Solares, R. Greimel, M. J. Irwin, A. Kupcu\n Yoldas, J. Lewis, G. Barentsen, J. Eisloeffel, H. J. Farnhill, W. E. Martin,\n J. R. Walsh, N. A. Walton, M. Mohr-Smith, R. Raddi, S. E. Sale, N. J. Wright,\n P. Groot, M. J. Barlow, R. L. M. Corradi, J. J. Drake, J. Fabregat, D. J.\n Frew, B. T. Gaensicke, C. Knigge, A. Mampaso, R. A. H. Morris, T. Naylor, Q.\n A. Parker, S. Phillipps, C. Ruhland, D. Steeghs, Y.C. Unruh, J. S. Vink, R.\n Wesson, A. A. Zijlstra", "submitter": "Janet Drew", "url": "https://arxiv.org/abs/1402.7024" }
1402.7058
also at ]Jawaharlal Nehru Centre For Advanced Scientific Research, Jakkur, Bangalore, India. # Statistical Properties of the Intrinsic Geometry of Heavy-particle Trajectories in Two-dimensional, Homogeneous, Isotropic Turbulence Anupam Gupta [email protected] Department of Physics, University of “Tor Vergata”, Via della Ricerca Scientifica 1, 00133 Rome, Italy Centre for Condensed Matter Theory, Department of Physics, Indian Institute of Science, Bangalore 560012, India Dhrubaditya Mitra [email protected] NORDITA, Royal Institute of Technology and Stockholm University, Roslagstullsbacken 23, SE-10691 Stockholm, Sweden Prasad Perlekar [email protected] TIFR Centre for Interdisciplinary Sciences, 21 Brundavan Colony, Narsingi, Hyderabad 500075, India Rahul Pandit [email protected] [ Centre for Condensed Matter Theory, Department of Physics, Indian Institute of Science, Bangalore 560012, India ###### Abstract We obtain, by extensive direct numerical simulations, trajectories of heavy inertial particles in two-dimensional, statistically steady, homogeneous, and isotropic turbulent flows, with friction. We show that the probability distribution function $\mathcal{P}(\kappa)$, of the trajectory curvature $\kappa$, is such that, as $\kappa\to\infty$, $\mathcal{P}(\kappa)\sim\kappa^{-h_{\rm r}}$, with $h_{\rm r}=2.07\pm 0.09$. The exponent $h_{\rm r}$ is universal, insofar as it is independent of the Stokes number ${\rm St}$ and the energy-injection wave number $k_{\rm inj}$. We show that this exponent lies within error bars of their counterparts for trajectories of Lagrangian tracers. We demonstrate that the complexity of heavy-particle trajectories can be characterized by the number $N_{\rm I}(t,{\rm St})$ of inflection points (up until time $t$) in the trajectory and $n_{\rm I}({\rm St})\equiv\lim_{t\to\infty}\frac{N_{\rm I}(t,{\rm St})}{t}\sim{\rm St}^{-\Delta}$, where the exponent $\Delta=0.33\pm 0.02$ is also universal. turbulence, inertial particle, statistical mechanics ###### pacs: 47.27.-i,05.40.-a ††preprint: NORDITA-2014-21 The transport of particles by turbulent fluids has attracted considerable attention since the pioneering work of Taylor tay22 . The study of such transport has experienced a renaissance because (a) there have been tremendous advances in measurement techniques and direct numerical simulations (DNSs) tos+bod09 and (b) it has implications not only for fundamental problems in the physics of turbulence bec+bif+bof+cen+mus+tos06 but also for a variety of geophysical, atmospheric, astrophysical, and industrial problems sha03 ; gra+wan13 ; fal+fou+ste02 ; Arm10 ; Csa73 ; eat+fes94 ; pos+abr02 . It is natural to use the Lagrangian frame of reference fal+gaw+var01 here; but we must distinguish between (a) Lagrangian or tracer particles, which are neutrally buoyant and follow the flow velocity at a point, and (b) inertial particles, whose density $\rho_{p}$ is different from the density $\rho_{f}$ of the advecting fluid. The motion of heavy inertial particles is determined by the flow drag, which can be parameterized by a time scale $\tau_{\rm s}$, whose ratio with the Kolmogorov dissipation time $T_{\eta}$ is the Stokes number ${\rm St}=\tau_{\rm s}/T_{\eta}$; tracer and heavy inertial particles show qualitatively different behaviors in flows; e.g., the former are uniformly dispersed in a turbulent flow, whereas the latter cluster bec+bif+bof+cen+mus+tos06 , most prominently when ${\rm St}\simeq 1$. Differences between tracers and inertial particles have been investigated in several studies tos+bod09 , which have concentrated on three-dimensional (3D) flows and on the clustering or dispersion of these particles. We present the first study of the statistical properties of the geometries of heavy-particle trajectories in two-dimensional (2D), homogeneous, isotropic, and statistically steady turbulence, which is qualitatively different from its 3D counterpart because, if energy is injected at wave number $k_{\rm inj}$, two power-law regimes appear in the energy spectrum $E(k)$ kra+mon80 ; pan+per+ray09 ; bof+eck12 , for wave numbers $k<k_{\rm inj}$ and $k>k_{\rm inj}$. One regime is associated with an inverse cascade of energy, towards large length scales, and the other with a forward cascade of enstrophy to small length scales. It is important to study both forward- and inverse- cascade regimes, so we use $k_{\rm inj}=4$, which gives a large forward- cascade regime in $E(k)$, and $k_{\rm inj}=50$, which yields both forward- and inverse-cascade regimes. For a heavy inertial particle, we calculate the velocity ${\bm{v}}$, the acceleration ${\bm{a}}=d{\bm{v}}/dt$, with magnitude $a$ and normal and tangential components $a_{n}$ and $a_{t}$, respectively. The intrinsic curvature of a particle trajectory is $\kappa=a_{n}/v^{2}$. We find two intriguing results that shed new light on the geometries of particle tracks in 2D turbulence: First, the probability distribution function (PDF) $\mathcal{P}(\kappa)$ is such that, as $\kappa\to\infty$, $\mathcal{P}(\kappa)\sim\kappa^{-h_{\rm r}}$; in contrast, as $\kappa\to 0$, $\mathcal{P}(\kappa)$ has slope zero; we find that $h_{\rm r}=2.07\pm 0.09$ is universal, insofar as they are independent of ${\rm St}$ and $k_{\rm inj}$. We present high-quality data, with two decades of clean scaling, to obtain the values of these exponents, for different values of ${\rm St}$ and $k_{\rm inj}$. We obtain data of similar quality for Lagrangian-tracer trajectories and thus show that $h_{\rm r}$ lies within error bars of its tracer-particle counterpart. Second, along every heavy-particle track, we calculate the number, $N_{\rm I}(t,{\rm St})$, of inflection points (at which ${\bm{a}}\times{\bm{v}}$ changes sign) up until time $t$. We propose that $n_{\rm I}({\rm St})\equiv\lim_{t\to\infty}\frac{N_{\rm I}(t,{\rm St})}{t}$ (1) is a natural measure of the complexity of the trajectories of these particles; and we find that $n_{\rm I}\sim{\rm St}^{-\Delta}$, where the exponent $\Delta=0.33\pm 0.02$ is also universal. We obtain several other interesting results: (a) At short times the particles move ballistically but, at large times, there is a crossover to Brownian motion, at a crossover time $T_{\rm cross}$ that increases monotonically with ${\rm St}$. (b) The PDFs $\mathcal{P}(a)$, $\mathcal{P}(a_{n})$, and $\mathcal{P}(a_{t})$ all have exponential tails. (c) By conditioning $\mathcal{P}(\kappa)$ on the sign of the Okubo-Weiss oku70 ; wei91 ; per+ray+mit+pan11 parameter $\Lambda$, we show that particles in regions of elongational flow ($\Lambda>0$) have, on average, trajectories with a lower curvature than particles in vortical regions ($\Lambda<0$). We write the 2D incompressible Navier-Stokes (NS) equation in terms of the stream-function $\psi$ and the vorticity ${\bm{\omega}}={\bm{\nabla}}\times{\bm{u}}({\bm{x}},t)$, where ${\bm{u}}\equiv(-\partial_{y}\psi,\partial_{x}\psi)$ is the fluid velocity at the point ${\bm{x}}$ and time $t$, as follows: $\displaystyle D_{t}{\bm{\omega}}$ $\displaystyle=$ $\displaystyle\nu\nabla^{2}{\bm{\omega}}-\mu{\bm{\omega}}+F;$ (2) $\displaystyle\nabla^{2}{\bf\psi}$ $\displaystyle=$ $\displaystyle{\bm{\omega}}.$ (3) Here, $D_{t}\equiv\partial_{t}+{\bm{u}}\cdot\nabla$, the uniform fluid density $\rho_{\rm f}=1$, $\mu$ is the coefficient of friction, and $\nu$ the kinematic viscosity of the fluid. We use a Kolmogorov-type forcing $F(x,y)\equiv-F_{0}k_{\rm inj}\cos(k_{\rm inj}y)$, with amplitude $F_{0}$ and length scale $\ell_{\rm inj}\equiv 2\pi/k_{\rm inj}$. (A) For $k<k_{\rm inj}$, the inverse cascade of energy yields $E(k)\sim k^{-5/3}$; and (B) for $k>k_{\rm inj}$, there is a forward cascade of enstrophy and $E(k)\sim k^{-\delta}$, where the exponent $\delta$ depends on the friction $\mu$ (for $\mu=0$, $\delta=3$). We use $\mu=0.01$ and obtain $\delta=-3.6$. The equation of motion for a small, spherical, rigid particle (henceforth, a heavy particle) in an incompressible flow max+ril83 assumes the following simple form, if $\rho_{\rm p}\gg\rho_{\rm f}$ : $\frac{d\bf{x}}{dt}={\bm{v}}(t),\hskip 28.45274pt\frac{d{\bm{v}}}{dt}=-\frac{1}{\tau_{\rm s}}\left[{\bm{v}}(t)-{\bm{u}}(\bf{x}(t),t)\right],$ (4) where $\bf{x}$, ${\bm{v}}$, and $\tau_{\rm s}=(2R_{\rm p}^{2})\rho_{\rm p}/(9\nu\rho_{\rm f})$ are, respectively, the position, velocity, and response time of the particle, and $R_{\rm p}$ is its radius. We assume that $R_{\rm p}\ll\eta$, the dissipation scale of the carrier fluid, and that the particle number density is so low that we can neglect interactions between particles, the particles do not affect the flow, and particle accelerations are so high that we can neglect gravity. In our DNSs we solve simultaneously for several species of particles, each with a different value of ${\rm St}$; there are $N_{\rm p}$ particles of each species. We also obtain the trajectories for $N_{\rm p}$ Lagrangian particles, each of which obeys the equation $d(\bf{x})/dt={\bm{u}}\left[\bf{x}(t),t\right]$. The details of our DNS are given in the Appendix A and parameters in our DNSs are given in Tables(1) and (2) for $12$ representative values of ${\rm St}$ (we have studied $20$ different values of ${\rm St}$). In Fig. (1) we show representative particle trajectories of a Lagrangian tracer (black line) and three different heavy particles with ${\rm St}=0.1$ (red asterisks), ${\rm St}=0.5$ (blue circles), and ${\rm St}=1$ (black squares) superimposed on a pseudocolor plot of ${\bm{\omega}}$. We expect that inertial particles move ballistically in the range $0<t\leq\tau_{\rm s}$; for $t\gg\tau_{\rm s}$, we anticipate a crossover to Brownian behavior, which we quantify by defining the mean-square displacement $r^{2}(t)=\langle({\bf x}(t_{0}+t)-{\bf x}(t_{0}))^{2}\rangle_{t_{0},N_{\rm p}}$, where $\langle\rangle_{t_{0},N_{\rm p}}$ denotes an average over $t_{0}$ and over the $N_{\rm p}$ particles with a given value of ${\rm St}$. Figure (2) contains log-log plots of $r^{2}$ versus $t$, for the representative cases with ${\rm St}=0.1$ (red asterisks) and ${\rm St}=1$ (black squares); both of these plots show clear crossovers from ballistic ($r^{2}\sim t^{2}$) to Brownian ($r^{2}\sim t$) behaviors. We define the crossover time $T_{\rm cross}$ as the intersection of the ballistic and Brownian asymptotes (bottom inset of Fig. (2)). The top inset of Fig. (2) shows that, in the parameter range we consider, $T_{\rm cross}$ increases monotonically with ${\rm St}$. Figure 1: (Color online) Representative particle trajectories of a Lagrangian tracer (black line) and three different heavy particles with ${\rm St}=0.1$ (red asterisks), ${\rm St}=0.5$ (blue circles), and ${\rm St}=1$ (black squares) superimposed on a pseudocolor plot of ${\bm{\omega}}$. For the spatiotemporal evolution of this plot see the animation available at the location http://www.youtube.com/watch?v=lk3iSHhfTuU Figure 2: (Color online) Log-log (base 10) plots of $r^{2}$ versus $t/T_{\rm eddy}$ for ${\rm St}=0.1$ (red triangles), and ${\rm St}=1$ (black squares); top inset: plot of $T_{\rm cross}/T_{\rm eddy}$ versus ${\rm St}$; bottom inset: log-log (base 10) plot of $r^{2}/t$ versus $t/T_{\rm eddy}$ for tracers (blue curve) and linear fits to the small- and large-$t$ asymptotes (dashed lines) with slopes $1$ and $0$ in ballistic and Brownian regimes, respectively; the intersection point of these dashed lines yields $T_{\rm cross}$. (a)(b)(c) Figure 3: (Color online) Plots of PDFs of (a) the modulus of $a$ of the particle acceleration, (b) its tangential component $a_{t}$, and (c) its normal component $a_{n}$ for ${\rm St}=0$ (blue curve), $0.5$ (red curve), $1$ (green curve), and $2$ (black curve). In Fig. (3) we present semilog plots of the PDFs $\mathcal{P}(a)$, $\mathcal{P}(a_{t})$, and $\mathcal{P}(a_{n})$ for some representative values of ${\rm St}$. Clearly, all of these PDFs have exponential tails, i.e., $\mathcal{P}(a,{\rm St})\sim\exp[-a/\alpha({\rm St})]$, $\mathcal{P}(a_{t},{\rm St})\sim\exp[-a_{t}/\alpha_{\rm t}({\rm St})]$, and $\mathcal{P}(a_{n},{\rm St})\sim\exp[-a_{n}/\alpha_{\rm n}({\rm St})]$. As ${\rm St}$ increases, the tails of these PDFs fall more and more rapidly, because the higher the inertia the more difficult is it to accelerate a particle. Hence, $\alpha$, $\alpha_{\rm t}$, and $\alpha_{\rm n}$ decrease with ${\rm St}$ [see Table (2)]. Although these acceleration PDFs have exponential tails, $\mathcal{P}(\kappa)$ shows a power-law behavior as $\kappa\to\infty$, as we have mentioned above. The exponent $h_{\rm r}$ for the right-tail of $\mathcal{P}(\kappa)$ is especially interesting because it characterizes the parts of a trajectory that have large values of $\kappa$. If $\mathcal{P}(\kappa)\sim\kappa^{-h_{\rm r}}$, then its cumulative PDF $\mathcal{Q}(\kappa)\sim\kappa^{-h_{\rm r}+1}$. We obtain an accurate estimate of $h_{\rm r}$ from $\mathcal{Q}$, which we obtain by a rank-order method that does not suffer from binning errors mit05a . We give representative, log-log plots of $\mathcal{Q}$ in Fig. (4), for ${\rm St}=0.1$ (blue asterisks) and ${\rm St}=1$ (red squares); and we determine $h_{\rm r}$ by fitting a straight line to $\mathcal{Q}$ over a scaling range of more than two decades; We plot, in the inset, Fig. (4), the local slope of this scaling range, whose mean value and standard deviation yield, respectively, $h_{\rm r}$ and its error bars. From such plots we find that $h_{\rm r}$ does not depend significantly on ${\rm St}$ [Table (2)]. Furthermore, we find that the Lagrangian analog of $h_{\rm r}$, which we denote by $h_{\rm lagrangian}$, is $2.03\pm 0.09$, i.e., it lies within error bars of $h_{\rm r}$. By analyzing the $\kappa\to 0$ limit of $\mathcal{P}(\kappa)$, we find that $\mathcal{P}(\kappa)\sim A_{0}\kappa^{h_{\rm l}}$, where $A_{0}>0$ is an amplitude and $h_{\rm l}=0.0\pm 0.1$ (the latter is independent of ${\rm St}$); this indicates that there is a nonzero probability that the paths of particles have zero curvature, i.e., they can move in straight lines. The $\kappa\to 0$ limit of $\mathcal{P}(\kappa)$ seems, therefore, to be different from its counterpart for 3D fluid turbulence (see Ref. xu+oue+bod07 for Lagrangian tracers and Ref. akshaypreprint for heavy particles), where $\mathcal{P}(\kappa)\to 0$ as $\kappa\to 0$. Very-high-resolution DNSs for 2D turbulence must be undertaken to probe the $\kappa\to 0$ limit of $\mathcal{P}(\kappa)$ by going to even smaller values of $\kappa$ than we have been able to obtain reliably in our DNS. Figure 4: (Color online) Log-log plots of the cumulative PDFs $\mathcal{Q}(\kappa)$ for ${\rm St}=0.1$ (blue asterisks) and ${\rm St}=1$ (red squares); the inset shows a plot of the local slope of the tail of this cumulative PDF and the two dashed horizontal lines indicate the maximum and minimum values of this local slope in the range we use for fitting the exponent $h_{\rm r}$. A point in a 2D flow is vortical or strain-dominated if the Okubo-Weiss parameter $\Lambda=(1/8)(\omega^{2}-\sigma^{2})$ is, respectively, positive or negative oku70 ; wei91 ; per+ray+mit+pan11 . We now investigate how the acceleration statistics of heavy particles depends on the sign of $\Lambda$ by conditioning the PDFs of $a_{t}$ and $\kappa$ on this sign. In particular, we obtain the conditional PDFs $\mathcal{P}^{+}$ and $\mathcal{P}^{-}$, where the superscript stands for the sign of $\Lambda$. We find, on the one hand, that the tail of $\mathcal{P}^{+}(a_{t})$ falls faster than that of $\mathcal{P}^{-}(a_{t})$ because regions of the trajectory with high tangential accelerations are associated with strain-dominated points in the flow. On the other hand, the right tail of $\mathcal{P}^{+}(\kappa)$ falls more slowly than that of $\mathcal{P}^{-}(\kappa)$, which implies that high- curvature parts of a particle trajectory are correlated with vortical regions of the flow. We give plots of $\mathcal{P}^{+}(a_{t})$, $\mathcal{P}^{+}(\kappa)$, $\mathcal{P}^{-}(a_{t})$, and $\mathcal{P}^{-}(\kappa)$ in the Appendix A. We find that ${\bm{a}}\times{\bm{v}}$ (a pseudoscalar in 2D like the vorticity) changes sign at several inflection points along a particle trajectory. We use the number of inflection points on a trajectory, per unit time, $n_{\rm I}({\rm St})$ (see Eq. (1)) as a measure of its complexity. In Fig. (5) we demonstrate that the limit in Eq. (1) exists by plotting $N_{\rm I}(t,{\rm St})/t$ as a function of $t$ for ${\rm St}=0.1$ (red asterisks) and ${\rm St}=2$ (black triangles); the mean value of $N_{\rm I}(t,{\rm St})/t$, between the two vertical dashed lines in Fig. (5), yields our estimate for $n_{\rm I}({\rm St})$, which is given in the inset as a function of ${\rm St}$ (on a log-log scale); the standard deviation gives the error bars. From this inset of Fig. (5) we conclude that $n_{\rm I}({\rm St})\sim{\rm St}^{-\Delta},$ with $\Delta=0.33\pm 0.05$. This exponent $\Delta$ [Table (1)] is independent of the Reynolds number and $\mu$, within the range of parameters we have explored. Furthermore, $\Delta$ is independent of whether our 2D turbulent flow is dominated by forward or the inverse cascades in $E(k)$, which are controlled by $k_{\rm inj}$. Figure 5: (Color online) Plots of $N_{\rm I}/(t/T_{\rm eddy})$ versus $t/T_{\rm eddy}$ for ${\rm St}=0.1$ (red curve) and ${\rm St}=2$ (black curve); the inset shows a log-log (base 10) plot of $n_{\rm I}$ versus ${\rm St}$ (blue open circles); the black dotted line has a slope $=-1/3$. We have repeated all the above studies with a forcing term that yields an energy spectrum with a significant inverse-cascade part ($k_{\rm inj}=50$); the parameters for this run are given in Table (1) in the Appendix A and in Ref. AGthesis . The dependence of all the tails of the PDFs discussed above and the exponents $h_{\rm l}$ and $h_{\rm r}$ on ${\rm St}$ are similar to those we have found above for $k_{\rm inj}=4$. Earlier studies of the geometrical properties of particle tracks have been restricted to tracers; and they have inferred these properties from tracer velocities and accelerations. For example, the PDFs of different components of the acceleration of Lagrangian particles in 2D turbulent flows has been studied for both decaying wil+kam+fri08 and forced kad+del+bos+sch11 cases; they have shown exponential tails in periodic domains, but, in a confined domain, have obtained PDFs with heavier tails kad+bos+sch08 . The PDF of the curvature of tracer trajectories has been calculated from the same simulations, which quote an exponent $h_{\rm lagrangian}\simeq 2.25$ (but no error bars are given). Our work goes well beyond these earlier studies by (a) investigating the statistical properties of the geometries of the trajectories of heavy particles in 2D turbulent flows for a variety of parameter ranges and Stokes numbers, (b) by introducing and evaluating, with unprecedented accuracy (and error bars), the exponent $h_{\rm r}$, (c) proposing $n_{\rm I}$ as a measure of the complexity of heavy-particle trajectories and obtaining the exponent $\Delta$ accurately, (d) by examining the dependence of all these exponents on ${\rm St}$ and $k_{\rm inj}$, and (e) showing, thereby, that these exponents are universal (within our error bars). Our results imply that $n_{\rm I}({\rm St})$ has a power-law divergence, so the trajectories become more and more contorted, as ${\rm St}\to 0$. This divergence is suppressed eventually, in any DNS, which can only achieve a finite value of $Re_{\lambda}$ because it uses only a finite number of collocation points. Such a suppression is the analog of the finite-size rounding off of divergences, in say the susceptibility, at an equilibrium critical point fssprivman . Note also that the limit ${\rm St}\to 0$ is singular and it is not clear a priori that this limit should yield the same results, for the properties we study, as the Lagrangian case ${\rm St}=0$. We hope that our study will lead to experimental studies and accurate measurements of the exponents $h_{\rm r}$ and $\Delta$, and applications of these in developing a detailed understanding of particle-laden flows in the variety of systems that we have mentioned in the introduction. For 3D turbulent flows, geometrical properties of Lagrangian-particle trajectories have been studied numerically bra+lil+eck06 ; sca11 and experimentally xu+oue+bod07 . However, such geometrical properties have not been studied for heavy particles. The extension of our heavy-particle study to the case of 3D fluid turbulence is nontrivial and will be given in a companion paper akshaypreprint . $Run$ | $N$ | $F_{0}$ | $k_{\rm inj}$ | $\ell_{\rm d}$ | $\lambda$ | $Re_{\lambda}$ | $T_{\rm eddy}$ | $T_{\eta}$ | $T_{\rm inj}$ ---|---|---|---|---|---|---|---|---|--- IA | $1024$ | $0.2$ | $50$ | $1.3\times 10^{-3}$ | $0.06$ | $1219$ | $0.98$ | $0.16$ | $2.94$ FA | $1024$ | $0.005$ | $4$ | $5.4\times 10^{-3}$ | $0.2$ | $1322$ | $7$ | $2.9$ | $30.2$ Table 1: The parameters for our DNS runs: $N^{2}$ is the number of collocation points, $N_{\rm p}=10^{4}$ is the number of Lagrangian or inertial particles, $\delta t$ the time step, $\nu=10^{-5}$ the kinematic viscosity, and $\mu=0.01$ the air-drag-induced friction, $F_{0}$ the forcing amplitude, $k_{\rm inj}$ the forcing wave number, $l_{d}\equiv(\nu^{3}/\varepsilon)^{1/4}$ the dissipation scale, $\lambda\equiv\sqrt{\nu E/\varepsilon}$ the Taylor microscale, $Re_{\lambda}=u_{\rm rms}\lambda/\nu$ the Taylor-microscale Reynolds number, $T_{eddy}=(\frac{\sum_{k}E(k)/k}{\sum_{k}E(k)})/u_{rms}$ the eddy-turn-over time, and $T_{\eta}\equiv\sqrt{(\nu/\varepsilon)}$ the Kolmogorov time scale. $T_{\rm inj}\equiv(\ell_{\rm inj}^{2}/E_{\rm inj})^{1/3}$ is the energy-injection time scale, where $E_{\rm inj}=<{\bf f_{\rm u}}\cdot{\bm{u}}>$, is the energy-injection rate, $\ell_{\rm inj}=2\pi/k_{\rm inj}$ is the energy-injection length scale, and ${\bm{f}}_{\omega}=\nabla\times{\bm{f}}_{\rm u}$. $Run$ | ${\rm St}$ | $\alpha$ | $\alpha_{\rm t}$ | $\alpha_{\rm n}$ | $h_{\rm r}$ ---|---|---|---|---|--- F1 | $0.1$ | $0.86\pm 0.07$ | $1.45\pm 0.07$ | $0.86\pm 0.07$ | $2.03\pm 0.08$ F2 | $0.2$ | $0.96\pm 0.06$ | $1.66\pm 0.07$ | $0.97\pm 0.06$ | $2.0\pm 0.1$ F3 | $0.3$ | $1.11\pm 0.07$ | $1.87\pm 0.07$ | $1.12\pm 0.06$ | $2.0\pm 0.1$ F4 | $0.4$ | $1.43\pm 0.07$ | $2.15\pm 0.07$ | $1.36\pm 0.09$ | $2.04\pm 0.09$ F5 | $0.5$ | $1.56\pm 0.08$ | $2.27\pm 0.08$ | $1.45\pm 0.09$ | $2.0\pm 0.1$ F6 | $0.6$ | $1.66\pm 0.08$ | $2.36\pm 0.09$ | $1.6\pm 0.1$ | $2.02\pm 0.09$ F7 | $0.7$ | $1.88\pm 0.09$ | $2.51\pm 0.09$ | $1.61\pm 0.09$ | $2.06\pm 0.09$ F8 | $0.8$ | $2.22\pm 0.08$ | $2.73\pm 0.09$ | $1.90\pm 0.09$ | $2.01\pm 0.08$ F9 | $0.9$ | $2.6\pm 0.1$ | $2.9\pm 0.1$ | $2.0\pm 0.1$ | $2.0\pm 0.1$ F10 | $1.0$ | $2.6\pm 0.1$ | $3.3\pm 0.1$ | $2.17\pm 0.09$ | $2.0\pm 0.1$ F11 | $1.5$ | $3.9\pm 0.1$ | $4.3\pm 0.1$ | $3.3\pm 0.1$ | $2.1\pm 0.1$ F12 | $2.0$ | $4.5\pm 0.1$ | $4.7\pm 0.1$ | $3.8\pm 0.1$ | $2.0\pm 0.1$ Table 2: The values of $\alpha$, $\alpha_{\rm n}$, and $\alpha_{\rm t}$ and the exponent $h_{\rm r}$ for the case $k_{\rm inj}=4$ and for different values of ${\rm St}$. ## I Acknowledgments We thank A. Bhatnagar, A. Brandenburg, B. Mehlig, S.S. Ray, and D. Vincenzi for discussions, and particularly A. Niemi, whose study of the intrinsic geometrical properties of polymers poly11 , inspired our work on particle trajectories. The work has been supported in part by the European Research Council under the AstroDyn Research Project No. 227952 (DM), Swedish Research Council under grant 2011-542 (DM), NORDITA visiting PhD students program (AG), and CSIR, UGC, and DST (India) (AG and RP). We thank SERC (IISc) for providing computational resources. AG, PP, and RP thank NORDITA for hospitality; DM thanks the Indian Institute of Science for hospitality. ## References * (1) G. Taylor, Proc. London. Math. Soc. s2-20, 196 (1922). * (2) F. Toschi and E. Bodenschatz, Ann. Rev. Fluid Mech. 41, 375 (2009). * (3) R. A. Shaw, Annual Review of Fluid Mechanics 35, 183 (2003). * (4) W. W. Grabowski and L.-P. Wang, Ann. Rev. Fluid Mech. 45, 293 (2013). * (5) G. Falkovich, A. Fouxon, and M. 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Lett. 107, 184503 (2011). * (36) L. Biferale et al., Phys. Rev. Lett. 93, 064502 (2004). * (37) J. Bec et al., Journal of Fluid Mechanics 550, 349 (2006). * ## Appendix A Statistical Properties of the Intrinsic Geometry of Heavy- particle Trajectories in Two-dimensional, Homogeneous, Isotropic Turbulence : Supplemental Material In this Supplemental Material we provide numerical details of our direct numerical simulation (DNS) of Eq. (2) in the main part of this paper. We also give results of our DNS for the case of the injection wave vector $k_{\rm inj}=50$, which yields a significant inverse-cascade part in the energy spectrum $E(k)$. In Fig. (6) we show the energy spectra $E(k)$ for our runs $\tt FA$ ($k_{\rm inj}=4$) and $\tt IA$ ($k_{\rm inj}=50$). (a) (b) Figure 6: (Color online) Log-log (base 10) plots of the energy spectra $E(k)$ versus $k$ for (a) runs $\tt FA$ ($k_{\rm inj}=4$) and (b) runs $\tt IA$ ($k_{\rm inj}=50$). We perform a DNS of Eq. (2) by using a pseudo-spectral code Can88 with the $2/3$ rule for dealiasing; and we use a second-order, exponential time differencing Runge-Kutta method cox+mat02 for time stepping. We use periodic boundary conditions in a square simulation domain with side $\mathbb{L}=2\pi$, with $N^{2}$ collocation points. Together with Eq.(2) we solve for the trajectories of $N_{\rm p}$ heavy particles, for each of which we solve Eq. (4) with an Euler scheme. The use of an Euler scheme to evolve particles is justified because, in time $\delta t$, a particle crosses at most one-tenth of grid spacing. We obtain the Lagrangian velocity at an off-grid particle position ${\bm{x}}$, from the Eulerian velocity field by using a bilinear- interpolation scheme Pre+Fla+Teu+Vet92 ; for numerical details see Refs. per+pan09 ; Per09 ; per+ray+mit+pan11 ; ray+mit+per+pan11 . We calculate the fluid energy-spectrum $E(k)\equiv\sum_{k-1/2<k^{\prime}\leq k+1/2}k^{\prime 2}\langle|\hat{\psi}({\bf k^{\prime}},t)|^{2}\rangle_{t}$, where $\langle\cdot\rangle_{t}$ indicates a time average over the statistically steady state. The parameters in our simulations are given in Table(II) of the main part of this paper and in Table(3). These include the Taylor-microscale Reynolds number, $Re_{\lambda}\equiv u_{\rm rms}\lambda/\nu$, where $\lambda\equiv\sqrt{\nu E/\varepsilon}$ is the Taylor microscale and the Stokes number ${\rm St}=\tau_{\rm s}/T_{\eta}$. We use $20$ different values of ${\rm St}$ to study the dependence on ${\rm St}$ of the PDFs $\mathcal{P}(a)$, $\mathcal{P}(a_{t})$ and $\mathcal{P}(a_{n})$, the cumulative PDF $\mathcal{Q}(\kappa)$, the mean square displacement, and the number of inflection points $N_{\rm I}(t,{\rm St})$ at which ${\bm{a}}\times{\bm{v}}$ changes sign along a particle trajectory. A point in a 2D flow is vortical or strain-dominated if the Okubo-Weiss parameter $\Lambda=(1/8)(\omega^{2}-\sigma^{2})$ is, respectively, positive or negative oku70 ; wei91 ; per+ray+mit+pan11 . We investigate how the acceleration statistics of heavy particles depends on the sign of $\Lambda$ by conditioning the PDFs of $a_{t}$ and $\kappa$ on this sign. In particular, we obtain the conditional PDFs $\mathcal{P}^{+}$ and $\mathcal{P}^{-}$, where the superscript stands for the sign of $\Lambda$. We find, on the one hand, that the tail of $\mathcal{P}^{+}(a_{t})$ falls faster than that of $\mathcal{P}^{-}(a_{t})$ because regions of the trajectory with high tangential accelerations are associated with strain-dominated points in the flow. On the other hand, the right tail of $\mathcal{P}^{+}(\kappa)$ falls more slowly than that of $\mathcal{P}^{-}(\kappa)$, which implies that high- curvature parts of a particle trajectory are correlated with vortical regions of the flow. We give plots of $\mathcal{P}^{+}(a_{t})$, $\mathcal{P}^{+}(\kappa)$, $\mathcal{P}^{-}(a_{t})$, and $\mathcal{P}^{-}(\kappa)$ in Fig. (7) and Fig. (8). These trends hold for all values of ${\rm St}$ and $k_{\rm inj}$ that we have studied. Figure 7: (Color online) Semilog (base 10) plots of the PDFs of the tangential component of the acceleration for ${\rm St}=0.1$ in vortical regions $\mathcal{P}(a_{t}^{+})$ (red squares) and in strain-dominated regions $\mathcal{P}(a_{t}^{-})$ (blue asterisks). Figure 8: (Color online) Semilog (base 10) plots of PDF of the curvature of trajectories for ${\rm St}=0.1$ in vortical regions $\mathcal{P}(\kappa^{+}\eta)$ (red squares), in strain- dominated regions $\mathcal{P}(\kappa^{-}\eta)$ (blue asterisks), and in general (i.e., without conditioning on the sign of $\Lambda$) $\mathcal{P}(\kappa\eta)$ (black triangles). Figure 9: (Color online) Log-log (base 10) plots for $k_{\rm inj}=50$ of $r^{2}$ versus $t/T_{\rm eddy}$ for ${\rm St}=0.1$ (red asterisks) and ${\rm St}=1$ (black squares). In Fig. (9), we plot the square of the mean-squared displacement $r^{2}$ versus time $t$ for $k_{\rm inj}=50$; here too we see a crossove from ballistic to Brownian behaviors; however, in contrast to the case $k_{\rm inj}=4$, the crossover time $T_{\rm cross}$ does not depend significantly on ${\rm St}$. Figure 10: (Color online) Semilog (base 10) plot of the PDF $\mathcal{P}(\log_{10}(\kappa\eta))$ versus $\log_{10}(\kappa\eta)$, for ${\rm St}=0.1$ (blue asterisks), 301 ${\rm St}=1$ (red squares) and ${\rm St}=2$ (black circles). In Fig. (10), we plot the PDF $\mathcal{P}(\log_{10}(\kappa\eta))$ versus $\log_{10}(\kappa\eta)$, for ${\rm St}=0.1$ (blue asterisks), ${\rm St}=1$ (red squares) and ${\rm St}=2$ (black circles). Such PDFs provide another convenient way of displaying the power-law behaviors, as $\kappa\to\infty$ and $\kappa\to 0$, which we have reported in the main part of this paper, where we have used the cumulative PDF of $\kappa$ to obtain the power-law exponents. In Table(3) we report the values of $\alpha$, $\alpha_{\rm n}$, $\alpha_{\rm t}$, and the exponent $h_{\rm r}$ of the right tail of the PDF of the trajectory curvature, for the case $k_{\rm inj}=50$ and for different values of ${\rm St}$. $Run$ | ${\rm St}$ | $\alpha$ | $\alpha_{\rm t}$ | $\alpha_{\rm n}$ | $h_{\rm r}$ ---|---|---|---|---|--- I1 | $0.1$ | $0.39\pm 0.06$ | $0.69\pm 0.02$ | $0.40\pm 0.06$ | $2.16\pm 0.09$ I2 | $0.2$ | $0.47\pm 0.05$ | $0.81\pm 0.03$ | $0.46\pm 0.05$ | $2.14\pm 0.09$ I3 | $0.3$ | $0.55\pm 0.04$ | $0.95\pm 0.02$ | $0.54\pm 0.05$ | $2.1\pm 0.1$ I4 | $0.4$ | $0.63\pm 0.04$ | $1.09\pm 0.03$ | $0.61\pm 0.04$ | $2.10\pm 0.08$ I5 | $0.5$ | $0.71\pm 0.04$ | $1.21\pm 0.02$ | $0.68\pm 0.03$ | $2.09\pm 0.09$ I6 | $0.6$ | $0.80\pm 0.03$ | $1.34\pm 0.03$ | $0.77\pm 0.03$ | $2.08\pm 0.09$ I7 | $0.7$ | $0.88\pm 0.04$ | $1.48\pm 0.04$ | $0.85\pm 0.03$ | $2.07\pm 0.09$ I8 | $0.8$ | $0.97\pm 0.03$ | $1.60\pm 0.03$ | $0.94\pm 0.04$ | $2.07\pm 0.09$ I9 | $0.9$ | $1.05\pm 0.03$ | $1.73\pm 0.03$ | $1.01\pm 0.04$ | $2.1\pm 0.1$ I10 | $1.0$ | $1.16\pm 0.03$ | $1.87\pm 0.03$ | $1.10\pm 0.03$ | $2.1\pm 0.1$ Table 3: The values of $\alpha$, $\alpha_{\rm n}$, $\alpha_{\rm t}$, and the exponent $h_{\rm r}$, for the case $k_{\rm inj}=50$ for different values of ${\rm St}$. In Table(4) we report the exponent $h_{\rm l}$, which charcterizes $\mathcal{P}(\kappa\eta)$, as $\kappa\to 0$, in both the cases $k_{\rm inj}=4$ and $k_{\rm inj}=50$. In both these cases and for all the different values of ${\rm St}$ we have studied, $h_{\rm l}=0.0\pm 0.1$. ${\rm St}$ | $0.1$ | $0.2$ | $0.3$ | $0.4$ | $0.5$ | $1.0$ ---|---|---|---|---|---|--- $h_{\rm l}$ ($\tt FA$) | $0.0\pm 0.1$ | $0.0\pm 0.1$ | $0.0\pm 0.1$ | $0.0\pm 0.1$ | $0.0\pm 0.1$ | $0.0\pm 0.1$ $h_{\rm l}$ ($\tt IA$) | $0.0\pm 0.1$ | $0.0\pm 0.1$ | $0.0\pm 0.1$ | $0.0\pm 0.1$ | $0.0\pm 0.1$ | $0.0\pm 0.1$ Table 4: The exponent $h_{\rm l}$ that charcterizes $\mathcal{P}(\kappa\eta)$, as $\kappa\to 0$, in both the cases $k_{\rm inj}=4$ and $k_{\rm inj}=50$ and for different values of ${\rm St}$.
arxiv-papers
2014-02-27T20:30:36
2024-09-04T02:49:59.051661
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Anupam Gupta (Uni of Rome and IISc), Dhrubaditya Mitra (NORDITA),\n Prasad Perlekar (TCIS), and Rahul Pandit (IISc)", "submitter": "Dhrubaditya Mitra", "url": "https://arxiv.org/abs/1402.7058" }
1402.7067
# Glauber Dynamics: An Approach in a Simple Physical System Vilarbo da Silva Junior [email protected] Centro de Ciências Exatas e Tecnológicas, Universidade do Vale do Rio dos Sinos, Caixa Postal 275, 93022-000 São Leopoldo RS, Brazil Alexsandro M. Carvalho [email protected] Centro de Ciências Exatas e Tecnológicas, Universidade do Vale do Rio dos Sinos, Caixa Postal 275, 93022-000 São Leopoldo RS, Brazil ###### Abstract In this paper, we investigate a special class of stochastic Markov processes, known as Glauber dynamics. Markov processes are importance, for example, in the study of complex systems. For this, we present the basic theory of Glauber dynamics and its application to a simple physical model. The content of this work was designed in such a way that the reader unfamiliar with the Glauber dynamics, finds here an introductory material with details and example. ## I Introduction Probability theory studies the random phenomena and quantifies their probabilities of occurrence. In principle, when we observe a sequence of chance experiments, all of the past outcomes could influence our predictions for the next experiment. For example, the prediction of grades of a student in a sequence of exams in a course. In 1906, Andrei Andreyevich Markov markov1 studied an important type of random process (Markov process). In this process, the outcome of a given experiment can affect the outcome of the next experiment. In other words, the past is conditionally independent of the future given the present state of the process. When presenting the model, Markov did not bother with the applications. In fact, his intention was to show that the large numbers law is valid even if the random variables are dependent. Nowadays, there are numerous applications of which we mention: Biological phenomena gibson , Social science stander , Electrical engineering kjersti among others. We emphasize that physics is one of the areas of knowledge that often uses Markov process. For example, Ehrenfest model Ehrenfest for the diffusion and Glauber dynamics Glauber for the Ising model. In this paper, we present a special class of Markov processes known as Glauber dynamic Glauber ; Daniel . This topic is extremely important since it is the theoretical basis for the Metropolis Algorithm (or simulated annealing metropolis ), successfully used to treat and understand problems in physics of complex systems Newman ; Barabasi . The organization this article is as follows: In Section II, we focus in mathematical background (stochastic process and statistical physics). The generalities of the Glauber dynamics are presented in section III. As an application, we present in section IV, the explicit implementation of the Glauber dynamics on the model of localized magnetic nuclei. A physical interpretation of the model is made in section V. In the sequence, we dedicate the section VI to the final considerations. ## II Preliminary Concepts ### II.1 Stochastic Process A continuous time Markov process on a finite or countable state space $S=\\{s_{0},s_{1},\ldots\\}$ is a sequence of random variable $X_{0},X_{t_{1}},\ldots$ taking values in $S$, with the property that, for all $t\geq 0$ and $s_{0},s_{1},\ldots,s_{n},s\in S$ we have $\mathbb{P}(X_{0}=s_{0}|X_{t_{n}}=s_{n})=\mathbb{P}(X_{0}=s_{0},\ldots,X_{t_{n}}=s_{n})$ (1) whenever $t>t_{n}>\cdots>t_{1}>0$ and $\mathbb{P}(X_{0}=s_{0}|X_{t_{n}}=s_{n})>0$. Here $\mathbb{P}(A|B)=\mathbb{P}(A,B)/\mathbb{P}(B)$ denotes the conditional probability of occur $A$ given that occurred $B$ and $\mathbb{P}(A,B)$ is the probability that occur $A$ and $B$ simultaneously. Thus, given the state of the process at any set of times prior to time $t$, the distribution of the process at time $t$ depends only on the process at the most recent time prior to time $t$. This notion is exactly analogous to the Markov property for a discrete-time process norris . If the time is discrete, the probability $\mathbb{P}$ associate to the Markov process is completely determined by a time dependent stochastic matrix $P(t)$ (transition probability matrix) and a stochastic vector $\mu$ (initial distribution). When $S$ has $n$ states it follows that $P(t)$ is a $n\times n$ matrix and its elements are denoted as $p_{ij}(t)=\mathbb{P}(X_{t}=j|X_{0}=i)$, i.e, $p_{ij}(t)$ is the transition probability from $i$ to $j$ in time $t$. Furthermore, the $n$ coordinates of $\mu$ are $\mu_{i}=\mathbb{P}(X_{0}=i)$ represents the probability of finding the system in state $i$ initially. A initial distribution $\mu$ are called invariant or stationary from $P(t)$ if satisfies $\mu P(t)=\mu$ for all $t\geq 0$. This fact indicates the equilibrium state of the system. If there is a invariant distribution $\mu$ from $P(t)$, them we have $\lim_{t\rightarrow\infty}P(t)=M$ where all the lines of $M$ are $\mu$. Now, if time is continuous, the dynamics of $P(t)$ is find as solution of the initial value problem (Kolmogorov Equation norris ) $\displaystyle\frac{d}{dt}P(t)$ $\displaystyle=$ $\displaystyle QP(t),$ (2) $\displaystyle P(0)$ $\displaystyle=$ $\displaystyle I,$ where $I$ is the identity matrix and the $Q$ matrix is called $Q$-matrix. The elements of Q, $q_{ij}$, must satisfy the following conditions: $\displaystyle 0\leq-q_{ii}<\infty,\;\;$ $\displaystyle\forall$ $\displaystyle\,i$ (3) $\displaystyle q_{ij}>0\;\;$ $\displaystyle\forall$ $\displaystyle\,i\neq j$ (4) $\displaystyle\sum_{j\in S}q_{ij}=0\;\;$ $\displaystyle\forall$ $\displaystyle\,i$ (5) The $Q$-matrix is also called matrix row sum zero, which complies with its last property. Each off-diagonal entry $q_{ij}$ we shall interpret as the rate going from $i$ to $j$ and the diagonal elements are chosen in general as $q_{ii}=-\sum_{j\neq i}q_{ij}$. For end, the explicit form of transition probability matrix is $P(t)=e^{tQ}$ (solution of differential equation (2)), where the exponential matrix is $e^{tQ}=\sum_{k=0}^{\infty}t^{k}Q^{k}/k!$. Thus, the stochastic vector $\mu(t)$ that describes the probability of finding the system in their states on time $t$ is $\mu(t)=\mu e^{tQ}$, where $\mu$ is the initial distribution. The solution $P(t)=e^{tQ}$ shows how basic the generator matrix $Q$ is to the properties of a continuous time Markov chain. For example, if $\nu$ is a probability vector and satisfies $\nu Q=0$ means $\nu$ is a stationary distribution of Markov processnorris . Some stochastic processes have the property that, when the direction of time is reversed the behavior of the process remains the same. This class of stochastic process is known as reversible stochastic process. We say that a continuous time Markov process $\\{X_{t}\\}_{t\geq 0}$ is reversible with respect to initial distribution $\mu$ if, for all $n\geq 1$, $s_{0},s_{1},\ldots,s_{n}\in S$ and $t_{n}>\cdots>t_{1}>0$ occur $\mathbb{P}(X_{0}=s_{0},X_{t_{1}}=s_{1}\ldots,X_{t_{n}}=s_{n})=\mathbb{P}(X_{t_{n}}=s_{0},X_{t_{n}-t_{n-1}}=s_{1}\ldots,X_{0}=s_{n})$. Intuitively, if we take a movie of such a process and, then, to run the movie backwards the process result will be statistically indistinguishable from the original process. There is a condition for reversibility that can be easily checked, called detailed balance condition. In more detail, this condition is obtained when Markov process is reversible with respect to initial distribution $\mu$, i.e., $\mu_{i}q_{ij}=\mu_{j}q_{ij},$ (6) for all states $i$ and $j$, where $q_{ij}$ denotes the entry of Q-matrix of $P(t)$ and $\mu_{i}$ the coordinates of $\mu$. A first consequence is that if $\mu$ and $Q$ satisfies the detailed balance condition then $\mu$ is a stationary distribution for $P(t)$ norris . This condition has a very clear intuitive meaning: in equilibrium, we must have the same number of transitions in both directions ($i\rightarrow j$ and $j\rightarrow i$). ### II.2 Statistical Physics Here, we present some concepts of equilibrium statistical mechanics. For a complete treatment, we suggest the references: Huang huang and Reif reif . Simple systems are macroscopically homogeneous, isotropic, discharged, chemically inert and sufficiently large. Often, a simple system is called pure fluid. A composite system is constituted by a set of simple systems separated by constraints. Constraints are optimal partitions that can be restrictive to certain variables. The main types of constraints are: adiabatic, fixed and impermeable. In relation the equilibrium thermodynamics is important to know its postulates, which are: * • First Postulate: The microscopic state of a pure fluid is completely characterized by the internal energy $U$, volume $V$ and number of particles $N$. * • Second Postulate: There is a function of all extensive parameters of a composite system named entropy $S(U_{1},V_{1},N_{1},\ldots,U_{n},V_{n},N_{n})$, which is defined for all equilibrium states. On removal of an inner constraints, the extensive parameters assume values which maximize the entropy. * • Third Postulate: The entropy of a composite system is additive on each of its components. Entropy is a continuous, differentiable and monotonically increasing function. * • The fundamental postulate of statistical mechanics: In a closed statistical system with fixed energy, all accessible microscopic states are equally likely. Figure 1: Simple system $G$ in contact with a thermal reservoir $R$ with temperature $T$. Let us consider a simple system $G$ in contact with a thermal reservoir $R$ with temperature $T$, by means of a diathermic constraint fixed and impermeable (see Fig. 1), where $R$ is very large compared to $G$. If the composite system $G+R$ is isolated with total energy $E_{0}$, then the probability distribution $\mu(T)=(\mu_{1}(T),\mu_{2}(T),\ldots)$ (7) is characterized by $\mu_{i}(T)=\frac{e^{-\frac{E_{i}}{T}}}{Z(T)},$ (8) where $\mu_{i}(T)$ is the probability of finding the system $G$ in particular microscopic state $i$ with energy $E_{i}$ and temperature $T$ (we choose the Boltzmann constant $k_{B}=1$, for convenience). The normalization constant $Z(T)=\sum_{j}e^{-E_{j}/T}$ is called partition function of the system. Furthermore, the distribution $\mu(T)$ is known as a Gibbs states. Thus the canonical ensemble consists in a set microscopic states $i$ accessible to the system $G$ in contact with a thermal reservoir $R$ and temperature $T$, with probability distribution given by Eq. (8) (Gibbs distribution). Clearly, there is a energy fluctuation in the canonical ensemble. Using the Gibbs distribution, we obtain that the average energy of system $G$ (using $\beta=1/T$) is $\left<E\right>=-\frac{\partial}{\partial\beta}\log{(Z(\beta))}=\sum_{j}\mu_{j}(\beta)E_{j}$ (9) and its variance can be write as $\sigma^{2}(E)=\left<E^{2}\right>-\left<E\right>^{2}=\frac{\partial^{2}}{\partial\beta^{2}}\log{(Z(\beta))},$ (10) where $E_{j}$ is the energy in a particular microscopic state $j$. In summary, based on the Gibbs distribution, equilibrium statistical mechanics indicates that states with lower energy are more likely than those with higher energy. ## III Glauber Dynamics We saw in the previous section, the Gibbs state (7) is the equilibrium state of the system. Thus, a relevant question is: how the system evolves from the initial state to the Gibbs state? Note that the equilibrium state, in the context of the Markov process, corresponds to stationary distribution. Thus, we forward the answer to the question as the solution of Kolgomorov equation (2). However, for this purpose, we need to know the behavior of the Q-matrix. An alternative to the shape of the Q-matrix is the Glauber dynamics Glauber . In order to build a Glauber dynamics is necessary to know the single particle energy function $E_{i}$ and their accessible microscopic states (states space) $S=\\{i\\}$. Thus, we write explicitly the partition function $Z(T)$ and Gibbs states $\mu_{i}(T)$. To describe the time dependent probabilities matrix $P(t)=e^{tQ(T)}$ which is reversible with respect to the Gibbs state, we need to propose a $Q(T)$-matrix that satisfies the detailed balance condition (6) with Gibbs state $\mu(T)$ (for each fixed temperature $T$). There are many other possibilities sinai , and the optimal choice is often dictated by special features of the situation under consideration. However, for our purposes, the one which will serve us best is the one whose $Q(T)$-matrix is given by Daniel $\displaystyle\begin{cases}q_{ij}(T)=e^{-\frac{1}{T}(E_{j}-E_{i})}&\mbox{if}\,\,E_{j}>E_{i}\\\ q_{ij}(T)=1&\mbox{if}\,\,E_{j}\leq E_{i}\\\ q_{ii}(T)=-\sum_{j\neq i}q_{ij}(T),\end{cases}$ (11) where $E_{i}$ is the single particle energy at particular microscopic state $i$. In the App. VII.1, we show that above matrix satisfies the detailed balance condition with the Gibbs states. Therefore, the time dependent probability matrix generated by Eq. (11) is a Glauber dynamics for the Gibbs states. ## IV Example: Localized Magnetic Nuclei The nuclei of certain solids sessoli have integer spin. According to quantum theory sakurai , each nuclei can have three quantum spin states (with $\sigma=+1,0$ or $-1$). This quantum number measures the projection of the nuclear spin along the axis of the crystalline solid. As the charge distribution is not spherically symmetric, nuclei energy depends on the spin orientation relative to the local electric field. In Fig. 2, we show a possible configuration of this magnetic nucleons. Figure 2: Picture of a magnetic nuclei chain. The up arrow means $\sigma=+1$, no arrow means $\sigma=0$ and down arrow $\sigma=-1$. Thus, nuclei in states $\sigma=\pm 1$ and $\sigma=0$ have energy, respectively, $D>0$ and zero. Therefore, its energy function is given by $E_{\sigma}=D\sigma^{2},$ (12) where $D>0$ is electric field intensity and the microscopic states (quantum states) are characterized by random variables (spins) $\sigma\in S=\\{+1,0,-1\\}$. So, for each fixed temperature $T$, the partition function is written as $Z(T)=\sum_{\sigma\in\\{+1,0,-1\\}}e^{-\frac{1}{T}D\sigma^{2}}=1+2e^{-\frac{1}{T}D}$ (13) and the Gibbs states coordinates $\mu_{\sigma}(T)$ (8) are given by $\mu_{\sigma}(T)=\frac{e^{-\frac{1}{T}D\sigma^{2}}}{1+2e^{-\frac{1}{T}D}}.$ (14) In order to explicit the $Q(T)$-matrix for this physical system, we apply the energy function (12) at (11). This results (see App. VII.2) $Q(T)=\left(\begin{array}[]{ccc}-2&1&1\\\ e^{-\frac{1}{T}D}&-2e^{-\frac{1}{T}D}&e^{-\frac{1}{T}D}\\\ 1&1&-2\\\ \end{array}\right).$ (15) To find $P(t)=e^{tQ(T)}$, we need to diagonalize the $Q(T)$-matrix lay . For this, we must present a invertible matrix $B$ such as $Q(T)B=BD_{3}$ (equivalently $Q(T)=BD_{3}B^{-1}$), where $B$´s columns is composite by eigenvector of $Q(T)$, $B^{-1}$ its inverse and $D_{3}$ is a diagonal matrix ($3\times 3$) formed by eigenvalues of $Q(T)$. In this present case, the characteristic polynomial is $\displaystyle p(\lambda)$ $\displaystyle=$ $\displaystyle\det{(Q(T)-\lambda I)}$ (16) $\displaystyle=$ $\displaystyle-e^{-\frac{1}{T}D}\lambda(3+\lambda)(2+e^{\frac{1}{T}D}(1+\lambda)).$ The eigenvalues $\lambda$’s are solution of characteristic equation $p(\lambda)=0$, i.e, $\lambda_{1}=-3,\qquad\lambda_{2}=0,\qquad\lambda_{3}=-Z(T),$ (17) where $Z(T)$ is the partition function (13). Consequently, its associated eigenvectors are $v_{1}=\left(\begin{array}[]{c}-1\\\ 0\\\ 1\\\ \end{array}\right),\>v_{2}=\left(\begin{array}[]{c}1\\\ 1\\\ 1\\\ \end{array}\right),\>v_{3}=\left(\begin{array}[]{c}1\\\ -2e^{\frac{1}{T}D}\\\ 1\\\ \end{array}\right).$ (18) We conclude that $Q(T)$-matrix admits a decomposition $Q(T)=BD_{3}B^{-1}$ (see App. VII.3). Then, $P(t)=Be^{tD_{3}}B^{-1}$ is responsible for describing the dynamics of transition probabilities between spin. More explicit, $P(t)$ is $P(t)=\left(\begin{array}[]{ccc}p_{+1+1}(t)&p_{+10}(t)&p_{+1-1}(t)\\\ p_{0+1}(t)&p_{00}(t)&p_{0-1}(t)\\\ p_{-1+1}(t)&p_{-10}(t)&p_{-1-1}(t)\\\ \end{array}\right)$ (19) where $\displaystyle p_{+1+1}(t)$ $\displaystyle=$ $\displaystyle p_{-1-1}(t)=\frac{e^{-3t}}{2}+\frac{e^{-\frac{1}{T}D}}{Z(T)}+\frac{e^{-Z(T)t}}{2Z(T)},$ $\displaystyle p_{0+1}(t)$ $\displaystyle=$ $\displaystyle p_{0-1}(t)=\frac{e^{-\frac{1}{T}D}}{Z(T)}-\frac{e^{-\frac{1}{T}D-Z(T)t}}{Z(T)},$ $\displaystyle p_{-1+1}(t)$ $\displaystyle=$ $\displaystyle p_{+1-1}(t)=-\frac{e^{-3t}}{2}+\frac{e^{-\frac{1}{T}D}}{Z(T)}+\frac{e^{-Z(T)t}}{2Z(T)},$ $\displaystyle p_{+10}(t)$ $\displaystyle=$ $\displaystyle p_{-10}(t)=\frac{1}{Z(T)}-\frac{e^{-Z(T)t}}{Z(T)},$ $\displaystyle p_{00}(t)$ $\displaystyle=$ $\displaystyle\frac{1}{Z(T)}+\frac{2e^{-\frac{1}{T}D-Z(T)t}}{Z(T)}.$ Here, $p_{\sigma,\widetilde{\sigma}}(t)=\mathbb{P}(X_{t}=\widetilde{\sigma}|X_{0}=\sigma)$ indicates the transition probability from spin state $\sigma$ to $\widetilde{\sigma}$ in time $t$. For example, $p_{+10}(t)$ is the probability from $\sigma=+1$ to $\sigma=0$ after time $t$. It is relatively easy to prove that $P(t)$ satisfies the detailed balance condition with Gibbs state $\mu(T)$ (14). Therefore, the stochastic Markov process $\\{X_{t}\\}_{t\geq 0}$ where the random variable $X_{t}$ denotes the quantum spin state of each located nucleus at time $t$ (i.e. $X_{t}=\sigma$) is a Glauber dynamics. ## V Results and Discussion Given the $P(t)$ elements and an initial quantum state, we can follow the dynamics of the transition probability between quantum spin states. For example, consider initially the state $\sigma=+1$. Note that we have $p_{+1+1}(t)\geq p_{+1-1}(t)$ for all $t$. This means that since the nuclei is in the quantum spin state $\sigma=+1$ is more likely that it remains in such a state that it “flip” to the quantum spin state $\sigma=-1$. In the Fig. 3, we present the dynamics of some transition probabilities. For our choice of parameters $T=1$ and $D=\log{(2)}$ we have $\lim_{t\rightarrow\infty}\mu(T)(t)=\mu(T)=(1/4\,\,\,1/2\,\,\,1/4)$. Therefore, in a sample of $N$ nuclei, on average $N/2$ occupy the quantum spin state $\sigma=0$, $N/4$ occupy $\sigma=+1$ and $N/4$ occupy $\sigma=-1$. In this figure, we see the convergence (exponential) this limit as well as the consistency in their values. Figure 3: Time dependence for some transition probabilities $p_{\sigma\widetilde{\sigma}}(t)$ for $T=1$ and $D=\log{(2)}$. The solid line corresponds to $p_{00}(t)$, short dashed line $p_{+1+1}(t)$, medium dashed line $p_{+10}(t)$ and long dashed line $p_{+1-1}(t)$. Still on the limit $t\rightarrow\infty$, we have $\lim_{t\rightarrow\infty}P(t)=\left(\begin{array}[]{ccc}\mu_{+1}(T)&\mu_{0}(T)&\mu_{-1}(T)\\\ \mu_{+1}(T)&\mu_{0}(T)&\mu_{-1}(T)\\\ \mu_{+1}(T)&\mu_{0}(T)&\mu_{-1}(T)\\\ \end{array}\right)$ (20) where $\mu_{\sigma}(T)$ are the coordinates of Gibbs state $\mu(T)$. This result is consistent with that shown in the Sec. II.1, i.e, $\mu(T)=(\mu_{+1}(T)\,\,\mu_{0}(T)\,\,\mu_{-1}(T))$ is the unique equilibrium state (invariant distribution) for $P(t)$. Then, whatever the initial spin states distribution $\nu=(\nu_{+1}\,\,\nu_{0}\,\,\nu_{-1})$, we always have $\lim_{t\rightarrow\infty}\mu(T)(t)=\lim_{t\rightarrow\infty}\nu P(t)=\mu(T)$. This result, partly, justifies freedom of choice in the initial distribution of spin states in Monte Carlo simulations (Metropolis algorithm binder1 ). Note by Eq. (14) that $\mu_{0}(T)\geq\mu_{+1}(T)=\mu_{-1}(T)$. Thus, we can conclude that after a long time, most of the nuclei are occupying the quantum spin state $\sigma=0$. This occupation number is due to the fact that the quantum spin state $\sigma=0$ is less energetic than the other two states ($E_{0}=0$ and $E_{+1}=E_{-1}=D>0$). This is in accordance with a general physical principle that any physical system tends to occupy the lower energy state. Additionally, note that if $T\rightarrow\infty$, we prove that $\lim_{T\rightarrow\infty}\mu_{0}(T)=\lim_{T\rightarrow\infty}\mu_{+1}(T)=\lim_{T\rightarrow\infty}\mu_{-1}(T)=1/3$. Therefore, for high temperature the three quantum spin states are equally likely (same occupation number). In the opposite limit, when $T\rightarrow 0$, $\lim_{T\rightarrow 0}\mu_{0}(T)=1$ and $\lim_{T\rightarrow 0}\mu_{+1}(T)=\lim_{T\rightarrow 0}\mu_{-1}(T)=0$. This indicates that for low temperatures, all the nuclei tend to occupy the quantum spin state of lower energy $\sigma=0$ (ground state). Another important verification is the average number of spin $\left<\sigma\right>$, given by $\left<\sigma\right>=\sum_{\sigma\in S}\sigma\mu_{\sigma}(T)=0$ where $S=\\{+1,0,-1\\}$. If we chose a nuclei randomly, is more likely to be found in the quantum spin state $\sigma=0$. The quantity $m=\left<\sigma\right>$ is called the magnetization of system reif . ## VI Conclusions This paper presents a review about continuous time stochastic Markov processes which are reversible with respect to Gibbs State, called Glauber dynamics. The main result of our exposition is contained in Sec. IV. We use the theory developed in the preceding sections applying them in a very simple physical model. This example, contains the necessary ingredients to illustrate richness of the method. We show that, after a long time interval, distribution of quantum spin states are given by the state Gibbs. This state is a equilibrium state for the Glauber dynamics. So any initial distribution of spin state will relax in $\mu(T)$. This, ,in turn, justifying the free choice of the initial distribution of spin states in computational simulations via Monte Carlo method. For a fixed temperature, we verify that the quantum spin state $\sigma=0$ is the one with the highest number of occupants (most likely). This is consistent with what is expected physically since $\sigma=0$ is the lowest energy state. This fact indicates that average value of the random spin variable was zero and, consequently, a zero magnetization for a sample of this kind of spins. Finally, for high temperatures, the nuclei are uniformly distributed in the quantum spin states ($1/3$ for each). On the other hand, for low temperatures, all the nuclei tend to occupy a quantum spin state $\sigma=0$. ## VII Appendices ### VII.1 Proof of the Detailed Balance Condition In order to show the equality (6) for $Q(T)$-matrix (11) and Gibbs state (8) let us assume, without loss of generality, that $E_{j}>E_{i}$. So, $\displaystyle\mu_{i}(T)q_{ij}(T)$ $\displaystyle=$ $\displaystyle\frac{1}{Z(T)}e^{-\frac{E_{i}}{T}}e^{\frac{1}{T}(E_{j}-E_{i})}$ $\displaystyle=$ $\displaystyle\frac{1}{Z(T)}e^{-\frac{E_{i}}{T}}e^{-\frac{E_{j}}{T}}e^{\frac{E_{i}}{T}}$ $\displaystyle=$ $\displaystyle\frac{1}{Z(T)}e^{-\frac{E_{j}}{T}}e^{-\frac{E_{i}}{T}+\frac{E_{i}}{T}}$ $\displaystyle=$ $\displaystyle\frac{1}{Z(T)}e^{-\frac{E_{j}}{T}}1=\mu_{j}(T)q_{ji}(T),$ because as we are assuming $E_{j}>E_{i}$ it follows that $E_{i}<E_{j}$ then by (11) $q_{ji}(T)=1$. Therefore, $Q(T)$ and $\mu(T)$ satisfy the detailed balance condition and hence $P(t)=e^{tQ(T)}$ generated by $Q(T)$ is a Glauber dynamics. ### VII.2 $Q(T)$-matrix Calculations In this appendix, we show in detail the entry of $Q(T)$-matrix. As the state space $S=\\{+1,0,-1\\}$ has tree states our $Q(T)$-matrix is $3\times 3$ and its elements $q_{\sigma,\widetilde{\sigma}}(T)$, evaluated as prediction in Eq. (11) with Eq. (12), are given by: $\displaystyle q_{+10}(T)$ $\displaystyle=$ $\displaystyle e^{-\frac{1}{T}(E_{0}-E_{+1})}=1,$ $\displaystyle q_{+1-1}(T)$ $\displaystyle=$ $\displaystyle e^{-\frac{1}{T}(E_{-1}-E_{+1})}=e^{-\frac{1}{T}(D-D)}=1,$ $\displaystyle q_{+1+1}(T)$ $\displaystyle=$ $\displaystyle-q_{+10}(T)-q_{+1-1}(T)=-2,$ $\displaystyle q_{0+1}(T)$ $\displaystyle=$ $\displaystyle e^{-\frac{1}{T}(E_{+1}-E_{0})}=e^{-\frac{1}{T}(D-0)}=e^{-\frac{1}{T}D},$ $\displaystyle q_{0-1}(T)$ $\displaystyle=$ $\displaystyle e^{-\frac{1}{T}(E_{-1}-E_{0})}=e^{-\frac{1}{T}(D-0)}=e^{-\frac{1}{T}D},$ $\displaystyle q_{00}(T)$ $\displaystyle=$ $\displaystyle- q_{0+1}(T)-q_{0-1}(T)=-2e^{-\frac{1}{T}D},$ $\displaystyle q_{-1+1}(T)$ $\displaystyle=$ $\displaystyle e^{-\frac{1}{T}(E_{+1}-E_{+1})}=e^{-\frac{1}{T}(D-D)}=1,$ $\displaystyle q_{-10}(T)$ $\displaystyle=$ $\displaystyle e^{-\frac{1}{T}(E_{0}-E_{-1})}=1,$ $\displaystyle q_{-1-1}(T)$ $\displaystyle=$ $\displaystyle- q_{-1+1}(T)-q_{-10}(T)=-2.$ because $E_{\pm 1}>E_{0}$. ### VII.3 Explicit Elements: $B$, $D_{3}$ and $B^{-1}$ In Sec. (IV), we discus a decomposition $Q(T)=BD_{3}B^{-1}$. Explicitly, $B=\left(\begin{array}[]{ccc}-1&1&1\\\ 0&1&-2e^{-\frac{1}{T}D}\\\ 1&1&1\\\ \end{array}\right),\qquad D_{3}=\left(\begin{array}[]{ccc}-3&0&0\\\ 0&0&0\\\ 0&0&-Z(T)\\\ \end{array}\right)$ and $B^{-1}=\left(\begin{array}[]{ccc}-\frac{1}{2}&0&\frac{1}{2}\\\ \frac{e^{-\frac{1}{T}D}}{Z(T)}&\frac{1}{Z(T)}&\frac{e^{-\frac{1}{T}D}}{Z(T)}\\\ \frac{1}{2Z(T)}&-\frac{1}{Z(T)}&\frac{1}{2Z(T)}\\\ \end{array}\right).$ ## References * (1) A. A. Markov, Rasprostranenie zakona bol shih chisel na velichiny, zavisyaschie drug ot druga (Izvestiya Fiziko-matematicheskogo obschestva pri Kazanskom universitete), 2-ya seriya 15 135-156 (1906). * (2) M. C. Gibson, A. B. Patel, R. Nagpal and N. Perrimon, The emergence of geometric order in proliferating metazoan epithelia Nature 442 05014 (2006). * (3) J. Stander, D. P. Farrington, G. Hill and P. M. E. Altham, Markov Chain Analysis and Specialization in Criminal Careers Br J Criminol 29 317-335 (1989). * (4) K. Aas, L. Eikvil and R. B. Huseby, Applications of hidden Markov chains in image analysis Pattern Recognition 32 703-713 (1999). * (5) P. and T.Ehrenfest, Uber zwei bekannte Einwande gegen das Boltzmannsche H-Theorem Physikalische Zeitschrift 8 311-314 (1907). * (6) R. J. Glauber, Time Dependent Statistics of the Ising Model J Math Phys 4 294-307 (1963). * (7) S. W. Daniel, An Introduction to Markov Processes (Springer-Verlag, New York, 2000). * (8) M. Nicholas, R. W. Arianna, R. N. Marshall, T. H. Augusta, T. Edward, Equation of State Calculations by Fast Computing Machines J. Chem. Phys. 21 1087-1093 (1953). * (9) E. J. Newman, Complex Systems: A Survey cond-mat.stat-mech 79 800-810 (2011). * (10) R. Albert, A.L. Barabási, Statistical mechanics of complex networks Rev. Mod. Phys. 74 47-97 (2002). * (11) J. R. Norris, Markov Chains (Cambridge Series in Statistical and Probability Methematics, Cambridge U. Press, 1997.). * (12) K. Huang, Statistical Mechanics (John Wyley Inc, New York, 1963.). * (13) F. Reif, Fundamentals of Statistical and Thermal Physics (McGrawHill, New York, 1965.) * (14) Y. G. Sinai, Probability Theory : An Introductory Course by Yakov G. Sinai ( Springer Textbook Ser, New York, 1992.) * (15) Lay, David C., Linear Algebra and Its Applications (Addison Wesley, New York, 2005.) * (16) R. Sessoli and D. Gatteschi, Quantum Tunneling of Magnetization and Related Phenomena in Molecular Materials Angew. Chem. 42 268 (2003). * (17) J.J. Sakurai, Modern Quantum Mechanics (Addison-Wesley, New York, 1994.) * (18) K, Binder, D. W. Heermann, Monte Carlo Simulation in Statistical Physics : An Introductory (Springer-Verlag, New York, 2002.)
arxiv-papers
2014-02-27T20:56:24
2024-09-04T02:49:59.059894
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Vilardo da Silva Junior and Alexsandro M. Carvalho", "submitter": "Alexsandro Carvalho", "url": "https://arxiv.org/abs/1402.7067" }
1402.7108
2-categories admitting bicategories of fractions] On certain 2-categories admitting localisation by bicategories of fractions D. M. Roberts]David Michael Roberts School of Mathematical Sciences, University of Adelaide, SA 5005, DMR was supported financially by ARC grant number DP120100106, and emotionally by Mrs R. This document is released under a CC0 license <http://creativecommons.org/publicdomain/zero/1.0/> Pronk's theorem on bicategories of fractions is applied, in almost all cases in the literature, to 2-categories of geometrically presentable stacks on a 1-site. We give an proof that subsumes all previous such results and which is purely 2-categorical in nature, ignoring the nature of the objects involved. The proof holds for 2-categories that are not (2,1)-categories, and we give conditions for local essential smallness. [2000]primary 18D05; secondary 18F10, 18E35 § INTRODUCTION The area of higher geometry deals broadly with generalisations of `spaces', be they topological, differential geometric, algebro-geometric etc., that can be represented by groupoids (or higher groupoids) in the original category of spaces. Usually these go by the label differential, topological, algebraic etc. stacks, but when viewed as stacks there are more morphisms between objects than when viewed simply as internal groupoids; there are non-invertible maps of groupoids that become equivalences of the associated stacks. Pronk, in [7], formulated what it meant to localise a bicategory at a class of morphisms and introduced a bicategory of fractions that exists under certain conditions in order to construct this localisation. She then went on to show that 2-categories of differentiable, topological and algebraic stacks (of certain sorts) were indeed localisations of the 2-categories of groupoids internal to the appropriate categories. Since then, many other cases of 2-categorical localisations have been considered, using Pronk's result applied to other categories (for extensive discussion and examples see <cit.>). However, almost all of them—only two exceptions are known to the author—deal with internal groupoids and/or stacks in some setting. In this case, the 2-category in question, and the class of morphisms at which one wants to localise, satisfy some properties making available a much simpler calculus of fractions, namely anafunctors. These were introduced by Makkai [6] for the category of sets sans Choice and in the general internal setting by Bartels [2]. The author's [9] considered the case of a sub-2-category $C\into \Cat(S)$ of the 2-category of categories internal to a subcanonical site $(S,J)$, satisfying some mild closure conditions. The main result of [9] is that such 2-categories admit a bicategory of fractions at the so-called weak equivalences (also called Morita equivalences), and that anafunctors also calculate this localisation. This note serves to show that given a 2-category with the structure of a 2-site of a certain form (all covering maps must be representably fully faithful), the same result holds – namely that the bicategory of fractions of Pronk exists. One can then approach the theory of presentable stacks (on 1-sites) in a formal way, analogous to Street's formal theory of stacks [12] (cf Shulman's [11]). This result covers all others in the literature dealing with localising 2-categories of internal categories or groupoids. It may also replicate the result in [8], although the framework therein is conceptually more pleasing; the theorems of this note are definitely sufficient to imply the applications of the abstract framework of [8] Both [8], and the recent paper [1] (written in parallel with the present note), deal with constructing localisations via fibrancy/projectivity. Hom-categories in the constructions of localisations in both papers are in fact hom-categories of the original bicategory, and so one is assured of local smallness, a problem when localising any large (bi-)category, using local smallness of the original bicategory. The present note does not assume existence of enough fibrant objects or projectives to prove local (essential) smallness (<ref>). It certainly assumes less than the applications in [8] (prestacks on a subcanonical site) or [1] (internal groupoids in a regular category). Sometimes when calculating the localisation of a 2-category of internal groupoids, various authors use what are variously known as Hilsum-Skandalis morphisms or right principal bibundles (see <cit.> for discussion and references). In the more general setting of 2-sites as defined here such a definition is not possible, as one has hom-categories that are not groupoids. Additionally, composition of 1-arrows in the bicategory of internal groupoids and bibundles requires existence of pullback-stable reflexive coequalisers, an assumption not made here. Also, the definition of a bibundle between internal categories is not clear and the right notion of a map of bibundles (i.e. 2-arrows in the localisation) does not appear to be as simple as in the groupoid case. The author thanks the organisers of the Australian Category Seminar for the opportunity to present an early version this work in October 2011. Comments by the referee lead to a rethink of this paper and subsequent strengthening of the results. § PRELIMINARIES Though this paper touches lightly on the theory of bicategories, a knowledge of 2-categories is sufficient (an accessible reference is [5]). We consider our 2-categories to have one extra piece of structure, namely an analogue of a Grothendieck pretopology. A fully faithful singleton coverage on a 2-category $K$ is a class $J$ of 1-arrows satisfying the following properties: * $J$ contains the identity arrows and is closed under composition; * for all $q\colon u\to x\in J$ and 1-arrows $f\colon y\to x$, there is a square \[ \xymatrix{ v \ar[d]_k \ar[r] & u\ar[d]^q_{\ }="s" \\ y \ar[r]_{f}^{\ }="t" & x \ar@{=>}_{\simeq}"s";"t" \] with $k\in J$; * for any $q\colon u\to x$ in $J$ the functor $q_*\colon K(z,u)\to K(z,x)$ is fully faithful; Morphisms satisfying (iii) are called ff 1-arrows. A 2-site will here denote a 2-category equipped with a fully faithful singleton coverage. For brevity this paper will use the terminology 2-site even though this has been used elsewhere for something more general. Note that that $K$ is not necessarily small, but in what follows may sometimes be locally essentially small. That is, the hom-categories $K(x,y)$ are equivalent to small categories for all objects $x$ and $y$. One might think about the 1-arrows in $J$ as being something like acyclic fibrations in a category with fibrant objects, without the requirement for the existence of fibrant objects. We define the analogue of weak equivalences in this setting. A 1-arrow $x\to y$ in $(K,J)$ is called $J$-locally split if there is a map $u\to y$ in $J$ and a diagram of the form \[ \xymatrix{ & x\ar[d] \\ u \ar[r]^(.7){\ }="t" \ar[ur]_(.7){\ }="s" & y \ar@{=>}"s";"t" \] with the 2-arrow an isomorphism. A weak equivalence in $(K,J)$ is an ff 1-arrow that is $J$-locally split. The class of weak equivalences will be denoted $W_J$. As an example, take the 2-category $K$ to be $\Cat(S)$ or $\Gpd(S)$ for $(S,T)$ a finitely complete site with singleton pretopology $T$.[Recall that a singleton pretopology $T$ is a class of arrows containing all identity arrows and closed under composition and pullbacks (which must exist for arrows in $T$).] One can also take the 2-category of Lie groupoids, which is course is not finitely complete – in this instance, $T$ can be taken as the pretopology of surjective submersions. In each instance the pretopology $J=J(T)$ is defined to be the class of fully faithful functors such that the object component is a cover in $T$. Then $K$ is a 2-site, as one can take pullbacks of 1-arrows in $J$, and fully faithful functors are closed under pullback. It is an easy result <cit.> that the resulting weak equivalences in the sense of definition <ref> are the same as weak equivalences between internal categories in the sense of Bunge-Paré [3]. We shall need a more general definition for use later. Let $A$ be a class of 1-arrows in a 2-category, and $A'$ a subclass. We say $A'$ is cofinal in $A$ if for every $f\colon x\to y$ in $A$, there is a $g\colon z\to y$ in $A'$ and an $s\colon z\to x$ such that $f\circ s \simeq g$. If for every object $y$, the arrows in $A'$ with codomain $y$ comprise a set, we say $A'$ is a locally small cofinal class. Thus $J$ is cofinal in $W_J$, but we will later use classes $J' \subset J$ that do not give the structure of a 2-site as above. Given a 2-category (or bicategory) $B$ with a class $W$ of 1-arrows, we say that a 2-functor $Q\colon B \to \widetilde{B}$ is a localisation of $B$ at $W$ if it sends the 1-arrows in $W$ to equivalences in $\widetilde{B}$ and is universal with this property. This latter means that for any bicategory $A$ precomposition with $Q$, \[ Q^* \colon \Bicat(\widetilde{B},A) \to \Bicat_W(B,A), \] is an equivalence of hom-bicategories, with $\Bicat_W$ meaning the full sub-bicategory on those 2-functors sending arrows in $W$ to equivalences. The definition of a bicategory of fractions of [7] gives a reasonably convenient way to calculate the localisation at a class of arrows, satisfying properties as follows: * $W$ contains all equivalences; * $W$ is closed under composition and isomorphism; * for all $w\colon a' \to a,\ f\colon c \to a$ with $w\in W$ there exists a 2-commutative square \[ \xymatrix{ p \ar[d]_v \ar[r] & a'\ar[d]^w_{\ }="s" \\ c \ar[r]_f^{\ }="t" & a \ar@{=>}_{\simeq}"s";"t" \] with $v\in W$; if $\alpha\colon w \circ f \Rightarrow w \circ g$ is a 2-arrow and $w\in W$ there is a 1-cell $v \in W$ and a 2-arrow $\beta\colon f\circ v \Rightarrow g \circ v$ such that $\alpha\circ v = w \circ \beta$. when $\alpha$ is an isomorphism, we require $\beta$ to be an isomorphism too; when $v'$ and $\beta'$ form another such pair, there exist 1-cells $u,\,u'$ such that $v\circ u$ and $v'\circ u'$ are in $W$, and an isomorphism $\epsilon\colon v\circ u \Rightarrow v' \circ u'$ such that the following diagram commutes: \begin{equation}\label{2cf4.diag} \xymatrix{ f \circ v \circ u \ar@{=>}[r]^{\beta\circ u} \ar@{=>}[d]_{f\circ \epsilon}^\simeq & g\circ v \circ u \ar@{=>}[d]^{g\circ \epsilon}_\simeq \\ f\circ v' \circ u' \ar@{=>}[r]_{\beta'\circ u'} & g\circ v' \circ u' \end{equation} If BF1–BF4 hold, we say $(B,W)$ admits a bicategory of fractions. Given such a pair $(B,W)$, Pronk constructed a new bicategory $B[W^{-1}]$ with the same objects as $B$ and a functor $U\colon B \to B[W^{-1}]$ that is a localisation of $B$ at $W$. We will describe the (underlying graphs of the) hom-categories of $B[W^{-1}]$, since this is the most detail we need for the results below. Let $x$ and $y$ be objects of $B[W^{-1}]$ (which are just objects of $B$). The 1-arrows from $x$ to $y$ are spans \[ x \xleftarrow{w} u \xrightarrow{f} y \] where $w\in W$. The 2-arrows $(w_1,f_1) \Rightarrow (w_2,f_2)$ are represented by diagrams \[ \xymatrix{ & u_1 \ar[dl]_{w_1}^(.6){\ }="s1" \ar[dr]^{f_1}_(.6){\ }="s2"\\ x & v \ar[u]_{p_1} \ar[d]^{p_2} & y\\ & u_2 \ar[ul]^{w_2}_(.6){\ }="t1" \ar[ur]_{f_2}^(.6){\ }="t2" \ar@{=>}"s1";"t1"^\alpha \ar@{=>}"s2";"t2"_\beta \] where $w_i\circ p_i$ is in $W$ for $i=1,2$ and $\alpha$ is invertible. Two such diagrams, with data $(v,p_1,p_2,\alpha,\beta)$ and $(v',p'_1,p'_2,\alpha',\beta')$, are equivalent when there exists a diagram \[ \xymatrix{ u_1 & \ar[l]_{p'_1} v'\\ v \ar[u]^{p_1} \ar[d]_{p_2} & t \ar[l]_{q}="t1"^{\ }="s2" \ar[u]_{q'}^(.6){\ }="s1" \ar[d]^{q'}_(.6){\ }="t2" \\ u_2 & \ar[l]^{p'_2}_{\ } v' \ar@{=>}"s1";"t1"_{\gamma_1} \ar@{=>}"s2";"t2"_{\gamma_2} \] where $\gamma_1$ and $\gamma_2$ are invertible, $w_1\circ p_1\circ q$ and $w_1\circ p'_1\circ q'$ are in $W$ and \[ \noindent\makebox[\textwidth]{ \raisebox{36pt}{ \xymatrix{ & \ar[dl]_{w_1}^{\ }="s3" u_1 & \ar[l]_{p'_1} v'\\ x &v \ar[u]_{p_1} \ar[d]^{p_2} & t \ar[l]_{q}="t1"^{\ }="s2" \ar[u]_{q'}^(.6){\ }="s1" \ar[d]^{q'}_(.6){\ }="t2" \\ & \ar[ul]^{w_2}_{\ }="t3" u_2 & \ar[l]^{p'_2}_{\ } v' \ar@{=>}"s1";"t1"_{\gamma_1} \ar@{=>}"s2";"t2"_{\gamma_2} \ar@{=>}"s3";"t3"_\alpha \; = \; \raisebox{36pt}{ \xymatrix{ & \ar[dl]_{w_1}^{\ }="s" u_1 \\ x & v' \ar[u]_{p'_1} \ar[d]^{p'_2} & \ar[l]_{q'} t\;,\\ & u_2 \ar[ul]^{w_2}_{\ }="t" \ar@{=>}"s";"t"_{\alpha'} \quad \raisebox{36pt}{ \xymatrix{ v' \ar[r]^{p'_1} & u_1 \ar[dr]^{f_1}_{\ }="s3" \\ t \ar[u]^{q'}_(.6){\ }="s1" \ar[d]_{q'}^(.6){\ }="t2" \ar[r]^{q}="t1"_{\ }="s2" & v \ar[u]^{p_1}^(.6){\ } \ar[d]_{p_2}_(.6){\ }& y\\ v' \ar[r]_{p'_2}^{\ } & u_2 \ar[ur]_{f_2}^{\ }="t3" \ar@{=>}"s1";"t1"^{\gamma_1} \ar@{=>}"s2";"t2"^{\gamma_2} \ar@{=>}"s3";"t3"^\beta \; = \; \raisebox{36pt}{ \xymatrix{ & u_1 \ar[dr]^{f_1}_{\ }="s3" \\ t \ar[r]^{q'}="t1"_{\ }="s2" & v' \ar[u]^{p'_1}^(.6){\ } \ar[d]_{p'_2}_(.6){\ }& y\; .\\ & u_2 \ar[ur]_{f_2}^{\ }="t3" \ar@{=>}"s3";"t3"^{\beta'} We then define a 2-arrow of $B[W^{-1}]$ to be an equivalence class of diagrams. The following lemma is stated in more generality in [14], but we shall merely state it in terms that we need here. Let $(K,W)$ be a 2-category admitting a bicategory of fractions. Let $F_i = (x\xleftarrow{w_i} u_i \xrightarrow{f_i} y)$, $i=1,2$ be 1-arrows in $K[W^{-1}]$, and \[ \xymatrix{ v \ar[d]_{p_2} \ar[r]^{p_1} & u_1\ar[d]^{w_1}_{\ }="s" \\ u_2 \ar[r]_{w_2}^{\ }="t" & x \ar@{=>}_{\alpha}"s";"t" \] be a chosen filler, using BF3, such that $w_i\circ p_i\in W$, $i=1,2$. Then any 2-arrow $F_1 \Rightarrow F_2$ in $K[W^{-1}]$ is represented by a diagram of the form \[ \xymatrix{ & u_1 \ar[dl]^{\ }="s" & \ar@{=}[l] u_1 \ar[dr]_{\ }="s2"^{f_1}\\ x & v \ar[u]_{p_1} \ar[d]^{p_2}& v' \ar[l]_{q'} \ar[u] \ar[d]& y\\ &u_2 \ar[ul]_{\ }="t" & \ar@{=}[l] u_2 \ar[ur]^{\ }="t2"_{f_2} \ar@{=>}"s";"t"_\alpha \ar@{=>}"s2";"t2"^\beta \] where $q'\in W$. The conclusion of the lemma in [14] does not mention that $q'\in W$, but examination of the proof shows that it is so. § RESULTS The first main result is as follows: A 2-site $(K,J)$ admits a bicategory of fractions for $W_J$. We verify the conditions in the definition of a bicategory of fractions. * An internal equivalence $f\colon x\to y$ is clearly $J$-locally split. Let $g\colon y\to x$ be a pseudoinverse to $f$, and let $w$ be some object of $K$. Then $g_*$ is a pseudoinverse to $f_*$, where $f_*\colon K(w,x)\to K(w,y)$ is post-composition with $f$ (and analogously with $g_*$). But then it is a well-known fact that equivalences of categories are fully faithful, and so $f$ is a ff 1-arrow. * That the composition of ff 1-arrows is again ff, and that ff 1-arrows are closed under isomorphism follows from the analogous fact for fully faithful functors between categories. So we only need to show the same for $J$-locally split arrows. Consider the composition $g\circ f$ of two $J$-locally split arrows, \[ \xymatrix{ u \ar[d] \ar@/^.5pc/[dr]_{\ }="s1"^(.35){q}&v \ar[d]^s \ar@/^.5pc/[dr]_(.5){\ }="s2"^(.4){p}& \\ x\ar[r]_{f}^(.33){\ }="t1" & y \ar[r]_{g}^(.33){\ }="t2" & z \ar@{=>}"s1";"t1" \ar@{=>}"s2";"t2" \] The cospan $u\xrightarrow{q}y\xleftarrow{s} v$ completes to a 2-commuting square with top arrow $w \to v$ in $J$. The composite $w \to z$ is in $J$, all 2-arrows are invertible, hence $g\circ f$ is $J$-locally split. Let $w,f\colon x\to y$ be 1-arrows, $w$ be $J$-locally split and $a\colon w \Rightarrow f$ invertible. It is immediate from the diagram \[ \xymatrix{ u \ar[dd] \ar@/^.7pc/[ddrr]_{\ }="s1"^{u} \\ \\ x\ar@/^1pc/[rr]^{w}="t1"_{\ }="s2" \ar@/_1pc/[rr]_{f}^{\ }="t2" \ar@{=>}"s1";"t1" \ar@{=>}"s2";"t2"^{a} \] that $f$ is also $J$-locally split. * Let $w\colon x\to y$ be a weak equivalence, and let $f\colon z\to y$ be any other 1-arrow. From the definition of $J$-locally split, we have the diagram \[ \xymatrix{ u \ar[d] \ar@/^.5pc/[dr]_{\ }="s1"^{q}& \\ x\ar[r]_{w}^(.33){\ }="t1"&y \ar@{=>}"s1";"t1" \] We complete the cospan to get a 2-commuting diagram \[ \xymatrix{ & w \ar[dr]^{p}_{\ }="s2" \ar[dl] \\ u \ar[d] \ar@/^.5pc/[dr]_{\ }="s1"^{q}& & z \ar[dl]^f_{\ }="t2"\\ x\ar[r]_{w}^(.33){\ }="t1" & y \ar@{=>}"s1";"t1" \ar@{=>}"s2";"t2"_\alpha \] with $p\in J$, $\alpha$ invertible, and by the trivial observation $J\subset W_J$, we have $p\in W_J$ and a 2-commuting square as required. * Since $J$-equivalences are ff, given \[ \xymatrix{ &y \ar[dr]^w \\ x \ar[ur]^f \ar[dr]_g & \Downarrow \alpha & z\\ & y \ar[ur]_w \] where $w\in W_J$, there is a unique $\beta\colon f \Rightarrow g$ such that \[ \raisebox{36pt}{ \xymatrix{ &y \ar[dr]^w \\ x \ar[ur]^f \ar[dr]_g & \Downarrow \alpha & z\\ & y \ar[ur]_w \equals \raisebox{36pt}{ \xymatrix{ x \ar@/^1.5pc/[rr]^f \ar@/_1.5pc/[rr]_g& \Downarrow \beta & y \ar[r]^w & z \,. \] The existence of $\beta$ is the first half of BF4, with $v=\id_x$. Note that if $\alpha$ is an isomorphism, so is $\beta$, since $w$ is ff. Given $v'\colon t\to x \in W_J$ such that there is a 2-arrow \[ \xymatrix{ &x \ar[dr]^f \\ t \ar[ur]^{v'} \ar[dr]_{v'} & \Downarrow \beta' & y\\ & x \ar[ur]_g \] \begin{align*} \raisebox{36pt}{ \xymatrix{ & x \ar[dr]^f \\ w \ar[ur]^{v'} \ar[dr]_{v'} & \Downarrow \beta' & y \ar[r]^w & z\\ & x \ar[ur]_g \equals & \raisebox{36pt}{ \xymatrix{ && y \ar[dr]^w \\ t \ar[r]^{v'} & x \ar[ur]^f \ar[dr]_g & \Downarrow \alpha & z\\ && y \ar[ur]_w } \nonumber \\ \equals & \raisebox{36pt}{ \xymatrix{ t\ar[r]^{v'}& x \ar@/^1.5pc/[rr]^f \ar@/_1.5pc/[rr]_g &\Downarrow \beta & y \ar[r]^w & z }\, , \end{align*} then the fact $w$ is ff gives us \[ \raisebox{36pt}{ \xymatrix{ & x \ar[dr]^f \\ t \ar[ur]^{v'} \ar[dr]_{v'} & \Downarrow \beta' & y \\ & x \ar[ur]_g \equals \raisebox{36pt}{ \xymatrix{ t\ar[r]^{v'}&x \ar@/^1.5pc/[rr]^f \ar@/_1.5pc/[rr]_g &\Downarrow \beta & y }\, . \] This is precisely the diagram (<ref>) with $v=\id_x$, $u=v'$, $u'=\id_w$ and $\epsilon$ the identity 2-arrow. Hence BF4 holds. This theorem should be compared with the theorem in the paper [1] (written in independently and in parallel with the present work). The authors show there that given a class $\Sigma$ of ff arrows in a bicategory satisfying certain conditions, there is a bicategory of fractions for $\Sigma$. The class of arrows $W_J$ satisfies the conditions for a faithful calculus of fractions <cit.>, using similar arguments as the preceeding proof. The characterisation of $W_J$ as arising from a class $J$ as in definition <ref> is a means to arrive at a multitude of examples. One would like to know if the localisation of $K$ at the weak equivalences is locally essentially small. Let $K$ be a locally essentially small 2-category with a class of 1-arrows $W$ satisfying BF1–BF4. If there is a locally small cofinal set $V \subset W$ then $K[W^{-1}]$ is locally essentially small. First given any fraction $x \xleftarrow{w} u \to y$ (with $w\in W_J$) giving a 1-arrow in Pronk's construction <cit.> of $K[W^{-1}]$, there is an isomorphic 1-arrow $x\xleftarrow{v} t\to y$ where $v\in V$. Thus there are only set-many choices of backwards-pointing arrows with which to form fractions, and by local essential smallness of $K$, only set-many fractions from $x$ to $y$ up to isomorphism. To show the hom-categories $K[W^{-1}](x,y)$ are locally small, given a pair of fractions $x \xleftarrow{w_i} u_i \xrightarrow{f_i} y$, choose a filler for the cospan $u_1 \to x \leftarrow u_2$, namely \[ \xymatrix{ v \ar[r]^{p_2} \ar[d]_{p_1} & u_2 \ar[d]^{w_2}_{\ }="s"\\ u_1 \ar[r]_{w_1}^{\ }="t" & x\;. \ar@{=>}"s";"t"_\alpha \] Then arrows in the hom-category are given, by lemma <ref>, by the data of an arrow $q\colon v'\to v \in W$ and a 2-arrow $\beta\colon f_1\circ p_1 \circ q \Rightarrow f_2 \circ p_2 \circ q$ in $K$. Fixing $q$, there are only set-many arrows as shown, since $K$ is locally essentially small. Hence if we show a 2-arrow given by $(q,\beta)$ is also given (using the equivalence relation defining the 2-arrows of $K[W^{-1}]$) by $(r,\gamma)$ where $r\in V$, the hom-category is locally small. Assume we have an arrow given by the data $(q,\beta)$, and we have a second $r\in W$ and a diagram \[ \xymatrix{ & v'\ar[d]^q_{\ }="s"\\ v_0 \ar[r]_r^{\ }="t" \ar[ur]^s & v \ar@{=>}"s";"t"_\phi \] with $\phi$ invertible. Defining $\gamma$ as \[ \xymatrix{ & v \ar[r] & u_1 \ar[dr]_(.3){\ }="s2" \\ v_0 \ar[ur]^r_(.6){\ }="s1" \ar[dr]_r^(.6){\ }="t3" \ar[r]_(.9){\ }="s3"^(.9){\ }="t1" & v' \ar[u] \ar[d]&& y\\ & v \ar[r] & u_2 \ar[ur]^(.3){\ }="t2" \ar@{=>}"s1";"t1"_{\phi^{-1}} \ar@{=>}"s2";"t2"_\beta \ar@{=>}"s3";"t3"_\phi \] then one can use the span $v_0 \xleftarrow{=} v_0 \xrightarrow{s} v'$ and the 2-arrows $\phi$ and $\phi^{-1}$ to show that $(r,\gamma)$ defines the same 2-cell of $K[W^{-1}]$ as $(q,\beta)$. Given a 2-site $(K,J)$, if $K$ is locally essentially small and $J$ has a locally small cofinal set, then $K[W_J^{-1}]$ is locally essentially small. Notice that local essential smallness in not automatic. Take the category $\Sch$ of schemes (over a base scheme, if one likes). The singleton pretopology of fpqc maps (see e.g. <cit.>) is such that $(\Gpd(\Sch),J(\text{\emph{fpqc}}))$ does not satisfy the hypotheses of proposition <ref>. This is because the class of fpqc maps has no locally small cofinal set <cit.>. There are even categories that are a priori even better behaved in which proposition <ref> may fail to hold; for example toposes that are well-pointed and that have a natural number object. Such toposes are models for set theory without the Axiom of Choice, and categories internal to them are simply small categories. Examples are given by the categories of sets in models of ZF as given by Gitik (cf [15]) and Karagila [4], or the topos constructed in the author's [10]. There are many examples of 2-sites to which the results of this note apply, for instance [9] spends five pages discussing some of them. This paper will add one example that is not covered by the results of [9]. Let $S$ be a finitely complete category with a singleton pretopology $T$. Consider the 2-category $\Cat(S)$ of categories internal to $S$, with the structure of a 2-site given by example <ref>. Note that 2-sites of this form are the ones considered in the many examples in [9]. Now fix a category $X$ in $S$, and consider the lax slice 2-category $\Cat(S)/_lX$. This 2-category has as objects functors $Z \to X$, 1-arrows triangles \[ \xymatrix{ Z_1 \ar[rr]^f_(.6){\ }="s" \ar[dr]^(.7){\ }="t" && Z_2 \ar[dl]\\ & X \ar@{=>}"s";"t"^a \] and 2-arrows $(f_1,a_1) \Rightarrow (f_2,a_2)$ given by $f_1\Rightarrow f_2 \colon Z_1 \to Z_2$, commuting with $a_1$ and $a_2$. Let $J_X$ be the class of 1-arrows $(w,a)$ in $\Cat(S)/_lX$ such that $w\in J$, for $J$ as given in the previous paragraph, and $a$ is invertible. Likewise we have the slice 2-category $\Cat(S)/X$, where arrows $(f,a)$ have $a$ invertible, and the slice 2-category $\Gpd(S)/X$ where $X$ is an internal groupoid. These three examples are locally small 2-categories when $S$ is a locally small category. The class of arrows $J_X$ makes $(\Cat(S)/_lX,J_X)$ a 2-site. The same statement holds for $(\Cat(S)/X,J_X)$ and $(\Gpd(S)/X,J_X)$, mutatis mutandis. That $J_X$ is closed under composition and contains identity arrows is immediate. We can specify a strict pullback of a map $(w,a)\colon U\to Z$ in $J_X$ along $(f,b)\colon Y\to Z$, given a strict pullback \begin{equation}\label{eq:str_pullback_for_lifting} \xymatrix{ Y\times_Z U \ar[r]^{\tilde{f}} \ar[d]_{\tilde{w}} &U \ar[d]^w\\ Y \ar[r]_f & Z \end{equation} of $w$ along $f$, as follows: let the map $Y\times_Z U \to X$ be the composite $Y\times_Z U \xrightarrow{\tilde{w}} Y \to X$. The map $Y\times_Z U \to Y$ in $\Cat(S)/_lX$ is $(\tilde{w},\id)$, and as $\tilde{w} \in J$ and $\id$ is invertible, this is in $J_X$ as required. The map $Y\times_Z U \to U$ is $(\tilde{f},c)$ where $c$ is \[ \xymatrix{ & U \ar[dr]^(.8){\ }="t1" \ar@/^1pc/[drr]_{\ }="s1"\\ Y\times_Z U \ar[dr]_{\tilde{w}} \ar[ur]^{\tilde{f}} && Z \ar[r] & X\\ & Y \ar[ur]_(.8){\ }="s2" \ar@/_1pc/[urr]^{\ }="t2" \ar@{=>}"s1";"t1"^{a^{-1}} \ar@{=>}"s2";"t2"^{b} \] It is then easy to check that (<ref>) lifts to a commuting square in $\Cat(S)/_lX$. To see that an arrow $(w,a)$ in $J_X$ is ff, we use the fact that given a diagram \[ \xymatrix{ &Z_2 \ar[dr]^{(w,a)}_(.4){\ }="s" \\ Z_1 \ar[ur]^{(f,b)} \ar[dr]_{(g,c)} && Y\\ & Z_2 \ar[ur]_{(w,a)}^(.4){\ }="t" \ar@{=>}"s";"t"_{\alpha} \] in $\Cat(S)/_lX$, we can find a unique $\beta\colon f\Rightarrow g\colon Z_1 \to Z_2$ in $\Cat(S)$ such that $\id_w\circ \beta = \alpha$. To see that $\beta$ lifts to a 2-arrow in $\Cat(S)/_lX$, we paste $a^{-1}$ and the 2-arrow \[ \xymatrix{ Z_1 \ar@/^.8pc/[rr]^f_{\ }="s1" \ar@/_.8pc/[rr]_g^{\ }="t1" \ar@/_.4pc/[drr]^(.6){\ }="t2" && Z_2 \ar[r]^w \ar[d]_(.4){\ }="s2"^{\ }="t3" & Y \ar@/^.4pc/[dl]_(.2){\ }="s3"\\ && X \ar@{=>}"s1";"t1"^\beta \ar@{=>}"s2";"t2"^c \ar@{=>}"s3";"t3"^a \] and get $b$, the required condition to give a 2-arrow in $\Cat(S)/_lX$. The 2-cateories $\Cat(S)/_lX$, $\Cat(S)/X$ and $\Gpd(S)/X$ admit bicategories of fractions for the classes $W_{J_X}$ of weak equivalences. If we assume that $J$ satisfies the condition WISC from [9] (namely all slices $J/x$ have a weakly initial set), then $W_{J_X}$ has a locally small cofinal class; the localisations above are then locally essentially small. These 2-categories are not examples of 2-categories of internal categories or groupoids in some 1-category, so are not covered by the results of [9]. Given a 2-site $(K,J)$, if every arrow $j\colon u\to x\in J$ is such that $j^*\colon K(x,z) \to K(u,z)$ is fully faithful, then one can construct a simpler model for the localisation $K[W_J^{-1}]$, where 2-arrows are no longer equivalence classes of diagrams, but given by individual diagrams. This condition holds for 2-sites of the form $(\Cat(S),J(T))$ where $T$ is a subcanonical singleton pretopology (as well as various sub-2-categories) [9]. This approach will be taken up in future work. Finally, note that nothing in the above relies on $K$ being a (2,1)-category, namely one with only invertible 2-arrows. This is usually assumed for results subsumed by theorem <ref>, but is unnecessary in the framework presented here. [1] O. Abbad and E.M. Vitale. Faithful calculus of fractions. Cahiers de Topologie et Géométrie Différentielle Catégoriques 54 (2013), 221–239. [2] T. Bartels. Higher gauge theory I: 2-Bundles. Ph.D. thesis, University of California Riverside. [3] M. Bunge and R. Paré. Stacks and equivalence of indexed categories. Cahiers Topologie Géom. Différentielle 20 (4) (1979), 373–399. [4] A. Karagila. Embedding orders into cardinals with $DC_\kappa$. Fundamenta Mathematicae 226 (2014), 143–156. [5] T. Leinster. Basic bicategories. arXiv:math.CT/9810017, 1998. [6] M. Makkai. Avoiding the axiom of choice in general category theory. J. Pure Appl. Algebra 108 (1996), 109–173. [7] D. Pronk. Etendues and stacks as bicategories of fractions. Compositio Math. 102 (3) (1996), 243–303. [8] D. Pronk and M. Warren. Bicategorical fibration structures and stacks. Theory and Applications of Categories 29 (29) (2014), [9] D. M. Roberts. Internal categories, anafunctors and localisation. Theory Appl. Categ. 26 (29) (2012), 788–829. [10] D. M. Roberts. The weak choice principle WISC may fail in the category of Studia Logica (2015), [11] M. Shulman. Exact completions and small sheaves. Theory Appl. Categ. 27 (2012), 97–173. [12] R. Street. Two-dimensional sheaf theory. J. Pure Appl. Algebra 23 (3) (1982), 251–270. [13] The Stacks Project Authors. Stacks Project. <http://stacks.math.columbia.edu>, 2015. [14] M. Tommasini. Some insights on bicategories of fractions - I, arXiv:1410.3990, 2014. [15] B. van den Berg and I. Moerdijk. The axiom of multiple choice and models for constructive set Journal of Mathematical Logic 14 (1). [16] A. Vistoli. Grothendieck topologies, fibred categories and descent In Fundamental algebraic geometry, Math. Surveys. Monogr., Volume 123 (Amer. Math. Soc., Providence, RI, 2005), 1–104. arXiv:math/0412512. Available from
arxiv-papers
2014-02-28T00:05:39
2024-09-04T02:49:59.067835
{ "license": "Public Domain", "authors": "David Michael Roberts", "submitter": "David Roberts", "url": "https://arxiv.org/abs/1402.7108" }
1402.7132
# Fractal Signatures in Analogs of Interplanetary Dust Particles Nisha Katyal1, Varsha Banerjee2 and Sanjay Puri1 1 School of Physical Sciences, Jawaharlal Nehru University, New Delhi – 110067, India. 2 Department of Physics, Indian Institute of Technology, Hauz Khas, New Delhi – 110016, India ###### Abstract Interplanetary dust particles (IDPs) are an important constituent of the earth’s stratosphere, interstellar and interplanetary medium, cometary comae and tails, etc. Their physical and optical characteristics are significantly influenced by the morphology of silicate aggregates which form the core in IDPs. In this paper we reinterpret scattering data from laboratory analogs of cosmic silicate aggregates created by Volten et al. [1], to extract their morphological features. By evaluating the structure factor, we find that the aggregates are mass fractals with a mass fractal dimension $d_{m}\simeq 1.75$. The same fractal dimension also characterizes clusters obtained from diffusion limited aggregation (DLA). This suggests that the analogs are formed by an irreversible aggregation of stochastically-transported silicate particles. ###### keywords: silicate cores, interplanetary dust particles, structure factor, mass fractals, diffusion limited aggregation. ††journal: Journal of Quantitative Spectroscopy & Radiative Transfer, ## 1 Introduction Fractal geometries provide a description for many forms in Nature such as coastlines, trees, blood vessels, fluid flow in porous media, burning wavefronts, dielectric breakdown, diffusion-limited-aggregation (DLA) clusters, bacterial colonies, colloidal aggregates, etc. [2, 3, 4]. They exhibit self-similar and scale-invariant properties at all levels of magnification and are characterized by a non-integer fractal dimension. These features arise because the underlying processes have an element of stochasticity in them. Such processes play an important role in shaping the final morphology, and their origin is distinctive in each physical setting. Irregular and rough aggregates have also been observed in the astronomical context. Naturally found cosmic dust aggregates, known as interplanetary dust particles (IDPs), are collected in earth’s lower stratosphere. They are formed when dust grains collide in a turbulent circumstellar dust cloud such as the solar nebula, and are an important constituent of the interstellar medium, interplanetary medium, cometary comae and tails, etc. Mass spectroscopy analysis of IDPs have revealed that their primary constituents are (i) silicates of Fe, Mg, Al and Ca, (ii) complex organic molecules of C, H, O and N, (iii) small carbonaceous particles of graphite, coal and amorphous carbon and (iv) ices of CO2, H2O and NH3 [5, 6, 7, 8, 9]. Amongst these, there is an exclusive abundance of silicates which aggregate to form particle cores. They have been described as fluffy, loosely-structured particles with high porosity. The other constituents contribute to the outer covering or the mantle and are usually contiguous due to flash heating from solar flares and atmospheric entry [10]. The core, being deep inside retains its morphology. The latter is believed to have a fractal organization characterized by a fractal dimension, but this belief is not on firm grounds as yet [11, 12]. As the core morphology affects the physical and optical characteristics of IDPs, its understanding has been the focus of several recent works [13, 14, 15, 16, 17, 18]. Two classes of stochastic fractals are found in nature. The first class is that of surface fractals whose mass $M$ scales with the radius of gyration $R$ in a Euclidean fashion, i.e., $M\sim R^{d}$, where $d$ is the dimensionality. However, the surface area $S$ increases with the radius as $S\sim R^{d_{s}}$, where $d_{s}$ is the surface fractal dimension and $d-1\leq d_{s}<d$ [19]. Interfaces generated in fluid flows, burning wavefronts, dielectric breakdown and deposition processes are examples of surface fractals. The second class is that of mass fractals which obey the scaling relationship, $M\sim R^{d_{m}}$, where $d_{m}$ is the mass fractal dimension and $1\leq d_{m}<d$. Examples of mass fractals are DLA clusters, bacterial colonies and colloidal agregates. Further, in many situations, mass fractals are bounded by surface fractals [2, 3, 4]. As a matter of fact, the above mass fractals belong to this class. There are many unanswered questions in the context of fluffy cores or silicate aggregates of IDPs. For example, are they mass fractals, bounded by surface fractals? What is their mass and surface fractal dimension? What kind of aggregation mechanisms are responsible for this morphology? What are the consequences of fractal organization on the evolution of clusters? In this paper, we provide answers to some of these questions using the real-space correlation function $C\left(r\right)$ and the momentum-space structure factor $S\left(k\right)$. Smooth morphologies are characterized by the Porod law [20, 21]. The signature of fractal domains and interfaces is a power-law decay with non-integer exponents in $C\left(r\right)$ and $S\left(k\right)$. As typical experimental morphologies are smooth on some length scales and fractal on others, the behaviors of $C\left(r\right)$ vs. $r$ and $S\left(k\right)$ vs. $k$ are characterized by cross-overs from one form to another. We identify these features in laboratory analogs of cores of IDPs created by Volten et al. using magnesio-silica grains, by reinterpreting their light-scattering data [1]. We find that these aggregates are mass fractals with a fractal dimension $d_{m}\simeq 1.75$. The same fractal dimension characterizes diffusion limited aggregation (DLA). We therefore infer that aggregation mechanisms of silicate cores in IDPs are stochastic and irreversible as in DLA. This paper is organized as follows. In Section 2, we describe the tools for morphology characterization and their usage to obtain mass and surface fractal dimensions. In Section 3, we describe the experimental analogs of silicate cores in IDPs and obtain the structure factor from their light scattering data to extract fractal properties. In Section 4, we present a simulation of the DLA cluster, and the evaluation of its structure factor and the corresponding mass fractal dimension. Finally, we conclude with a summary and discussion of our results in Section 5. ## 2 Tools for Morphology Characterization A standard tool to obtain information about sizes and textures of domains and interfaces is the two-point spatial correlation function [21]: $C\left(r\right)=\langle\psi\left(\vec{r_{i}}\right)\psi\left(\vec{r_{j}}\right)\rangle-\langle\psi\left(\vec{r_{i}}\right)\rangle\langle\psi\left(\vec{r_{j}}\right)\rangle,$ (1) where $\psi\left(\vec{r_{i}}\right)$ is an appropriate order parameter and $r=|\vec{r_{i}}-\vec{r_{j}}|$. (We assume the system to be translationally invariant and isotropic.) The angular brackets denote an ensemble average. The scattering of a plane wave by a rough morphology can yield useful information about the texture of the domains and interfaces in it. Thus, small-angle scattering experiments (using X-rays, neutrons, etc.) can be used to probe their nature. The intensity of the scattered wave in these experiments yields the momentum-space structure factor, which is the Fourier transform of the correlation function [20, 21, 22, 23]: $S(\vec{k})=\int\mbox{d}\vec{r}e^{i\vec{k}\cdot\vec{r}}C\left(\vec{r}\right),$ (2) where $\vec{k}$ is the wave-vector of the scattered beam. The properties of $C\left(r\right)$ and $S\left(k\right)$ provide deep insights into the nature of the scattering morphology. Consider a domain of size $\xi$ formed by spherical particles of size $a$, as depicted schematically in Fig. 1(a). The typical interfacial width $w$, is also indicated. This prototypical morphology could represent a colloidal aggregate, soot particles, a DLA cluster, etc. The correlation function for such a morphology can be approximated by $\displaystyle 1-C\left(r\right)=\bar{C}\left(r\right)\simeq\left\\{\begin{array}[]{ll}Ar^{\alpha},&\quad w\ll r\ll\xi,\\\ Br^{\beta},&\quad r\ll w\ll a,\\\ Cr^{\gamma}&\quad r\ll a.\end{array}\right.$ (6) The first term conveys information about the domain texture probed by length scales $w\ll r\ll\xi$. If the domain has no internal structure, $\alpha$ = 1 signifying Porod decay [20, 21]. For a fractal domain, on the other hand, $\alpha$ = $d_{m}-d$ where $d_{m}$ is the mass fractal dimension [22, 23]. The second term conveys information about the properties of the interface, probed by lengths $a\ll r\ll w$. For fractal interfaces, $0\leq\beta<1$, and $\beta$ is related to the fractal dimension as $d_{s}=d-\beta$ [24]. The third term is significant only if the building blocks are particles of diameter $a$. In that case, $\gamma=1$ for $r\lesssim a$, yielding a Porod regime at a microscopic length scale. In Fourier space, Eq. (6) translates into the following power-law behavior of the structure factor: $\displaystyle S\left(k\right)\simeq\left\\{\begin{array}[]{ll}\tilde{A}k^{-(d+\alpha)},&\quad\xi^{-1}\ll k\ll w^{-1},\\\ \tilde{B}k^{-(d+\beta)},&\quad w^{-1}\ll k\ll a^{-1},\\\ \tilde{C}r^{-(d+\gamma)}&\quad a^{-1}\ll k.\end{array}\right.$ (10) The Porod decay of the form $k^{-\left(d+1\right)}$ in the scattered intensity is typical of smooth domains or sharp interfaces [20, 21]. A deviation from this behavior to $S(k)\sim k^{-(d\pm\theta)}$ is indicative of a fractal structure in the domains or interfaces. When physical structures have multiple length-scales, one or more terms in Eqs. (6) and (10) may contribute. Their presence is characterized by cusps in the correlation function, and corresponding power-laws in the structure factor [25]. We illustrate the power laws and cross-overs discussed above in the context of the 2-$d$ morphology depicted in Fig. 1(a). It should be noted that both the domain and the interfacial boundary in this schematic are rough, self-similar fractals. The structure factor $S\left(k\right)$ vs. $k$ for this morphology obtained from the Fourier transform of the spherically-averaged correlation function $C\left(r\right)$ vs. $r$ is plotted in Fig. 1(b) on a log-log scale. This function exhibits two distinct regimes over large and small values of $k$ as seen from the best fit lines: power-law decay with $S\left(k\right)\sim k^{-1.71}$ for $\xi^{-1}\ll k\ll w^{-1}$ and a Porod decay with $S\left(k\right)\sim k^{-3}$ for $a^{-1}\ll k$. With reference to Eqs. (6) and (10), the power law decay signifies a fractal domain morphology with a mass fractal dimension $d_{m}\approx 1.71$ while the Porod decay is due to the smooth surface of the particles. The structure factor corresponding to wave vectors in the interval $w^{-1}\ll k\ll a^{-1}$ is due to scattering from the rough fractal interfaces. However it difficult to identify the corresponding power law with precision due to cross-overs effects from the adjoining mass fractal and Porod regimes. ## 3 Analysis of Silicate Cores We now investigate the morphological characteristics of silicate cores using the correlation function and the structure factor. As real samples are scarce, it has been customary to create them in the laboratory using a condensation flow apparatus followed by flash heating to mimic the environment required for the formation of cosmic silicates and circumstellar dust. A significant contribution in this context is the work of Volten et al. [1]. They created a variety of magnesio-silica samples with (relative) concentrations typical of silicate cores in IDPs [26]. The mixed grains in these samples formed interconnected, tangled chains ranging from open structures to dense structures, thereby yielding samples of varied porosities. We calculate $S\left(k\right)$ for two such analogs: Sample 1 has an equal proportion of Mg and Si; and Sample 2 has Mg and Si in the ratio 1.4:1. These samples have a porosity of $\sim 40\%$ [1, 26]. Fig. 2(a) reproduces a prototypical TEM image of an ultra-thin section sliced through MgSiO particles prepared by Volten et al. (The image is reproduced from [1] with permission from the authors.) They are organized in the form of small fluffy aggregates organized in a contiguous but porous morphology [1] Volten et al. then obtained light-scattering data for the samples using the Amsterdam light scattering database. The light-scattering properties were measured at a wavelength of 632.8 nm with the range of scattering angles from $5^{\circ}$ to $174^{\circ}$, in steps of $1^{\circ}$. These measurements yielded the scattering matrix elements as a function of scattering angle $\theta$. The inset of Fig. 2(b) plots scattering phase function $S_{11}$ vs. $\theta$. We convert this data in terms of the magnitude of the scattering wave-vector by the transformation $k=4\pi/\lambda\ \mbox{sin}(\theta/2)$. The transformed data sets are presented in Fig. 2(b) on a log-log scale. The intermediate-$k$ region is linear on this plot, implying a power-law dependence between the scattering intensity $S(k)$ and the scattering wave- vector $k$. The best-fit line (shown alongside) has a slope of $-1.75$. From Eqs. (6)-(10) and the accompanying discussion, it is clear that the fluffy aggregates of Samples 1 and 2 are mass fractals with a mass fractal dimension $d_{m}\simeq 1.75$. ## 4 Diffusion Limited Aggregation A relevant question now is: What kind of mass-transport mechanisms lead to fluffy aggregates with $d_{m}\simeq 1.75$? To answer this question, we create aggregates of particles using the DLA model. We performed this simulation on a cubic lattice adopting the algorithm introduced by Meakin [27]: (i) A particle is placed at the origin or the center of the cube. (ii) A new particle is released at a distance $R$ from the center and performs a random walk. (iii) On encountering an occupied neighboring site, it adheres irreversibly to it. Steps (ii) and (iii) are repeated several times to obtain a DLA cluster. To mimic the morphology (of several small aggregates) observed in the TEM micrograph of Fig. 2(a), we simulate a DLA cluster ($d=3$) using multiple seeds. Each seed initiates a sub-cluster using the above procedure. We allow the sub-clusters to grow till they form a contiguous, yet delicately branched, self-similar structure. Fig. 3(a) depicts such a prototypical multi-seed cluster built from $\sim 10^{4}$ particles. We also show a slice of this morphology ($d=2$) in Fig. 3(b). It contains two initial seeds, marked in red. Notice here the similarity of this slice with the open contiguous structure in the TEM image of Fig. 2(a). Next, we quantify the morphology of Fg. 3(a) by evaluating the spherically-averaged structure factor $S(k)$, which is shown in Fig. 3(c) on a log-log scale. The power-law behavior at intermediate values of $k$ fits best to a line with slope $-1.75$. With reference to Eq. (10) and the discussion thereafter, DLA clusters are mass fractals with $d_{m}\simeq 1.75$. In view of these observations, we infer that the aggregates obtained in the experiments of Volten et al. with $d_{m}\simeq 1.75$ are due to irreversible aggregation of stochastically transported silicate particles. ## 5 Conclusion Interstellar dust particles (IDPs) found in the earth’s stratosphere are an important constituent of cosmic matter. These comprise of loosely structured silicate cores or aggregates ensconced in a mantle of organic and carbonaceous compounds [5, 6, 7, 8, 9]. The organization and optical characteristics of the IDPs are greatly influenced by the morphology of the core. In this paper, we have re-interpreted scattering data from laboratory analogs of silicate cores in IDPs created by Volten et al. [1] using the correlation function $C(r)$ and the structure factor $S(k)$. This analysis has provided us a means to quantify characteristics such as the size and texture of these aggregates. The presence of fractal architecture is characterized by power laws with non-integer exponents in the structure factor. We found that the silicate aggregates are mass fractals with a fractal dimension $d_{m}\simeq 1.75$. This value of $d_{m}$ is the same as the fractal dimension of aggregates obtained in a diffusion limited aggregation model. We therefore conclude that the aggregates are formed by an irreversible aggregation of stochastically transported silicate particles. We have also studied the effect of density of particles on the fractal dimension. Our observation is that $d_{m}$ approaches the Euclidian dimension ($d=3$) with increasing density. Further, we wish to emphasize that $C(r)$ and $S(k)$ contain information averaged over all domains and interfaces in contrast to the conventionally used (local) box-counting procedures. Our estimates of $d_{m}$ are therefore very accurate. For confirmation of our results and further insights, we require data from real cosmic dust and cometary particles. We understand that it is difficult to obtain light scattering data from stellar objects. Alternatively, information providing depth profiles of these assemblies could also be used to evaluate the $C(r)$ and $S(k)$. As discussed above, they are excellent tools for morphology characterization especially due to their direct experimental relevance. More generally, micro-scale phenomena are characterized by mass- dependent diffusion, i.e., the diffusion rate $D(m)\sim m^{-\alpha}$, where $m$ is the mass or number of particles in the cluster and $\alpha$ is a system-specific parameter [25]. The fractal characteristics of aggregates are greatly influenced by $\alpha$. We are presently investigating them to quantify this influence. We hope that such analyses will enhance our understanding of diffusion mechanisms in mega-scale systems found in the cosmic environment. ## Acknowledgements The authors would like to thank the anonymous refeeres for their constructive comments that helped to improve the quality of the paper. VB would like to acknowledge the support of DST Grant No. SR/S2/CMP-002/2010. ## References * [1] Volten, H., Munoz, O., Hovenier, J.W., Rietmeijer, F.J.M., Nuth, J.A., Waters, L.B.F.M., et al, 2007, Astron Astrophys, 470, 377. * [2] Mandelbrot, B. B., The Fractal Geometry of Nature (W. H. Freeman, 1982). * [3] Barabasi, A. L. and Stanley, H. E., Fractal Concepts in Surface Growth (Cambridge University, 1995). * [4] Vicsek, T., Fractal Growth Phenomena (World Scientific, 1992). * [5] Greenberg, J. M., 1989, From interstellar dust to comet dust and inteplanetary particles, in Highlights of Astronomy, Vol. 8, 241–250. * [6] Greenberg, J. M., 1998, Earth, Moon and Planets, Vol. 82-83, Issue 0, pp 313-324. * [7] Rietmeijer, F. J. M., 2002, Chem. Erde, 62, 1. * [8] Tsuchiyama, A., Uesugi, K., Nakano, T., Okazaki, T., Nakamura. K, Nakamura. T., Noguchi, T. and Yano, H., 2006, Annual Lunar and Planetary Science Conference XXXVII, Texas, abstract no. 2001. * [9] Cuppen, H. M., and E. Herbst, 2007, Simulation of the Formation and Morphology of Ice Mantles on Interstellar Grains, ApJ, 668, 294. * [10] Rietmeijer, F. J. M., 1996, Meteoritics Planet Sci., 31, 237. * [11] Rietmeijer, F. J. M., 1993, Earth Planet. Sci. Lett., 117, 609. * [12] Rietmeijer, F. J. M. and Nuth III, J. A., 2004, ASSL Vol. 311: The New Rosetta Targets. Observations, Simulations and Instrument Performances, ed. L. Colangeli, E.M. Epifani, and P. Palumbo (Astrophys. Space Sci. Library, Kluwer Academic Publishers), 97-110. * [13] Messenger, S., Keller, L. P., Stadermann, F. J., Walker, R. M., Zinner, E., 2003, Science, 300, 105. * [14] Min, M., Waters, L. B. F. M., Koter, A. de., Hovenier, J. W., Keller, L. P., Markwich-Kemper, F., 2007, A & A, 486, 779. * [15] Henning, T., 2010, Annu. Rev. Astron. Astrophys., 48, 21-46. * [16] Vaidya, D. B. and Gupta, R., 2011, A&A, 528, A57. * [17] Botet, R. and Rakesh R., 2013, Earth Planets Space, Vol. 65 (No. 10), pp. 1133. * [18] Katyal, N., Gupta, R. and Vaidya, D. B., 2013, PASP, Vol. 125, 1443. * [19] Hurd, A. J., Schaefer, D. W. and Martinn, J. E., 1987, Phys. Rev. A, 35, 2361. * [20] Porod, G., in Small-Angle X-Ray Scattering, edited by O. Glatter and O. Kratky (Academic Press, New York, 1982); Oono, Y. and Puri, S., Mod. Phys. Lett. B 2, 861 (1988). * [21] Kinetics of Phase Transitions, edited by S. Puri and V.K. Wadhawan, Taylor and Francis, Boca Raton (2009). * [22] Sorensen, C. M., 2001, Aerosol Sci. Tech., 35, 648. * [23] Oh, C. and Sorensen, C. M., 1997, Phys. Rev. E, 193, 17. * [24] Mildner, D. R. R. and Hall, P. L., 1986, J. Phys. D: Appl. Phys., 19, 1535. * [25] Shrivastav, G.P., Banerjee, V. and Puri, S. 2010, Eur. Phys. J. B, 78, 217. * [26] Rietmeijer, F. J. M. (1998) Interplanetary Dust Particles. In Planetary Materials, Reviews in Mineralogy, vol. 36 (J.J. Papike, ed.), 2-1 – 2-95, Mineralogical Society of America, Chantilly, Virginia. * [27] Meakin, P., 1983, Phys. Rev. A, 27, 1495. Figure 1: (a) A typical morphology of a domain of size $\xi$ formed by spherical particles of size $a$ is depicted. (b) Log-log plot of structure factor of the morphology as shown in (a). A power-law decay with a slope of -1.71 signifies a fractal morphology whereas a slope of -4 signifies a Porod law decay due to smooth morphology of the overall domain at that particular length scale. Figure 2: (a) TEM image of a section sliced through a fluffy MgSiO particle consisting of several small aggregates of magnesio-silica grains forming a contiguous, yet porous structure [1]. (b) Scattering intensity $S(k)$ as a function of scattering wave-vector $k$ for Samples 1 and 2 on a log-log scale. A line of slope $-1.75$ fits well to the intermediate-$k$ data. The original experimental data from Ref. [1], showing the variation of scattering phase function $S_{11}$ as a function of scattering angle $\theta$, is provided in the inset. Figure 3: (a) Computer generated DLA cluster ($d=3$) with multiple seeds obtained from $\sim 10^{4}$ particles. (b) A slice ($d=2$ of the DLA cluster depicting two initial seeds (red) and the delicately branched, self-similar contiguous growth. (c) Spherically averaged structure factor, $S(k)$ vs. $k$, on a log-log scale for the DLA cluster in (a). The power-law behavior in the intermediate-$k$ regime yields the mass fractal dimension $d_{m}\simeq 1.75$.
arxiv-papers
2014-02-28T05:02:50
2024-09-04T02:49:59.076123
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Nisha Katyal, Varsha Banerjee and Sanjay Puri", "submitter": "Nisha Katyal", "url": "https://arxiv.org/abs/1402.7132" }
1402.7152
# Non-maximal Tripartite Entanglement Degradation of Dirac and Scalar fields in Non-inertial frames Salman Khan† [email protected] Niaz Ali Khan‡ M. K. Khan‡ †Department of Physics, COMSATS Institute of Information Technology, Chak Shahzad, Islamabad, Pakistan. ‡Department of Physics, Quaid-i-Azam University, Islamabad, Pakistan. (December 27, 2013) ###### Abstract The $\pi$-tangle is used to study the behavior of entanglement of a nonmaximal tripartite state of both Dirac and scalar fields in accelerated frame. For Dirac fields, the degree of degradation with acceleration of both one-tangle of accelerated observer and $\pi$-tangle, for the same initial entanglement, is different by just interchanging the values of probability amplitudes. A fraction of both one-tangles and the $\pi$-tangle always survives for any choice of acceleration and the degree of initial entanglement. For scalar field, the one-tangle of accelerated observer depends on the choice of values of probability amplitudes and it vanishes in the range of infinite acceleration, whereas for $\pi$-tangle this is not always true. The dependence of $\pi$-tangle on probability amplitudes varies with acceleration. In the lower range of acceleration, its behavior changes by switching between the values of probability amplitudes and for larger values of acceleration this dependence on probability amplitudes vanishes. Interestingly, unlike bipartite entanglement, the degradation of $\pi$-tangle against acceleration in the case of scalar fields is slower than for Dirac fields. PACS: 03.65.Ud, 03.67.Mn, 04.70.Dy Keywords: Tripartite entanglement, Noninertial frame Entanglement, Noninertial frames ###### pacs: 03.65.Ud, 03.67.Mn, 04.70.Dy ††preprint: ## I Introduction One of the potential resources for all kinds of quantum information tasks is entanglement. It is among the mostly investigated properties of many particles systems. Since the beginning of the birth of the fields of quantum information and quantum computation, it has been the pivot in different perspective to bloom up these fields to be matured for technological purposes Many1 . The recent development by mixing up the concepts of relativity theory with quantum information theory brought to fore the relative behavior of entanglement Alsing1 ; Alsing2 ; Alsing3 ; Fuentes . These studies show that entanglement not only depends on acceleration of the observer but also strongly depends on statistics. For practical application in most general scenario, it is essential to thoroughly investigate the behavior of entanglement and hence of different protocols (such as teleportation) of quantum information theory using different statistics in curved spacetime. The observer dependent character of entanglement under various setup for different kinds of fields have been studied by a number of authors. For example, the entanglement between two modes of a free maximally entangled bosonic and fermionic pairs is studied in Alsing2 ; Alsing3 , between to modes of noninteracting massless scalar field is analyzed in Fuentes , between free modes of a free scalar field is investigated in Adesso . Similarly, the dynamics of tripartite entanglement under different situation for different fields has also been studied. For example, in Ref. Hwang the degradation of tripartite entanglement between the modes of free scalar field due to acceleration of the observer is investigated. All these studies are carried by taking single mode approximation. The behavior of entanglement in accelerated frame beyond the single mode approximation is studied in Ref. Bruchi . The effect of decoherence on the behavior of entanglement in accelerated frame is studied in Ref. Salman . All these and many other related works show that entanglement in the initial state is degraded when observed from the frame of an accelerated observer. On the other hand, there are studies which show, counter intuitively, that the Unruh effect not only degrade entanglement shared between an inertial and an accelerated observer but also amplify it. Ref. Montero studies such entanglement amplification for a particular family of states for scalar and Grassman scalar fields beyond the single mode approximation. A similar entanglement amplification is reported for fermionic system in Ref. Kown . There are a number of other good papers on the dynamics of entanglement in accelerated frames which can be found in the list Pan2 . It is well known that considering correlations between the modes of stationary observer with both particle and anti-particle modes in the two causally disconnected regions in the Rindler spacetime provides a broad view for quantum communications tasks. Such considerations enable the stationary observer to setup communication with either of the two disconnected regions or with both at the same time Martin2 . This is possible by considering the formalism of quantum communication in the limit of beyond single mode approximation Bruchi . In the same work it is shown that the single mode approximation holds for some family of states under appropriate constraints. On the other hand, it has also been suggested that the single mode approximation is optimal for quantum communication between the stationary observer and the accelerated observer Hosler . For the purpose of this paper we will use the later approach. In this paper, we investigate the dependence of the behavior of a nonmaximal tripartite entanglement of both Dirac and scalar fields on the acceleration of the observer frame and on the entanglement parameter that describes the degree of entanglement in the initial state. We show that the degradation of entanglement with acceleration not only depends on the degree of initial entanglement but also depends on the individual values of the normalizing probability amplitudes of the initial state. We consider three observers ($i=A,B,C$), Alice Bob and Charlie, in Minkowski space such that each of them observes only one part of the following nonmaximal initial tripartite entangled state $\left|\psi_{\omega_{A},\omega_{B},\omega_{C}}\right\rangle=\alpha\left|0_{\omega_{A}}\right\rangle_{A}\left|0_{\omega_{B}}\right\rangle_{B}\left|0_{\omega_{C}}\right\rangle_{C}+\sqrt{1-\alpha^{2}}\left|1_{\omega_{A}}\right\rangle_{A}\left|1_{\omega_{B}}\right\rangle_{B}\left|1_{\omega_{C}}\right\rangle_{C},$ (1) where $\left|m_{\omega_{i}}\right\rangle$ for $m\in(0,1)$ are the Minkowski vacuum and first excited states with modes specified by the subscript $\omega_{i}$ and $\alpha$ is a parameter that specify the degree of entanglement in the initial state. Under the single mode approximation Bruchi $\omega_{A}\sim\omega_{B}\sim\omega_{C}=\omega,$ we can write $\left|m_{\omega_{i}}\right\rangle=\left|m\right\rangle_{i}$. Instead of being all the time in an inertial frame, if the frame of one of the observers, say Charlie, suddenly gets some uniform acceleration $a$, then, the Minkowski vacuum and excited states change from the perspective of the accelerated observer. The appropriate coordinates for the viewpoint of an accelerated observer are Rindler coordinates AsPach ; Martin ; Bruchi ; Brown2 . The Rindler spacetime for an accelerated observer splits into two regions, $\mathrm{I}$ (right) and $\mathrm{II}$ (left), that are separated by Rindler horizon and thus are causally disconnected from each other. The Rindler coordinates $(\tau,\xi)$ in region $\mathrm{I}$ are defined in terms of the Minkowski coordinates $(t,x)$ as follows $t=\frac{1}{a}e^{a\xi}\sinh(a\tau),\qquad x=\frac{1}{a}e^{a\xi}\cosh(a\tau).$ (2) An exact similar transformation holds between the coordinates for the Rindler region $\mathrm{II}$, however, each coordinate differ by an overall minus sign. These new coordinates allow us to perform a Bogoliubov transformation between the Minkowski modes of a field and Rindler modes. The Rindler modes in the two Rindler regions form a complete basis in terms of which the Minkowski modes can be expanded. Thus any state in Minkowski space can be represented in Rindler basis as well. However, an accelerated observer in Rindler region $\mathrm{I}$ has no access to information in Rindler region $\mathrm{II}$. The degree of entanglement of modes in each Rindler region with the modes of inertial observers has its own dynamics. To study the behavior of entanglement in one region, being inaccessible, the modes in other region becomes irrelevant and thus need to be trace out. The Minkowski annihilation operator of an arbitrary frequency, observed by Alice, is related to the two Rindler regions’ operators of frequency, observed by Charlie, more directly through an intermediate set of modes called Unruh modes Bruchi . The Unruh modes analytically extend the Rindler region$I$ modes to region $II$ and the region$II$ modes to region $I$. Since the Unruh modes exist over all Minkowski space, they share the same vacuum as the Minkowski annihilation operators. An arbitrary Unruh mode for a give acceleration is given by $C_{\omega}=q_{L}C_{\omega,L}+q_{R}C_{\omega,R},$ (3) where $q_{L}$ and $q_{R}$ are complex numbers satisfying the relation $\left|q_{L}\right|^{2}+\left|q_{R}\right|^{2}=1$ and the appropriate relations for the left and right regions’ operators are given by Bruchi $\displaystyle C_{\omega,R}$ $\displaystyle=\cosh r_{\omega}a_{\omega,I}-\sinh r_{\omega}a_{\omega,II}^{{\dagger}},$ $\displaystyle C_{\omega,L}$ $\displaystyle=\cosh r_{\omega}a_{\omega,II}-\sinh r_{\omega}a_{\omega,I}^{{\dagger}},$ (4) where $a$, $a^{{\dagger}}$ are Rindler particle operators of scalar field in the two regions. For Grassman case, the transformation relations are given by $\displaystyle C_{\omega,R}$ $\displaystyle=\cos r_{\omega}c_{\omega,I}-\sinh r_{\omega}d_{\omega,II}^{{\dagger}},$ $\displaystyle C_{\omega,L}$ $\displaystyle=\cos r_{\omega}c_{\omega,II}-\sinh r_{\omega}d_{\omega,I}^{{\dagger}},$ (5) where $c$, $c^{{\dagger}}$ and $d$, $d^{{\dagger}}$ are respectively Rindler particle and antiparticle operators. The dimensionless parameter $r_{\omega}$ appears in these equations is discussed below. For the purpose of this paper, in order to recover single mode approximation we will set $q_{R}=1$ and $q_{L}=0$. From the viewpoint of accelerated observer, the Minkowski vacuum and excited states of the Dirac field are found to be, respectively, given by Alsing3 . $\left|0\right\rangle_{M}=\cos r\left|0\right\rangle_{I}\left|0\right\rangle_{II}+\sin r\left|1\right\rangle_{I}\left|1\right\rangle_{II},$ (6) $\left|1\right\rangle_{M}=\left|1\right\rangle_{I}\left|0\right\rangle_{II}.$ (7) Similarly, for scalar field the Minkowski vacuum and excited states are given by $\left|0\right\rangle_{M}=\frac{1}{\cosh r}{\displaystyle\sum\limits_{n=0}^{\infty}}\tanh^{n}r\left|n\right\rangle_{I}\left|n\right\rangle_{II},$ (8) $\left|1\right\rangle_{M}=\frac{1}{\cosh^{2}r}{\displaystyle\sum\limits_{n=0}^{\infty}}\sqrt{n+1}\tanh^{n}r\left|n+1\right\rangle_{I}\left|n\right\rangle_{II}.$ (9) In the above equations, $\left|\cdot\right\rangle_{I}$ and $\left|\cdot\right\rangle_{II}$ are Rindler modes in the two causally disconnected Rindler regions, $\left|n\right\rangle$ represents number states and $r$ is a dimensionless parameter that depends on acceleration of the moving observer and modes frequency. For Dirac field, it is given by $\cos r=(1+e^{-2\pi\omega c/a})^{-1/2}$ such that $0\leq r\leq\pi/4$ for $0\leq a\leq\infty$ and for scalar field, it is defined as $\cosh r=(1-e^{-2\pi\omega c/a})^{-1/2}$ such that $0\leq r\leq\infty$ for $0\leq a\leq\infty$. It is important to note that almost all the previous studies have been focused on investigating the influence of parameter $r$, as a function of acceleration of the moving frame by fixing the Rindler frequency, on the degree of entanglement present in the initial state. Such analysis lead to the measurement of entanglement in a family of states, all of which share the same Rindler frequency as seen by an observer with different acceleration. However, the effect of parameter $r$ on entanglement can also, alternatively, be interpreted by considering a family of states with different Rindler frequencies watched by the same observer traveling with fixed acceleration Bruschi2 . ## II Quantification of Tripartite entanglement In literature, a number of different criterion for quantifying tripartite entanglement exist. However, the most popular among them are the residual three tangle Coffman and $\pi$-tangle Fan ; Vidal . Other measurements for tripartite entanglement include realignment criterion Rudolph ; Kia and linear contraction Horodocki . The realignment and linear contraction criterion are comparatively easy in calculation and are strong criteria for entanglement measurement. However, these criterion has some limitations and do not detect the entanglement of all states. The three tangle is another good quantifier for the entanglement of tripartite states. This is polynomial invariant Verstraete ; Leifer and it needs an optimal decomposition of a mixed density matrix. In general, the optimal decomposition is a tough enough task except in a few rare cases Lohmayer . On the other hand, the $\pi$-tangle for a tripartite state $|\psi\rangle_{ABC}$ is given by $\pi_{ABC}=\frac{1}{3}(\pi_{A}+\pi_{B}+\pi_{C}),$ (10) where $\pi_{A}$ is called residual entanglement and is given by $\pi_{A}=\mathcal{N}_{A(BC)}^{2}-\mathcal{N}_{AB}^{2}-\mathcal{N}_{AC}^{2}.$ (11) The other two residual tangles ($\pi_{B},\pi_{C}$) are defined in a similar way. In Eq. (11), $\mathcal{N}_{AB}(\mathcal{N}_{AC})$ is a two-tangle and is given as the negativity of mixed density matrix $\rho_{AB}=Tr_{C}|\psi\rangle_{ABC}\langle\psi|$ $(\rho_{AC}=Tr_{B}|\psi\rangle_{ABC}\langle\psi|)$. The $\mathcal{N}_{A(BC)}$ is a one-tangle and is defined as $\mathcal{N}_{A(BC)}=\left\|\rho_{ABC}^{T_{A}}\right\|-1$, where $\left\|O\right\|=\mathrm{tr}\sqrt{OO^{{\dagger}}}$ stands for the trace norm of an operator $O$ and $\rho_{ABC}^{T_{A}}$ is the partial transposition of the density matrix over qubit $A$. The one-tangle and the two-tangles satisfy the following Coffman-Kundu-Wootters (CKW) monogamously inequality relation Coffman . $\mathcal{N}_{A(BC)}^{2}\geq\mathcal{N}_{AB}^{2}+\mathcal{N}_{AC}^{2}.$ (12) In this paper we use the $\pi$-tangle to observe the behavior of entanglement of the state given in Eq. (1), as a function of acceleration of the observer and the entanglement parameter $\alpha$. ## III Nonmaximal tripartite entanglement ### III.1 Fermionic Entanglement To study the influence of acceleration parameter $r$ and the entanglement parameter $\alpha$ on the entanglement between modes of Dirac field, we substitute Eqs.(6) and (7) for Charlie part in Eq.(1) and rewrite it in terms of Minkowski modes for Alice and Bob and Rindler modes for Charlie as follow $\left|\psi_{ABCI,II}\right\rangle=\alpha(\cos r\text{ }\left|0000\right\rangle+\sin r\text{ }\left|0011\right\rangle)+\sqrt{1-\alpha^{2}}\left|1110\right\rangle,$ (13) where $\left|abcd\right\rangle=\left|a\right\rangle_{A}\left|b\right\rangle_{B}\left|c\right\rangle_{CI}\left|d\right\rangle_{CII}$. Note that for the purpose of writing ease, we have also dropped the frequency in the subscript of each ket. Being inaccessible to Charlie in Rindler region I, the modes in Rindler region II must be trace out for investigating the behavior of entanglement between the modes of inertial observers and the modes of Charlie in region I. So, tracing out over the forth qubit, leaves the following mixed density matrix between the modes of Alice, Bob and Charlie, $\displaystyle\rho_{ABC}$ $\displaystyle=\alpha^{2}\cos^{2}r\left|000\right\rangle\left\langle 000\right|+\alpha\sqrt{1-\alpha^{2}}\cos r(\left|000\right\rangle\left\langle 111\right|+\left|111\right\rangle\left\langle 000\right|)$ $\displaystyle+\alpha^{2}\sin^{2}r\left|001\right\rangle\left\langle 001\right|+(1-\alpha^{2})\left|111\right\rangle\left\langle 111\right|.$ (14) Taking partial transpose over each qubit in sequence and using the definition of one-tangle, the three one-tangles can straightforwardly be calculated, which are given by $\mathcal{N}_{A(BC)}=\mathcal{N}_{B(AC)}=2\alpha\sqrt{1-\alpha^{2}}\cos r.$ (15) $\mathcal{N}_{C(AB)}=\alpha\sqrt{1-\alpha^{2}}\cos r-\alpha^{2}\sin^{2}r+\alpha\sqrt{(1-\alpha^{2})\cos^{2}r+\alpha^{2}\sin^{4}r}.$ (16) Note that $\mathcal{N}_{A(BC)}=\mathcal{N}_{B(AC)}$ shows that the two subsystems of inertial frames are symmetrical for any values of the parameters $\alpha$ and $r$. It can easily be checked that all the one-tangles reduce to $1$ for a maximally entangled initial state with no acceleration, which is a verification of the result obtained in the rest frames both for Dirac and Scalar fields Hwang ; Wang . To have a better understanding of the influence of the two parameters, we plot the one-tangles for different values of $\alpha$ against $r$ in Fig. $1$(a, b). Figure 1: (Color Online) The one-tangles (a) $\mathcal{N}_{A(BC)}$ and (b) $\mathcal{N}_{C(AB)}$ of fermionic modes as a function of the acceleration parameter $r$ for different values of the entanglement parameter $\alpha$ and its normalized partners $\sqrt{1-\alpha^{2}}$. The black solid line corresponds to maximally entangled initial state. The blue solid lines from top to bottom correspond to $\left|\alpha\right|=\frac{1}{\sqrt{5}}$, $\frac{1}{\sqrt{10}}$, $\frac{1}{\sqrt{22}}$ and red dashed lines from top to bottom correspond to $\left|\alpha\right|=\frac{2}{\sqrt{5}}$, $\frac{3}{\sqrt{10}}$, $\sqrt{\frac{21}{22}}$. Figure (1a) shows the behavior of $\mathcal{N}_{A(BC)}=\mathcal{N}_{B(AC)}$ and figure (1b) is the plot of $\mathcal{N}_{C(AB)}$. A comparison of the two figures shows that for maximal entangled initial state ($\alpha=1/\sqrt{2}$) and hence for all other values of $\alpha$, the $\mathcal{N}_{C(AB)}$ falls off rapidly with increasing acceleration as compared to $\mathcal{N}_{A(BC)}$. However, the most interesting feature of the two figures is the different response of the one-tangles to the parameter $\alpha$. The behavior of $\mathcal{N}_{A(BC)}$ ($\mathcal{N}_{B(AC)}$) is unchanged by interchanging the values of $\alpha$ and its normalizing partner $\sqrt{1-\alpha^{2}}$. On the other hand, $\mathcal{N}_{C(AB)}$ degrades along different trajectories by switching the values of $\alpha$ and $\sqrt{1-\alpha^{2}}$. This shows an inequivalence of the quantization for Dirac field in the Minkowski and Rindler coordinates. Regardless of the amount of acceleration, there is always some amount of one-tangle left for each subsystem, which ensures the application of entanglement based quantum information tasks between relatively accelerated parties. The values chosen for entanglement parameter $\alpha$ and its normalizing partner $\sqrt{1-\alpha^{2}}$ in figure (1) are $\frac{1}{\sqrt{2}},\frac{1}{\sqrt{5}},\frac{2}{\sqrt{5}},\frac{1}{\sqrt{10}},\frac{3}{\sqrt{10}},\frac{1}{\sqrt{22}},\sqrt{\frac{21}{22}}$. The next step is to evaluate the two-tangles. According to its definition, we need to take partial trace over each qubit one by one. So, taking partial trace of the final density matrix of Eq. (14) over Alice’s qubit or Bob’s qubit leads to the following mixed density matrix $\rho_{AC(BC)}=\rho_{ABC}^{T_{B(A)}}=\alpha^{2}\cos^{2}r\left|00\right\rangle\left\langle 00\right|+\alpha^{2}\sin^{2}r\left|01\right\rangle\left\langle 01\right|+(1-\alpha^{2})\left|11\right\rangle\left\langle 11\right|.$ (17) Note that this matrix is diagonal and the partial transpose over either qubit leaves it unchanged. Similarly, the reduced density matrix $\rho_{AB}$, which is obtained by taking partial trace over the Charlie qubit, is diagonal. Using the definition of negativity, one can easily show that there exists no entanglement between any of these subsystems of the tripartite state $\rho_{ABC}$. Since this result is valid for a maximally entangled GHZ state in inertial frame, it shows that the entanglement behavior of subsystems is independent from the status of the observer and from the degree of initial entanglement in the state. Also, the zero value of all the two-tangles verify the validity of the CKW inequality. Since we now know all the one-tangles and all the two-tangles of the tripartite state $\rho_{ABC}$, we can find the $\pi$-tangle. As all the two- tangles are zero, using Eq. (10), it simply becomes $\displaystyle\pi_{ABC}$ $\displaystyle=\frac{1}{3}(\mathcal{N}_{A(BC)}^{2}+\mathcal{N}_{B(AC)}^{2}+\mathcal{N}_{C(AB)}^{2})$ $\displaystyle=\frac{\alpha^{2}}{3}[\left(\sqrt{(1-\alpha^{2})}\cos^{2}r-\alpha\sin^{2}r+\sqrt{(1-\alpha^{2})\cos^{2}r+\alpha^{2}\sin^{4}r}\right)^{2}$ $\displaystyle+8(1-\alpha^{2})\cos^{2}r].$ (18) Figure 2: (Color Online) The $\pi$-tangle of fermionic modes as a function of acceleration parameter $r$ for different values of entanglement parameter $\alpha$ and its normalized partner $\sqrt{1-\alpha^{2}}$. The black solid line corresponds to maximally entangled initial state. The blue solid lines from top to bottom correspond to $\left|\alpha\right|=\frac{1}{\sqrt{5}}$, $\frac{1}{\sqrt{10}}$, $\frac{1}{\sqrt{22}}$ and the red dashed lines from top to bottom correspond to $\left|\alpha\right|=\frac{2}{\sqrt{5}}$, $\frac{3}{\sqrt{10}}$, $\sqrt{\frac{21}{22}}$. It is straightforward to verify that for inertial frame and maximally entangled initial state the result of Eq. (18) is $1$. To have a more close look on how it is effected by the parameters $\alpha$ and $r$, we plot it against the parameter $r$ for different values of the entanglement parameter $\alpha$ in Fig. $2$. Like the one-tangles, the $\pi$-tangle exhibit a similar behavior in response to $\alpha$. Here the solid black line represents the behavior of $\pi$-tangle against $r$ when the initial state is maximally entangled. It can be seen that for the same entanglement in the initial state, interchanging the values of $\alpha$ and its normalizing partner $\sqrt{1-\alpha^{2}}$ leads to two different degradation curves for $\pi$-tangle against the acceleration parameter $r$. This degradation behavior of $\pi$-tangle along two different curves is similar to the degradation of logarithmic negativity for bipartite fermionic entangled states Pan . It is interesting to note that the loss of entanglement against the acceleration parameter is rapid for states of stronger initial entanglement. Nevertheless, the rate of degradation of $\pi$-tangle is slower than the logarithmic negativity for bipartite fermionic states. ### III.2 Bosonic Entanglement To study the behavior of entanglement of nonmaximal initial state of scalar field, we follow the same procedure as we used to investigate the dynamics of entanglement of Dirac Field. For Charlie in noninertial frame, the nonmaximal entangled initial state of Eq. (1) can be rewritten in terms of Minkowski modes for Alice and Bob and Rindler modes of Fock space for Charlie by using Eqs. (8) and (9) as follow $\left|\varphi_{ABCI,II}\right\rangle=\frac{1}{\cosh r}{\displaystyle\sum\limits_{n=0}^{\infty}}\tanh^{n}r\left[\alpha\left|00nn\right\rangle+\frac{\sqrt{(n+1)(1-\alpha^{2})}}{\cosh r}\left|11n+1n\right\rangle\right],$ (19) where, again, the kets $\left|abcd\right\rangle=\left|a\right\rangle_{A}\left|b\right\rangle_{B}\left|c\right\rangle_{CI}\left|d\right\rangle_{CII}$. In response to acceleration, for the behavior of entanglement between the modes of inertial observers and the modes of Charlie in region I, the inaccessible modes in region II must be trace out. Tracing out over those modes, leaves the following mixed density matrix $\displaystyle\varrho_{ABC}$ $\displaystyle=\alpha^{2}\left|00\right\rangle\left\langle 00\right|\otimes M_{n,n}+(1-\alpha^{2})\left|11\right\rangle\left\langle 11\right|\otimes M_{n+1,n+1}+$ $\displaystyle\alpha\sqrt{(1-\alpha^{2})}(\left|11\right\rangle\left\langle 00\right|\otimes M_{n+1,n}+\left|00\right\rangle\left\langle 11\right|\otimes M_{n,n+1}),$ (20) where $\displaystyle M_{n,n}$ $\displaystyle=\frac{1}{\cosh^{2}r}{\displaystyle\sum\limits_{n=0}^{\infty}}\tanh^{2n}r\left|n\right\rangle\left\langle n\right|,$ $\displaystyle M_{n,n+1}$ $\displaystyle=\frac{1}{\cosh^{3}r}{\displaystyle\sum\limits_{n=0}^{\infty}}\sqrt{(n+1)}\tanh^{2n}r\left|n\right\rangle\left\langle n+1\right|,$ $\displaystyle M_{n+1,n}$ $\displaystyle=\frac{1}{\cosh^{3}r}{\displaystyle\sum\limits_{n=0}^{\infty}}\sqrt{(n+1)}\tanh^{2n}r\left|n+1\right\rangle\left\langle n\right|,$ $\displaystyle M_{n+1,n+1}$ $\displaystyle=\frac{1}{\cosh^{4}r}{\displaystyle\sum\limits_{n=0}^{\infty}}(n+1)\tanh^{2n}r\left|n+1\right\rangle\left\langle n+1\right|.$ (21) The three one-tangles can be computed, as before, by taking partial transpose of the density matrix of Eq. (20) with respect to each qubit one by one. It is easy to prove that the two one-tangles which are obtained from partial transposed of the qubits of inertial observers are equal and is given by $\mathcal{N}_{A(BC)}=\mathcal{N}_{B(AC)}=\frac{2\alpha\sqrt{1-\alpha^{2}}}{\cosh^{3}r}\sum_{n=0}^{\infty}\sqrt{(n+1)}\tanh^{2n}r.$ (22) We can write this relation into another more compact form as follow $\mathcal{N}_{A(BC)}=\frac{2\alpha\sqrt{1-\alpha^{2}}}{\cosh r\sinh^{2}r}\mathbf{Li}_{-\frac{1}{2}}(\tanh^{2}r),$ (23) where we have used the following identities $\displaystyle\sum_{n=0}^{\infty}(n+1)\tanh^{2n}r$ $\displaystyle=\cosh^{4}r$ $\displaystyle\sum_{n=0}^{\infty}\tanh^{2n}r$ $\displaystyle=\cosh^{2}r.$ (24) The function $\mathbf{Li}_{n}(x)$ in Eq. (23) is a polylogarithm function and is given by $\mathbf{Li}_{n}(x)\equiv\sum_{k=1}^{\infty}\frac{x^{k}}{k^{n}}=\frac{x}{1^{n}}+\frac{x^{2}}{2^{n}}+\frac{x^{3}}{3^{n}}+...$ (25) To compute the one tangle $\mathcal{N}_{C(AB)}$, first we find $\varrho_{ABC}^{T_{C}}$ from Eq.(20) and then we construct $(\varrho_{ABC}^{T_{C}})(\varrho_{ABC}^{T_{C}})^{{\dagger}}$, whose explicit expression is given by $\displaystyle(\varrho_{ABC}^{T_{C}})(\varrho_{ABC}^{T_{C}})^{{\dagger}}$ $\displaystyle=\sum_{n=0}^{\infty}\frac{\tanh^{4n}r}{\cosh^{4}r}[(\alpha^{4}+\frac{n\alpha^{2}(1-\alpha^{2})\cosh^{2}r}{\sinh^{4}r})\left|00n\right\rangle\left\langle 00n\right|+\frac{\alpha((n+1)(1-\alpha^{2})x)^{\frac{1}{2}}}{\cosh r}$ $\displaystyle(\alpha^{2}\tanh^{2}r+\frac{n(1-\alpha^{2})}{\sinh^{2}r})\\{\left|00n+1\right\rangle\left\langle 11n\right|+\left|11n\right\rangle\left\langle 00n+1\right|\\}$ $\displaystyle+(\frac{\alpha^{2}(1-\alpha^{2})(n+1)}{\cosh^{2}r}+\frac{n^{2}(1-\alpha^{2})^{2}}{\sinh^{4}r})\left|11n\right\rangle\left\langle 11n\right|].$ (26) The nonvanishing eigenvalues Eq. (26) are $\left(\frac{\alpha^{4}}{\cosh^{4}r},\Lambda_{n}^{\pm},\text{ \ \ }(n=0,1,2,3,...)\right),$ (27) where $\Lambda_{n}^{\pm}=\frac{1}{2}(\xi\pm\sqrt{\eta+\mu}),$ (28) and $\displaystyle\xi$ $\displaystyle=\frac{\tanh^{4n}r}{\cosh^{4}r}\left(\frac{n^{2}(1-\alpha^{2})^{2}}{\sinh^{4}r}+\frac{2\alpha^{2}(1-\alpha^{2})(n+1)}{\cosh^{2}r}+\alpha^{4}\tanh^{4}r\right),$ $\displaystyle\mu$ $\displaystyle=\frac{4\alpha^{2}(1-\alpha^{2})(n+1)}{\cosh^{2}r}\frac{\tanh^{8n}r}{\cosh^{8}r}\left(\frac{n(1-\alpha^{2})}{\sinh^{2}r}+\alpha^{2}\tanh^{2}r\right)^{2},$ $\displaystyle\eta$ $\displaystyle=\frac{\tanh^{8n}r}{\cosh^{8}r}\left(\frac{n^{2}(1-\alpha^{2})^{2}}{\sinh^{4}r}-\alpha^{4}\tanh^{4}r\right)^{2}.$ (29) Using the definition of one-tangle, one can obtain $\mathcal{N}_{C(AB)}$ whose explicit expression is by $\mathcal{N}_{C(AB)}=-1+\frac{\alpha^{2}}{\cosh^{2}r}+\sum_{n=0}^{\infty}\frac{\tanh^{2n}r}{\cosh^{2}r}\sqrt{\frac{n^{2}(1-\alpha^{2})^{2}}{\sinh^{4}r}+\frac{2\alpha^{2}(1-\alpha^{2})(n+2)}{\cosh^{2}r}+\alpha^{4}\tanh^{4}r}$ (30) It is easy to check that the one-tangles results into $1$ for $r=0$ and maximally entangled initial state. Figure 3: (Color Online)The one-tangle (a) $\mathcal{N}_{A(BC)}$ and (b) $\mathcal{N}_{C(AB)}$ of bosonic field as a function of the acceleration parameter $r$ for different values of entanglement parameter $\alpha$ and its normalized partners $\sqrt{1-\alpha^{2}}$. The black solid line corresponds to maximally entangled initial state. The blue solid lines from top to bottom correspond to $\left|\alpha\right|=\frac{1}{\sqrt{5}}$, $\frac{1}{\sqrt{10}}$, $\frac{1}{\sqrt{22}}$ and the red dashed lines from top to bottom correspond to $\left|\alpha\right|=\frac{2}{\sqrt{5}}$, $\frac{3}{\sqrt{10}}$, $\sqrt{\frac{21}{22}}$. The dependence of one-tangles on $r$ and $\alpha$, in this case, is shown in figure ($3$). As can be seen, the one-tangles are strongly effected by the parameters $\alpha$ and $r$. However, as before, switching between the values of $\alpha$ and its normalizing partner $\sqrt{1-\alpha^{2}}$ does not effect the behavior of one-tangle, corresponds to an inertial observer, against $r$ as shown in figure ($3a$). Unlike the fermionic case, the loss in one-tangle $\mathcal{N}_{A(BC)}$ with acceleration is not uniform through the whole range of $r$. In fermionic case, it is monotonic strictly decreasing whereas in bosonic case, it is only monotonic decreasing, however, it never vanishes completely. On the other hand, figure ($3b$) shows that, like the fermionic case, the one-tangle $\mathcal{N}_{C(AB)}$ degrades along different curves against $r$ by interchanging the values of $\alpha$ and $\sqrt{1-\alpha^{2}}$, however, it vanishes , regardless of the value of $\alpha$, in the asymptotic limit. The loss in $\mathcal{N}_{C(AB)}$ against $r$ depends on the degree of entanglement in the initial state, it is faster when the entanglement is stronger initially. Similar to the case of Dirac field, we have verified that all the two tangles for scalar field are also zero, that is, $\mathcal{N}_{AB}=\mathcal{N}_{AC}=\mathcal{N}_{BC}=0.$ (31) This verifies that CKW inequality also holds for scalar field. Again, the zero values of all the two tangles make it easier to find the $\pi$-tangle. Instead of writing its explicit relation, which is lengthy enough, we want to show its behavior by plotting it against $r$ for different values of $\alpha$ in figure ($4$). Figure 4: (Color Online) The $\pi$-tangle of bosonic field as a function of acceleration parameter $r$ for different values of entanglement parameter $\alpha$ and its normalized partners $\sqrt{1-\alpha^{2}}$. The black solid line corresponds to maximally entangled initial state. The blue solid lines from top to bottom correspond to $\left|\alpha\right|=\frac{1}{\sqrt{5}}$, $\frac{1}{\sqrt{10}}$, $\frac{1}{\sqrt{22}}$ and the red dashed lines from top to bottom correspond to $\left|\alpha\right|=\frac{2}{\sqrt{5}}$, $\frac{3}{\sqrt{10}}$, $\sqrt{\frac{21}{22}}$. The figure shows that in the range of larger acceleration, the loss of $\pi$-tangle depends only on the initial value of the degree of entanglement. This shows that the response of $\pi$-tangle to $r$ is different from logarithmic negativity for bipartite state because the latter does depend on the choice of values of $\alpha$ and $\sqrt{1-\alpha^{2}}$. However, for smaller values of acceleration, it does degrades, like the logarithmic negativity for bipartite states, along two different trajectories by interchanging the values of $\alpha$ and $\sqrt{1-\alpha^{2}}$. For every value of initial entanglement, it has a nonvanishing value at infinite acceleration. The notable feature of figure ($4$) is that, unlike bipartite entanglement, the tripartite entanglement for scalar field degrades slowly with acceleration than for Dirac field and it always remains finite in the limit of larger values of $r$. ## IV Summary In this paper, we have investigated the entanglement behavior of nonmaximal tripartite quantum states in both fermionic and bosonic systems when one of the parties is traveling with a uniform acceleration. Rindler coordinates are used for the accelerating party. The behavior of entanglement against the acceleration parameter and the initial entanglement parameter is quantified using $\pi$-tangle. It is shown that the entanglement in tripartite GHZ states does not only depend on the acceleration and initial entanglement in the states but also depends, for the same initial entanglement, on the probability amplitudes of the bases vectors. The one-tangles corresponding to accelerated observer, in both bosonic and fermionic cases, strongly depends on the entanglement parameter $\alpha$. However, in the fermionic case, it never vanishes for any values of $\alpha$ even in the limit of infinite acceleration. Whereas in bosonic case, regardless of the value of $\alpha$, it vanishes in the range of infinite acceleration. The two-tangles, in both cases, are always zero, which means that the acceleration and the degree of initial entanglement do not affect the entanglement behavior of any of the sub-bipartite systems. The response of $\pi$-tangle to $r$ and $\alpha$ in the two cases is considerably different. In fermionic case, for the same initial entanglement, it strongly depends on the values of $\alpha$ and $\sqrt{1-\alpha^{2}}$. The difference in degradation against $r$, by interchanging the values of probability amplitudes, increases with increasing acceleration. However, some fraction of $\pi$-tangle always survives for all values of $\alpha$ even in the limit of infinite acceleration. For bosonic case, in the range of large values of $r$, the $\pi$-tangle just depends on the of initial entanglement,. However, for small values of $r$, its degradation is different by interchanging the values of probability amplitudes. Amazingly unlike bipartite entanglement, the $\pi$-tangle in fermionic case degrades quickly against the acceleration as compared to bosonic case. The survival of tripartite entanglement may be used to perform different quantum information task in situations where execution of such task through bipartite entanglement fails, for example, between inside and outside of the black hole. ## References * (1) D. Bouwmeester, A. Ekert, and A. Zeilinger, “The Physics of Quantum Information” (Springer-Verlag, Berlin, 2000); A. Peres and D. R. Terno, Rev. Mod. Phys.76, 93 (2004); C. H. Bennett, et al, Phys. Rev. Lett. 70, 1895 (1993); S. F. 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arxiv-papers
2014-02-28T07:16:56
2024-09-04T02:49:59.083929
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Salman Khan, Niaz Ali Khan, M.K. Khan", "submitter": "Salman Khan", "url": "https://arxiv.org/abs/1402.7152" }
1402.7165
# The “magic” angle in the self-assembly of colloids suspended in a nematic host phase Sergej Schlotthauer Stranski-Laboratorium für Physikalische und Theoretische Chemie, Fakultät für Mathematik und Naturwissenschaften, Technische Universität Berlin, Straße des 17. Juni 115, 10623 Berlin, GERMANY Tillmann Stieger Stranski-Laboratorium für Physikalische und Theoretische Chemie, Fakultät für Mathematik und Naturwissenschaften, Technische Universität Berlin, Straße des 17. Juni 115, 10623 Berlin, GERMANY Michael Melle Stranski-Laboratorium für Physikalische und Theoretische Chemie, Fakultät für Mathematik und Naturwissenschaften, Technische Universität Berlin, Straße des 17. Juni 115, 10623 Berlin, GERMANY Marco G. Mazza Max-Planck-Institut für Dynamik und Selbstorganisation, Am Faßberg 17, 37077 Göttingen, GERMANY Martin Schoen Stranski-Laboratorium für Physikalische und Theoretische Chemie, Fakultät für Mathematik und Naturwissenschaften, Technische Universität Berlin, Straße des 17. Juni 115, 10623 Berlin, GERMANY Department of Chemical and Biomolecular Engineering, 911 Partners Way, North Carolina State University, Raleigh, NC 27695, U.S.A. ###### Abstract Using extensive Monte Carlo (MC) simulations of colloids immersed in a nematic liquid crystal we compute an effective interaction potential via the local nematic director field and its associated order parameter. The effective potential consists of a local Landau-de Gennes (LdG) and a Frank elastic contribution. Molecular expressions for the LdG expansion coefficients are obtained via classical density functional theory (DFT). The DFT result for the LdG parameter $A$ is improved by locating the phase transition through finite- size scaling theory. We consider effective interactions between a pair of homogeneous colloids with Boojum defect topology. In particular, colloids attract each other if the angle between their center-of-mass distance vector and the far-field nematic director is about $30^{\circ}$ which settles a long- standing discrepancy between theory and experiment. Using the effective potential in two-dimensional MC simulations we show that self-assembled structures formed by the colloids are in excellent agreement with experimental data. ###### pacs: 61.30.-v,61.30.Jf,82.70Dd,05.10.Ln If a liquid crystal is in the nematic phase the overall orientation of its molecules (i.e., mesogens) can be described quantitatively by the non-local unit vector (i.e., the far-field nematic director) $\bm{\widehat{n}}_{0}$ [1]. Immersing a colloidal particle in this nematic host phase gives rise to a director field $\bm{\widehat{n}}\left(\bm{r}\right)$ such that sufficiently close to the colloid’s surface, $\bm{\widehat{n}}\left(\bm{r}\right)$ and $\bm{\widehat{n}}_{0}$ may differ. The deviation between $\bm{\widehat{n}}\left(\bm{r}\right)$ and $\bm{\widehat{n}}_{0}$ is caused by the specific anchoring of mesogens at the surface of the colloid. Depending on details of the host phase $\bm{\widehat{n}}\left(\bm{r}\right)$ can be of such dazzling complexity that experts are just beginning to unravel its structural details [2]. The mismatch between $\bm{\widehat{n}}\left(\bm{r}\right)$ and $\bm{\widehat{n}}_{0}$ also gives rise to effective interactions between several colloids that are mediated by the nematic host [3]. These interactions may therefore be used to self-assemble the colloids into supramolecular entities in a controlled (i.e., directed) manner. This way ordered assemblies of colloids of an enormously complex structure with rich symmetries may be built that would not exist without the ordered structure of the host phase [4, 5]. The complex self-assembled structures formed by the colloids are also of practical importance. For instance, taking as a specific example dielectric colloids it could be demonstrated that the propagation of light through a self-assembled ordered colloidal arrangement is affected in a way similar to the propagation of electrons in a semiconductor crystal [6]. Hence, ordered periodic assemblies of colloids are already discussed within the framework of novel photonic devices with fascinating properties [7]. Clearly, to use the effective interaction potential for the self-assembly of colloids in a nematic host phase the molecular origin of the potential itself must be understood. Our motivation to contribute to such an improved understanding goes back to an observation made some time ago by Poulin and Weitz [8]. They found experimentally that in a nematic phase the colloidal center-to-center distance vector $\bm{r}_{12}$ forms a “magic” angle of $\theta\approx 30^{\circ}$ with $\bm{\widehat{n}}_{0}$ if the mesogens at the surfaces of the colloidal pair are anchored in a locally planar fashion. Hence, near an isolated colloid a so-called Boojum defect would arise under these conditions [9]. This experimental observation has resisted a quantitative theoretical explanation to date. In previous theoretical attempts a much larger angle of about $50^{\circ}$ is usually found [8, 10]. This number is based upon calculations where one employs the electrostatic analog of the Boojum defect topology [8]. In fact, as stated explicitly by Poulin and Weitz “This theoretical value is different from the experimentally observed value for $\theta$ $\ldots$ since the theory is a long-range description that does not account for short-range effects” [8]. Another motivation for our work is the more recent experimental observation that between a pair of colloids in a nematic host repulsive and attractive forces act depending on $\theta$ [10]. For example, at $\theta\approx 30^{\circ}$ the colloids attract each other whereas at $\theta=0^{\circ}$ and $90^{\circ}$ repulsion between the colloids is observed. To unravel the persisting discrepancy between theory and experiment we employ a combination of Monte Carlo (MC) simulations in the isothermal-isobaric ensemble, two-dimensional (2D) MC simulations in the canonical ensemble, classical density functional theory (DFT), concepts of finite-size scaling (FSS), and Landau-de Gennes (LdG) theory to investigate the effective interaction between a pair of spherical, chemically homogeneous colloids mediated by a nematic host phase. To model the host phase we adopt the so-called Hess-Su model. In this model mesogen-mesogen interactions are described by an isotropic core where $\varepsilon$ and $\sigma$ set energy and length scale, respectively. Superimposed to the isotropic core are anisotropic attractions of respective strengths $\varepsilon_{1}\varepsilon$ and $\varepsilon_{2}\varepsilon$ where the dimensionless anisotropy parameters $2\varepsilon_{1}=-\varepsilon_{2}=0.08$ throughout this work. Under these conditions the Hess-Su model exhibits isotropic-nematic (IN) phase transitions [11]. The colloid-mesogen interaction is modeled via short-range repulsive interactions and an attractive Yukawa tail where we take its inverse Debye screening length $\lambda\sigma=0.50$ [12]. Mesogens at the colloids’ surfaces are anchored in a locally planar fashion. This setup is then placed between structureless, planar solid substrates separated by a distance $s_{\mathrm{z}}=24\sigma$. Mesogens at the substrates are anchored such that their longer axes point along the $x$-axis $\bm{\widehat{e}}_{\mathrm{x}}$. Under these conditions a Boojum defect topology emerges at a single, isolated colloid. Colloids are immersed in the host phase such that their center-to- center distance vector is given by $\bm{r}_{12}=\left(x_{12},y_{12},0\right)$. We employ dimensionless units, that is length is given in units of $\sigma$, energy in units of $\varepsilon$, and temperature in units of $\varepsilon/k_{\mathrm{B}}$ ($k_{\mathrm{B}}$ Boltzmann’s constant). Other derived units are then expressed as combinations of these basic ones as usual [12]. In particular, we set temperature $T=0.90$ and pressure $P=1.80$ such that the host phase is nematic at a mean number density $\rho\approx 0.90$. The hard-core radius of each colloid is $r_{0}=3.00$. Other conditions of the MC simulations are exactly the same as in Ref. 12 where additonal details of the model can also be found. Figure 1: (Color online) (a)–(c) Defect topologies for a colloidal pair with locally planar surface anchoring of mesogens separated by $\bm{r}_{12}$; $\cos\theta=\bm{r}_{12}\cdot\bm{\widehat{n}}_{0}/r_{12}$, $\bm{\widehat{n}}_{0}\cdot\bm{\widehat{e}}_{x}=1$, and $r_{12}=\left|\bm{r}_{12}\right|$. (d)–(f) As (a)–(c) but projected onto the $x$–$y$ plane. Attached color bars give $S\left(x,y\right)$ and dashes indicate $\bm{\widehat{n}}\left(\bm{r}\right)$. Results of our MC simulations shown in Fig. 1(a) indicate that parts of the Boojum defects interact forming a torus. As $\theta$ increases, the torus is “ripped apart” [Fig. 1(b)]. Eventually, a handle-like defect topology emerges at $\theta\simeq 90^{\circ}$ [Fig. 1(c)]. Defect regions around the colloids are visualized by shading them if the local nematic order parameter $S\left(\bm{r}\right)\leq 0.20$. We obtain $S\left(\bm{r}\right)$ numerically as the largest eigenvalue of the local alignment tensor [12]. The eigenvector $\bm{\widehat{n}}\left(\bm{r}\right)$ associated with $S\left(\bm{r}\right)$ is the director field. The latter is illustrated in Figs. 1(d)–1(f). The plots indicate relatively localized regions of low $S\left(\bm{r}\right)$ in the vicinity of the colloids and that $\bm{\widehat{n}}\left(\bm{r}\right)$ is bent in ways that depend on the specific defect topology (i.e., on $\theta$). Naturally, the reduction of $S\left(\bm{r}\right)$ and the bending of $\bm{\widehat{n}}\left(\bm{r}\right)$ causes the free-energy density $f\left(\bm{r}\right)$ of the system to increase locally relative to that of the pure host phase without the colloids. Consequently, we adopt $\displaystyle\Delta f\left(\bm{r}\right)\\!$ $\displaystyle=$ $\displaystyle\\!A\left(T,\rho\right)S^{2}\left(\bm{r}\right)\\!+\\!B\left(T,\rho\right)S^{3}\left(\bm{r}\right)\\!+\\!C\left(T,\rho\right)S^{4}\left(\bm{r}\right)$ (1) $\displaystyle+\frac{K}{2}\left\\{\left[\bm{\nabla}\cdot\bm{\widehat{n}}\left(\bm{r}\right)\right]^{2}+\left[\bm{\nabla}\times\bm{\widehat{n}}\left(\bm{r}\right)\right]^{2}\right\\}-f_{0}$ where the first three terms on the right side correspond to a local LdG free- energy density $f_{\mathrm{LdG}}\left(\bm{r}\right)$, $f_{0}=AS^{2}+BS^{3}+CS^{4}$ is the LdG free-energy density obtained under the same thermodynamic conditions but in the absence of the colloids, and $\Delta f_{\mathrm{LdG}}\left(\bm{r}\right)\equiv f_{\mathrm{LdG}}\left(\bm{r}\right)-f_{0}$. Coefficients $A$, $B$, and $C$ are coefficients in the LdG expansion and $S$ is the global nematic order parameter. The two terms on the second line of Eq. (1) correspond to the local Frank free-energy density $f_{\mathrm{el}}\left(\bm{r}\right)$ that accounts for elastic distortions of the director field where $K$ is an elastic constant. We consider here the so-called one-constant approximation in which it is assumed that splay, twist, and bend deformations of $\bm{\widehat{n}}\left(\bm{r}\right)$ contribute equally to $f_{\mathrm{el}}\left(\bm{r}\right)$. It has recently been shown [13] that the one-constant approximation is an excellent approximation for the present model system because of the small aspect ratio of the mesogens. Under the present thermodynamic conditions, $K=1.66$. We then obtain $f_{\mathrm{el}}$ by numerically differentiating $\bm{\widehat{n}}\left(\bm{r}\right)$ [12]. We assume that both the local LdG contribution in Eq. (1) and $f_{0}$ are governed by the same set $A$, $B$, and $C$. Moreover, $\Delta f\left(\bm{r}\right)$ in Eq. (1) does not account for either fluctuations in $S\left(\bm{r}\right)$ or $\bm{\widehat{n}}\left(\bm{r}\right)$ and therefore constitutes a mean-field expression. Notice also that using in Eq. (1) $S\left(\bm{r}\right)$ and $\bm{\widehat{n}}\left(\bm{r}\right)$ from MC is advantageous because then both quantities correspond to an equilibrium situation. Conventionally, $S\left(\bm{r}\right)$ and $\bm{\widehat{n}}\left(\bm{r}\right)$ are treated as variational functions in the ansatz in Eq. (1) which bears the risk that the numerical minimization of the functional $\Delta f\left[S\left(\bm{r}\right),\bm{\widehat{n}}\left(\bm{r}\right)\right]$ may miss the true equilibrium solution. To use Eq. (1), $A$, $B$, and $C$ are required. Whereas these quantities are notoriously difficult to compute for reasons described by Eppenga and Frenkel a long time ago [14], Gupta and Ilg have devised a new approach that works reliably for mesogens with a relatively large aspect ratio [15]. In practice, however, we observed that the method of Gupta and Ilg does not work well for our model fluid where mesogens have a rather small aspect ratio of only $1.26$. Because Eq. (1) constitutes a mean-field expression we resort to mean-field DFT alternatively where [16] $\beta\Delta f_{\mathrm{or}}=\rho\int\limits_{-1}^{1}\mathrm{d}x\,\overline{\alpha}\left(x\right)\ln\left[\overline{\alpha}\left(x\right)\right]+\rho^{2}\sum\limits_{\begin{subarray}{c}l=2\\\ l\text{ even}\end{subarray}}^{\infty}S_{l}^{2}u_{l}$ (2) is the difference in free-energy density of the nematic relative to the isotropic phase. In Eq. (2), $x=\cos\vartheta$ where $\vartheta$ is the azimuthal angle, $\beta=1/k_{\mathrm{B}}T$, $\overline{\alpha}\left(x\right)$ is the orientation distribution function, and members of the set $\left\\{u_{l}\right\\}$ account for the contribution of anisotropic mesogen- mesogen interactions to the free-energy density. Because of the uniaxial symmetry of the nematic phase we expand $\overline{\alpha}\left(x\right)=\frac{1}{2}+\sum\limits_{\begin{subarray}{c}l=2\\\ l\text{ even}\end{subarray}}^{\infty}\frac{2l+1}{2}S_{l}P_{l}\left(x\right)\equiv\frac{1}{2}+\xi\left(x\right)$ (3) in terms of Legendre polynomials $\left\\{P_{l}\left(x\right)\right\\}$. We assume $\bm{\widehat{n}}_{0}\cdot\bm{\widehat{e}}_{\mathrm{z}}=1$ and $0\leq S_{l}\leq 1$ are order parameters. We then insert the expression on the far right side of Eq. (3) into Eq. (2) and expand the integrand in terms of $\xi$ around $\xi=0$ (i.e., at the IN phase transition). Retaining in this expansion only the leading term of $\xi$ for $l=2$ and neglecting terms proportional to $S_{2}^{n}$ ($n\geq 5$) allows us to rewrite Eq. (2) as $\Delta f_{\mathrm{or}}=a\left(\rho\right)\left(T-T^{\ast}\right)S_{2}^{2}-\frac{8\rho k_{\mathrm{B}}T}{105}S_{2}^{3}+\frac{4\rho k_{\mathrm{B}}T}{35}S_{2}^{4}$ (4) where $a\left(\rho\right)=2\rho k_{\mathrm{B}}/5$ and $T^{\ast}=-5\rho u_{2}/2k_{\mathrm{B}}$ is the temperature at which the nematic phase becomes thermodynamically stable. Assuming that $S=S_{2}$ we equate terms of equal power in $S$ in $f_{0}$ and Eq. (4) which yields molecular expressions for the LdG constants $A$, $B$, and $C$. In particular, $A$ changes sign at $T=T^{\ast}$, $B<0$, and $C>0$ as they must at a first-order phase transition [1]. One also notices that the value of $T^{\ast}$ depends on $u_{2}$ where the precise form of $u_{2}$ is a consequence of the level of sophistication at which pair correlations are treated within mean-field DFT [11]. For example, at simple mean-field (SMF) level, $u_{2}=-32\pi\varepsilon_{1}\varepsilon\sigma^{3}/15$ is a constant. At the more elaborate modified mean-field (MMF) level, $u_{2}$ becomes a function of $T$ [see Eqs. (3.7) and (3.8) of Ref. 11]. It turns out that at SMF level, $T^{\ast}$ is underestimated whereas at MMF level it is overestimated. To overcome this problem we determine $T^{\ast}$ via FSS. Following Ref. 17 we first calculate the coexistence temperature $T_{\mathrm{IN}}\simeq 1.02$ at the IN phase transition. It is given as the intersection of the second-order Binder cumulants of $S$ for different system sizes [17]. From the expression $T^{\ast}=T_{\mathrm{IN}}-2B^{2}/9aC$ [18] and using $B$, $C$, and $a$ from DFT, $T^{\ast}$ can easily be determined. Notice also that $S_{\mathrm{IN}}=-2B/3C=\frac{4}{9}$ irrespective of $T_{\mathrm{IN}}$ [1] whereas MMF DFT predicts this value of $S_{\mathrm{IN}}$ only to be a threshold reached for sufficiently high $T_{\mathrm{IN}}$ (Fig. 2 of Ref. 11) thus pointing to a certain deficiency of LdG theory. Figure 2: (Color online) $\mathcal{F}_{\mathrm{el}}=\int\mathrm{d}\bm{r}\,f_{\mathrm{el}}\left(\bm{r}\right)$ ($\bullet$) (left ordinate) and $\Delta\mathcal{F}_{\mathrm{LdG}}=\int\mathrm{d}\bm{r}\,\Delta f_{\mathrm{LdG}}\left(\bm{r}\right)$ ($\blacksquare$) (right ordinate) as functions of $\theta$ for $r_{12}=2r_{0}$ (see Fig. 1). Plots of $\mathcal{F}_{\mathrm{el}}$ and $\Delta\mathcal{F}_{\mathrm{LdG}}$ in Fig. 2 illustrate the impact of a colloidal pair on the free energy of the host phase. Both quantities vary nonmonotonically with the angle $\theta$ and exhibit minima at $\theta\simeq 30^{\circ}$ in agreement with the experimental findings of Poulin and Weitz [8]. Because deformations of $\bm{\widehat{n}}\left(\bm{r}\right)$ cost free energy, $\mathcal{F}_{\mathrm{el}}>0$. Similarly, the presence of the colloids reduces $S\left(\bm{r}\right)$ such that in some regions $S>S\left(\bm{r}\right)$ (see Fig. 1). Because the host phase without the colloids is deep in the nematic phase, $f_{0}<0$ such that $\Delta\mathcal{F}_{\mathrm{LdG}}>0$ as well. That both $\mathcal{F}_{\mathrm{el}}$ and $\Delta\mathcal{F}_{\mathrm{LdG}}$ become minimal at about the same $\theta$ indicates that destortions of $\bm{\widehat{n}}\left(\bm{r}\right)$ and a local reduction of nematic order are coupled. However, deformations of $\bm{\widehat{n}}\left(\bm{r}\right)$ turn out to be more important than reduction of nematic order because $\mathcal{F}_{\mathrm{el}}$ exceeds $\Delta\mathcal{F}_{\mathrm{LdG}}$ by between one and two orders of magnitude over the entire range of $\theta$’s. This conclusion is drawn on the basis of plots in Fig. 2 and by noticing that for both curves the ground state is the same, namely $\bm{\widehat{n}}\left(\bm{r}\right)=\bm{\widehat{n}}_{0}$ ($\mathcal{F}_{\mathrm{el}}=0$) and $S\left(\bm{r}\right)=S$ ($\Delta\mathcal{F}_{\mathrm{LdG}}=0$). Figure 3: (Color online) $\Delta\mathcal{F}_{\mathrm{eff}}/\Delta\mathcal{F}_{\mathrm{B}}$ as a function of relative positions of the colloids in the $x$–$y$ plane (see attached color bar). The white semicircle at the center represents a reference colloid. Results presented in Fig. 2 have been obtained for two colloids in contact with each other. However, the general physical picture reflected by Fig. 2 is preserved if besides $\theta$, $r_{12}$ is varied, too. To that end we realize from Eq. (1) that $\lim_{r_{12}\to\infty}\Delta f\left(\bm{r}\right)=2\Delta f_{\mathrm{B}}\left(\bm{r}\right)$ where $\Delta f_{\mathrm{B}}\left(\bm{r}\right)$ is the local free energy density of two isolated Boojum defects relative to the same ground state used above. Taking $\Delta\mathcal{F}_{\mathrm{B}}=\int\mathrm{d}\bm{r}\,\Delta f_{\mathrm{B}}\left(\bm{r}\right)$ allows us to introduce $\Delta\mathcal{F}_{\mathrm{eff}}\equiv\mathcal{F}_{\mathrm{el}}+\Delta\mathcal{F}_{\mathrm{LdG}}-2\Delta\mathcal{F}_{\mathrm{B}}$ as the effective potential acting between a pair of colloids and mediated by the nematic host. A map of $\Delta\mathcal{F}_{\mathrm{eff}}$ in Fig. 3 shows that for $\theta=0^{\circ}$, $\Delta\mathcal{F}_{\mathrm{eff}}$ is strongly repulsive in a relatively localized region. This is a consequence of the merger of parts of the Boojum defect illustrated by Figs. 1(a) and 1(d). In agreement with plots in Fig. 2 we see that $\Delta\mathcal{F}_{\mathrm{eff}}$ is attractive if $r_{12}$ is sufficiently small where the absolute minimum of $\Delta\mathcal{F}_{\mathrm{eff}}$ is found at $\theta\approx 30^{\circ}$. One also notices from Fig. 3 a small repulsive barrier in $\Delta\mathcal{F}_{\mathrm{eff}}$ as $\theta$ approaches $90^{\circ}$ and $7\lesssim r_{12}\lesssim 10$. Hence, a pair of colloids at $\theta\approx 0^{\circ}$ and at sufficiently large $r_{12}$ and $75^{\circ}\lesssim\theta\lesssim 90^{\circ}$ would repel each other whereas those forming an angle of $\theta\approx 30^{\circ}$ would attract each other. These findings are in excellent agreement with experimental observations [Fig. 2(b) of Ref. 10]. Figure 4: (Color online) 2D MC configurations ($\bm{\widehat{n}}_{0}\cdot\bm{\widehat{e}}_{\mathrm{x}}=1$). (a) $\phi=N_{\mathrm{coll}}\pi r_{0}^{2}/s_{\mathrm{x}}s_{\mathrm{y}}=0.065$, (b) $\phi=0.234$ ($s_{\mathrm{x}}=s_{\mathrm{y}}=50$). Taking $\Delta\mathcal{F}_{\mathrm{eff}}$ as an effective, pairwise additive potential we perform standard Metropolis 2D MC simulations of $N_{\mathrm{coll}}$ colloids modeling the nematic host phase implicitly. Technically, $\Delta\mathcal{F}_{\mathrm{eff}}$ is stored at nodes of a regularly spaced grid in the $x$–$y$ plane; the actual value of $\Delta\mathcal{F}_{\mathrm{eff}}$ at $\bm{r}_{12}$ is obtained by bilinear interpolation between the four nearest nodes. The simulations are carried out in the canonical ensemble. Results in Fig. 4(a) show that at low packing fraction $\phi$ the colloids tend to form linear chains of an angle of about $30^{\circ}$ with $\bm{\widehat{n}}_{0}$. At higher $\phi$ the snapshot in Fig. 4(b) reveals more extended two-dimensional structures. Plots in both parts of Fig. 4 are in excellent qualitative agreement with experimental findings (see Fig. 1 of Ref. 10). To summarize we used a combination of MC simulations, FSS, and mean-field DFT to compute the effective interaction potential between a pair of colloids immersed in a nematic liquid crystal. The colloids are chemically homogeneous and anchor mesogens in a locally planar fashion at their surface. On accound of the mismatch between this local alignment and $\bm{\widehat{n}}_{0}$ a Boojum defect topology emerges at an isolated colloid. If two such colloids approach each other the Boojum defects interact such that the precise topology changes with the angle $\theta$ formed between the distance vector connecting the centers of the colloidal pair and $\bm{\widehat{n}}_{0}$. As a result of the topological change repulsive and attractive effective interactions arise. These are dominated by the distortion of $\bm{\widehat{n}}\left(\bm{r}\right)$ whereas the accompanying reduction of local nematic order is negligible. Most notably, the distribution of regions in which the effective interaction potential $\Delta\mathcal{F}_{\mathrm{eff}}$ is attractive or repulsive matches experimental results reported by Smalyukh et al. despite their much larger colloids [10]. It is particularly gratifying that the most favorable angle we find is $\theta\approx 30^{\circ}$ in agreement with the work by Poulin and Weitz [8] and Smalyukh et al. [10]. Our work therefore offers the first quantitative theoretical explanation of earlier experimental observations. Moreover, we show that it is the relatively short-range effects that are responsible for the observed attraction and repulsion between nematic colloids thereby confirming the earlier conjecture by Poulin and Weitz [8]. ###### Acknowledgements. We acknowledge financial support from Deutsche Forschungsgemeinschaft through the International Graduate Research Training Group 1524. S. S. and M. M. are grateful for discussions with Prof. C. K. Hall (NCSU). ## References * [1] P. G. de Gennes and J. Prost, The physics of liquid crystals, (Oxford Science Publications, Oxford, 1995). * [2] V. S. R. Jampani et al., Phys. Rev. E 84, 031703 (2011). * [3] K. Izaki and Y. Kimura, Phys. Rev. E 87, 062507 (2013). * [4] U. Ognysta et al., Langmuir 25, 12092 (2009). * [5] H. Qi and T. Hegmann, J. Mater. Chem. 16, 4197 (2006). * [6] M. Humar et al., Nat. Photonics 3, 595 (2009). * [7] I. Muševic et al., J. Phys.: Condens. Matter 23, 284112 (2011). * [8] P. Poulin and D. A. Weitz, Phys. Rev. E 57, 626 (1998). * [9] P. Poulin et al., Science 275, 1770 (1997). * [10] I. I. Smalyukh et al., Phys. Rev. Lett. 95, 157801 (2005). * [11] S. Giura and M. Schoen, Phys. Rev. E 90, 022507 (2014). * [12] M. Melle et al., J. Chem. Phys. 136, 194703 (2012). * [13] T. Stieger et al., J. Chem. Phys. 140, 054905 (2014). * [14] R. Eppenga and D. Frenkel, Mol. Phys. 52, 1303 (1984). * [15] B. Gupta and P. Ilg, Polymers, 5, 328 (2013). * [16] S. Giura et al., Phys. Rev. E 87, 012313 (2013). * [17] M. Greschek and M. Schoen, Phys. Rev. E 83, 011704 (2011). * [18] L. Senbetu and C.-W. Woo, Mol. Cryst. Liq. Cryst. 84, 101 (1982).
arxiv-papers
2014-02-28T08:46:51
2024-09-04T02:49:59.092221
{ "license": "Public Domain", "authors": "Sergej Schlotthauer, Tillmann Stieger, Michael Melle, Marco G. Mazza,\n and Martin Schoen", "submitter": "Marco G. Mazza", "url": "https://arxiv.org/abs/1402.7165" }
1402.7187
# Entanglement detection in coupled particle plasmons Javier del Pino Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, Madrid E-28049, Spain Instituto de Física Fundamental, IFF-CSIC, Calle Serrano 113b, Madrid E-28006, Spain Johannes Feist Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, Madrid E-28049, Spain F.J. García-Vidal Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, Madrid E-28049, Spain Juan Jose García-Ripoll Instituto de Física Fundamental, IFF-CSIC, Calle Serrano 113b, Madrid E-28006, Spain ###### Abstract When in close contact, plasmonic resonances interact and become strongly correlated. In this work we develop a quantum mechanical model for an array of coupled particle plasmons. This model predicts that when the coupling strength between plasmons approaches or surpasses the local dissipation, a sizable amount of entanglement is stored in the collective modes of the array. We also prove that entanglement manifests itself in far-field images of the plasmonic modes, through the statistics of the quadratures of the field, in what constitutes a novel family of entanglement witnesses. Finally, we estimate the amount of entanglement, the coupling strength and the correlation properties for a system that consists of two or more coupled nanospheres of silver, showing evidence that our predictions could be tested using present-day state- of-the-art technology. ###### pacs: 42.50.Dv, 73.20.Mf, 03.67.Mn Surface plasmons are hybrid light-matter excitations confined at the interface between a metal and a dielectric. Due to their small mode volume and strong electromagnetic (EM) fields, surface plasmons interact very strongly with quantum optical emitters Chang _et al._ (2006); Dzsotjan _et al._ (2010); Andersen _et al._ (2011); Gonzalez-Tudela _et al._ (2011), such as quantum dots Akimov _et al._ (2007), NV-centers Kolesov _et al._ (2009) or inorganic Gomez _et al._ (2010) and organic molecules Bellessa _et al._ (2004); Schwartz _et al._ (2011). This, together with their broadband nature, small size and their inherent quantum properties make them a promising platform for future integrated quantum information technologies Tame _et al._ (2013). However, a very important problem lies in the characterization and control of those quantum properties. So far, several experiments have demonstrated that coupling photons in and out of plasmonic resonances preserves quantum features such as single-photon excitations and anti-bunching Akimov _et al._ (2007), photon-photon entanglement Altewischer _et al._ (2002), energy-time entanglement Fasel _et al._ (2005) and squeezing Huck _et al._ (2009). In this work we focus on the quantum properties of the surface plasmon themselves and in particular in how many-body entanglement can be engineered using arrays of coupled plasmonic modes. In this Letter, we present a plasmonic setup that intrinsically exhibits many- body entanglement and provide a recipe for characterizing it experimentally. Our results build on a quantum mechanical model for a 1D or a 2D array of coupled nanoparticles Maier _et al._ (2002a, b); Weick _et al._ (2013) that includes the dipole-dipole interaction between particle plasmons, the losses in each nanoparticle and the possibility of injecting energy via coherent or incoherent light. Using this model we can not only study the transport of excitations through the plasmonic band, but we also demonstrate the emergence of stationary entanglement in the array at room temperature. Moreover, we argue that this entanglement can be detected by measuring fluctuations in the far-field from the light that is emitted from the plasmonic array. We introduce three important theoretical ideas. The first one is a quantum mechanical model for the nanoparticle array that consists of an array of coupled oscillating dipoles with nearest-neighbor interaction and a local dissipation that accounts for the losses. This model results in a master equation for the density matrix associated with the plasmonic array. The second important idea is that, under very general circumstances, this density matrix will be Gaussian Weedbrook _et al._ (2012) and all properties of the array can be deduced from expectation values or “moments” of a finite set of operators. In practice this implies a single set of exactly solvable ordinary differential equations that fully describes the evolution of the quantum surface plasmons. This technique allows us to make predictions not only on the dynamics of the dipoles (i.e., absorption and transport of energy) but also about their correlations and the resulting entanglement. The final idea in this work is a formal study of the experimental observables that can detect the presence of entanglement in the plasmonic array, the so- called entanglement witnesses Gühne and Tóth (2009); Horodecki _et al._ (1996); Lewenstein _et al._ (2000); Terhal (2000); Bruß _et al._ (2002). To this end, we study the plasmonic band and compute the fluctuations of the EM field in momentum space. We formally prove that the presence of squeezing in the light with opposite momenta is a signature of entanglement. From an experimental point of view, this implies that by refocusing the far-field light emitted from the structure and studying its quantum fluctuations [cf. Fig. 1], the amount of entanglement that is present in the plasmonic array can be quantified. This general result is valid even when the Gaussian assumption or our underlying quantum model breaks down. Figure 1: An array of interacting nanoparticles gives rise to a set of coupled plasmonic modes. The far field emission of these modes is collected by a lens. By correlating the properties of the light at different points in the focal plane, we get information about the multipartite entanglement. We model our coupled particle plasmons as a set of $N$ oscillating dipoles forming a linear 1D array, which interact through nearest-neighbor dipole coupling and may be subject to external driving. The Hamiltonian reads ($\hbar=1$) $H=\sum_{n=1}^{N}\frac{\omega}{2}(p_{n}^{2}+x_{n}^{2})+\sum_{\langle n,m\rangle}gx_{n}x_{m}+\sum_{n=1}^{N}f_{n}(t)x_{n},$ (1) where $f_{n}(t)$ is a driving force, $x_{n}$ is the dipole moment of the particle plasmon and $p_{n}$ its associated canonical momentum. $g$ is the coupling strength between neighboring sites, $\left\langle{n,m}\right\rangle$, which are separated by a distance $\Lambda$. We introduce local dissipation by means of a master equation to describe the evolution of the quantum state or density matrix, $\rho$. This equation groups all plasmonic losses in a single parameter, $\gamma$, and reads $\displaystyle\partial_{t}\rho=-\frac{i}{\hbar}[H,\rho]+\sum_{n=1}^{N}\frac{\gamma}{2}(2a_{n}\rho a_{n}^{\dagger}-a_{n}^{\dagger}a_{n}\rho-\rho a_{n}^{\dagger}a_{n}),$ (2) where $a_{n}=\frac{1}{\sqrt{2}}(x_{n}+ip_{n})$ are the Fock operators that diagonalize each individual harmonic oscillator. Due to the quadratic nature of the problem, we can assume that the ground state of the array is Gaussian Weedbrook _et al._ (2012), as is usually done in linear optics. This implies that the density matrix $\rho$ can be reconstructed from the expectation values, $\left\langle{O}\right\rangle:=\mathrm{tr}(O\rho)$, of the operators $O\in\\{x_{n},p_{n},x_{n}x_{m},p_{n}p_{m},x_{n}p_{m}\\}$. Moreover, the evolution equations for these “moments” form a closed set of first order different equations that can be exactly solved, as described in detail in section I of the Supplemental Material. Let us start with the first moment equations, which describe the dynamics of the effective dipoles $d_{n}=\left\langle{x_{n}}\right\rangle$. It is straightforward to find a set of coupled driven classical harmonic oscillators subject to friction $\ddot{d}_{n}=-\left(\omega^{2}+\frac{\gamma^{2}}{4}\right)d_{n}-2\omega g\sum_{l}d_{l}-\gamma\dot{d}_{n}+f_{n},$ (3) where the sum over $l$ is over nearest neighbors of $n$. This is a classical model that has already been used to describe a particle plasmon array Brongersma _et al._ (2000) and shows the compatibility of our master equation with earlier theoretical studies. In particular, our equations must describe the transport of excitations and absorption of energy by the plasmonic array. In fact, we can use the available experimental results to extract quantitative information about the three parameters $g,\omega$ and $\gamma$, which characterize our modeling. Regarding transport, let us assume a coherent driving on the first site, $f_{1}(t)\sim\sin(\nu t)$, and study the asymptotic state of the dipoles as a function of the distance. From this calculation we can extract a propagation length, $\xi$, defined as $\xi=\frac{\sum_{n=1}^{N}n\Lambda\left|\left\langle{x_{n}}\right\rangle\right|}{\sum_{n=1}^{N}\left|\left\langle{x_{n}}\right\rangle\right|}.$ (4) For the case of a very long chain, this propagation length would determine the exponential decay of the plasmon population, $\left\langle{x_{n}}\right\rangle\sim e^{-n\Lambda/\xi}$. In Fig. 2a we show the propagation length in units of particle spacing, $\xi/\Lambda$, obtained numerically for a chain of $N=20$ oscillators, as a function of the coupling strength $g$ and plasmonic loss $\gamma$, under quasi-resonant driving ($\nu=0.99\omega$). Dissipation leads to a finite propagation length, which grows with $g$ and diverges at the critical point $g/\omega=1/2,\gamma=0$, where the current model becomes unphysical. Figure 2: (a) Average propagation length (in units of $\Lambda$) in the 1D chain of $N=20$ nanoparticles versus coupling strength, $g$, and local dissipation, $\gamma$. (b) Entanglement in the chain measured by the logarithmic negativity. (c) Entanglement witness in momentum space. While the first order moments reproduce predictions of the classical theory, the second order moments contain information about the non-classicality of the many-body particle plasmon state. In particular, the matrix of second order correlations, or covariance matrix, can also be exactly computed (see section I of the Supplemental Material) and used to quantify the amount of entanglement present in the plasmonic array. For this purpose let us eliminate the driving $f_{n}(t)$, whose role is merely to displace the different oscillator modes, without adding entanglement. In the absence of this driving, we focus on the second order moment for the covariance matrix $\sigma_{i,j}=\frac{1}{2}\left\\{\langle R_{i}R_{j}\rangle-\langle R_{i}\rangle\langle R_{j}\rangle\right\\},$ (5) where $\mathbf{R}^{T}=(x_{1},\ldots,x_{L},p_{1},\ldots,p_{L})$ is a vector that groups all positions and momenta. Let us consider a bipartition of the plasmonic array into two subarrays, A and B. It is clear that the covariance matrix can be split into boxes that group the operators of one or the other array, $\sigma=\left(\begin{matrix}\sigma_{AA}&\sigma_{AB}\\\ \sigma_{BA}&\sigma_{BB}\end{matrix}\right),$ (6) together with some off-diagonal terms, $\\{\sigma_{AB},\sigma_{BA}\\}$ that imply some correlation (quantum or classical) between the two arrays. In order to quantify purely quantum correlations, we compute the so called negativity Weedbrook _et al._ (2012), $E_{N}[\sigma;A,B]$. A value of $E_{N}[\sigma;A,B]$ above zero means that the plasmonic array is entangled at least with respect to this bipartition. Subsequent application of this criterion to different partitions of the array can be used to ensure true multipartite entanglement. The results of this calculation are shown in Fig. 2b for a 1D array of 20 nanoparticles divided into two blocks of 10 consecutive particles. We plot the negativity as a function of the coupling strength $g$ and the plasmonic loss $\gamma$. As expected, entanglement grows with $g$ and becomes maximum at the critical point $g=\omega/2,\gamma=0$, where the propagation length diverges. The effect of dissipation is to decrease the entanglement, which remains sizable for moderate coupling strengths, $g\simeq\gamma$. Unfortunately, the negativity is not an observable. It may be estimated from the full covariance matrix if a sufficiently accurate reconstruction of this matrix is available, but this is an experimentally daunting task. It would therefore be interesting to have an experimental criterion that allows the detection of entanglement in the plasmonic chain with the least number of measurements, while being robust to noise and imperfections. For this task we suggest what is called an entanglement witness Gühne and Tóth (2009); Horodecki _et al._ (1996); Lewenstein _et al._ (2000); Terhal (2000); Bruß _et al._ (2002). A witness is an observable $W$ such that when its expectation value $\langle W\rangle=\mathrm{Tr}(W\rho)$ becomes negative, we can positively assure that the state $\rho$ is not separable. There are several such entanglement criteria in the literature of quantum optics. One of them is the so-called Duan criterion for detecting two-mode squeezing Duan _et al._ (2003), which was later extended by Hyllus and Eisert Hyllus and Eisert (2006) to include multipartite entanglement. In this work we develop a very general but simpler version of this last protocol. Theorem: Let us take two vectors $\mathbf{u}_{1}$ and $\mathbf{u}_{2}$ which satisfy the following conditions: (i) they are normalized, $\|{\mathbf{u}_{i}}\|=1$, (ii) have the same modulus element-wise ($|u_{1,i}|=|u_{2,i}|$) and (iii) define two pairs of canonical variables, $X_{k}=\sum_{j=1}^{L}u_{k,j}x_{j},\ \mathrm{and}\ P_{k}=\sum_{j=1}^{L}u_{k,j}p_{j}.$ (7) If the two opposite quadratures are squeezed $\langle\Delta{X}_{1}^{2}\rangle+\langle\Delta{P}_{2}^{2}\rangle<1,$ (8) then the state is entangled. The demonstration of this theorem is presented in the Supplemental Material, section II. While the conditions (i)-(ii) might seem rather artificial, they can be satisfied by the normal modes of the plasmonic array. The undriven part of Hamiltonian (1) can be diagonalized using normal modes $\\{X_{k},P_{k}\\}$ (see details in section III of the Supplemental Material) $H_{0}=\sum_{k}\frac{\omega}{2}(P_{k}^{2}+\lambda_{k}X_{k}^{2}),$ (9) where $k$ represents the quantized momentum, $k=\pi j/[(N+1)\Lambda]$ with $j$ running from $1$ to $N$. The magnitude $\lambda_{k}=1+2(g/\omega)\cos k\Lambda$ determines the plasmonic dispersion band, $\omega_{k}=\omega\sqrt{\lambda_{k}}$. Therefore, in the case of a 1D linear chain (corresponding to open boundary conditions) and for a very large number of nanoparticles, $\mathbf{u}_{1}$ and $\mathbf{u}_{2}$ of the theorem could be the wavefunctions associated to two eigenmodes with opposite momenta $(k,k^{\prime})=(k,\pi/\Lambda-k)$, which are equal in modulus and only differ in the fact that one has alternating signs and the other does not, $u_{1,j}=(-1)^{j}u_{2,j}$. From a practical point of view, this means that we can detect entanglement by looking for squeezing among states with momenta $k$ and $(\pi/\Lambda-k)$. In other words, we can define our entanglement witness $W_{k}:=\mathrm{min}\\{0,\langle\Delta{X_{k}}^{2}\rangle+\langle\Delta{P}_{\pi/\Lambda-k}^{2}\rangle-1\\},$ (10) so that $W_{k}<0$ implies entanglement. For the particular case $k=0$, i.e., the extrema of the dispersion band, we can find an analytical expression for the entanglement witness (see details in section III of the Supplemental Material) $W_{0}=1+\frac{\frac{2g}{\omega}(\frac{2g}{\omega}-1)}{\frac{\gamma^{2}}{\omega^{2}}+4(1-\frac{2g}{\omega})}-\frac{\frac{2g}{\omega}}{\frac{\gamma^{2}}{\omega^{2}}+4(1+\frac{2g}{\omega})}.$ (11) Fig. 2c presents the numerical results corresponding to $W_{0}$. As it shown in the plot, the growth of the witness follows the same trend as that of the negativity, hence providing the same amount of information. Figure 3: Absorption versus frequency for a single silver nanosphere (red line) and a dimer (blue line). In these calculations the radii of the nanoparticles is set to $R=25$ nm whereas the separation between nanoparticles in the dimer case is $2$ nm. The dashed grey line represents a Lorentzian fit to the absorption spectrum of the single nanosphere that is used to estimate $\gamma$. In what follows we describe how this entanglement could be measured using present-day state-of-the-art technology. Squeezing in the plasmonic band is related to entanglement, and the same applies to far-field images of the lattice. The light emitted by the plasmons maps the quadratures in the collective variables $\\{X_{k},P_{k}\\}$ onto the equivalent variables of the field propagating along directions $\pm k$. This light can be collected by a large aperture lens, so that each value of the momentum is mapped to a different point on the focal plane of the lens, as sketched in Fig. 1. Selecting the photons with the appropriate momenta, we can perform homodyne detection Weedbrook _et al._ (2012); Welsch _et al._ (1999) to measure the quadratures and recover the value of $W_{k}$ mentioned above. Moreover, two important features make this a very useful protocol. The first one is that our choice of witness (i.e., momentum pairs) is not relevant, as we get similar results for other values of the momentum. This is a signature that the state is indeed many-body entangled. The second one is that while we have estimated $W_{k}$ using Gaussian states, the entanglement witness is valid for any physical state. In other words, measuring $W_{k}$ detects entanglement irrespectively of the underlying physical model. The proposed measurements could be realized using different types of coupled plasmonic modes. One interesting possibility is provided by already existing setups with gold or silver nanoparticles Maier _et al._ (2002a, b). Earlier experiments with such nanoparticles revealed short propagation lengths, discouraging the use of such arrays for the transport of quantum information. However, in Fig. 2 it can be appreciated that, while the plasmon propagation length is related to the coupling strength and local loss, there can be a non- zero amount of entanglement even when the surface plasmons do not propagate efficiently. As an example and to provide a quantitative and realistic estimation, we have calculated the EM coupling between two silver nanospheres of radii $R=25~{}$nm and separated by a distance of $2~{}$nm. As shown in Fig. 3, we obtain a coupling strength of around $g/\omega\approx 0.15$. By looking at the absorption spectrum for a single nanoparticle we can also extract a value for the loss coefficient, $\gamma/\omega\approx 0.08$. These two values for $g$ and $\gamma$ are fully compatible with earlier works studying larger arrays Harris _et al._ (2009). For this coupling and the associated plasmonic loss, we expect a measurable amount of squeezing, $12\%$ (see Fig. 2c), which would be a conclusive evidence of many-body entanglement within the plasmonic array. Summing up, in this work we have studied a quantum model for an array of particle plasmons. The model, which can be extended to any system of interacting plasmonic resonances, not only describes the collective resonances and the transport of excitations through the system, but it also predicts the existence of many-body entanglement in the system. Using the formalism of Gaussian states and entanglement witnesses we have provided an experimental protocol to detect this entanglement and estimated the strength of the measurement outcomes for realistic setups. The entanglement witness developed in this work is quite general, as it detects entanglement in far-field images even for states that are not Gaussian, including coupled surface plasmons that do not fall within our model. Moreover, some of these ideas can be exported to other fields, such as nanophotonics, matter waves and the study of coupled resonators in superconducting circuits. This work has been funded by the European Research Council (ERC-2011-AdG Proposal No. 290981). We also acknowledge financial support from EU FP7 project PROMISCE, CAM Research Consortium QUITEMAD (S2009-ESP-1594) and Spanish MINECO projects FIS2012-33022 and MAT2011-28581-C02-01. ## References * Chang _et al._ (2006) D. E. Chang, A. S. Sørensen, P. R. Hemmer, and M. D. Lukin, Phys. Rev. Lett. 97, 053002 (2006). * Dzsotjan _et al._ (2010) D. Dzsotjan, A. S. Sørensen, and M. Fleischhauer, Phys. Rev. B 82, 075427 (2010). * Andersen _et al._ (2011) M. L. Andersen, S. Stobbe, A. S. Sørensen, and P. Lodahl, Nat. Phys. 7, 215 (2011). * Gonzalez-Tudela _et al._ (2011) A. Gonzalez-Tudela, D. Martin-Cano, E. Moreno, L. Martin-Moreno, C. Tejedor, and F. J. Garcia-Vidal, Phys. Rev. Lett. 106, 020501 (2011). * Akimov _et al._ (2007) A. 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A 271, 319 (2000). * Bruß _et al._ (2002) D. Bruß, J. I. Cirac, P. Horodecki, F. Hulpke, B. Kraus, M. Lewenstein, and A. Sanpera, J. Mod. Optics 49, 1399 (2002). * Brongersma _et al._ (2000) M. L. Brongersma, J. W. Hartman, and H. A. Atwater, Phys. Rev. B 62, R16356 (2000). * Duan _et al._ (2003) L.-M. Duan, G. Giedke, J. I. Cirac, and P. Zoller, in _Quantum Information with Continuous Variables_ (Springer, 2003) pp. 145–153. * Hyllus and Eisert (2006) P. Hyllus and J. Eisert, New J. Phys. 8, 51 (2006). * Welsch _et al._ (1999) D.-G. Welsch, W. Vogel, and T. Opatrný, in _Progress in Optics_, Vol. 39, edited by E. Wolf (Elsevier, 1999) pp. 63 – 211. * Harris _et al._ (2009) N. Harris, M. D. Arnold, M. G. Blaber, and M. J. Ford, J. Phys. Chem. C 113, 2784 (2009). Supplemental Material ## I. Moment equations We develop the general framework for studying the steady state of Hamiltonians with quadratic bosonic operators. In the first place, it is convenient to define $\boldsymbol{R}^{T}=\left(x_{1},\ldots,x_{N},p_{1},\ldots,p_{N}\right)$ and write $H$ as a quadratic form $H=\frac{1}{2}\boldsymbol{R}^{T}\boldsymbol{B}\boldsymbol{R}+\boldsymbol{F}(t)^{T}\boldsymbol{R},$ (12) where $\boldsymbol{B}$ is a real, symmetric matrix and $\boldsymbol{F}(t)^{T}=\left(f_{1}(t),\ldots,f_{N}(t),0,\ldots,0\right)$ accounts for possible driving forces. If the time evolution of a density matrix $\rho$ is given by $\displaystyle\partial_{t}\rho=-i[H,\rho]+\sum_{n}\frac{\gamma}{2}(2a_{n}\rho a_{n}^{\dagger}-a_{n}^{\dagger}a_{n}\rho-\rho a_{n}^{\dagger}a_{n}),$ (13) where $a_{n}=\frac{1}{\sqrt{2}}(x_{n}+ip_{n})$, we can easily show that the time evolution of the mean value of a time-independent operator $O$ is given in a compact form as $\partial_{t}\langle O\rangle=-i\langle\left[O,H\right]\rangle+\sum_{n}\frac{\gamma}{2}\langle[a_{n}^{\dagger},O]a_{n}+a_{n}^{\dagger}\left[O,a_{n}\right]\rangle.$ (14) Here, we used the cyclic invariance of the trace and $\mathrm{Tr}\left\\{\dot{\rho}O\right\\}=\partial_{t}\langle O\rangle$. We apply this idea to the first and second moments of the quadratures, $O\in\\{x_{n},p_{n},x_{n}x_{m},p_{n}p_{m},x_{n}p_{m}\\}$. Writing Eq. 14 in the quadrature basis, we get $\partial_{t}\langle O\rangle\\!=\\!-i\langle[O,H]\rangle\\!+\\!\sum_{nm}\frac{\Gamma_{nm}}{2}\langle[R_{m}^{\dagger},O]R_{n}\\!+\\!R_{m}^{\dagger}[O,R_{n}]\rangle,$ (15) where $\boldsymbol{\Gamma}=\bigoplus_{n=1}^{N}\frac{\gamma}{2}\left(\begin{array}[]{cc}1&-i\\\ i&1\end{array}\right)$ is a matrix that contains the effective dissipation rates corresponding to operators $R_{n}$ and $R_{m}$ in this expression. The $\bigoplus$ symbol denotes the direct sum of matrices, so for a set of matrices $\\{A_{n}\\}$, $\bigoplus_{n}A_{n}=\mathrm{diag}(A_{1},A_{2},\ldots,A_{n})$. If we now make use of the commutation relations for quadrature operators, written in compact form as $[R_{n},R_{m}]=i\Omega_{nm}\quad\mathrm{with}\quad\boldsymbol{\Omega}=\left(\begin{array}[]{cc}0&\boldsymbol{1}_{N}\\\ -\boldsymbol{1}_{N}&0\end{array}\right),$ (16) where $\boldsymbol{1}_{N}$ denotes the $N\mathrm{-dimensional}$ identity matrix, it is straightforward to arrive to a closed set of $2N$ equations for the first moments $\langle\boldsymbol{R}\rangle$, which we write in matrix form as $\partial_{t}\langle\boldsymbol{R}\rangle=\left(\boldsymbol{W}+\boldsymbol{\Omega F}(t)\right)\langle\boldsymbol{R}\rangle$ (17) where $\boldsymbol{W}=\boldsymbol{\Omega B}+\frac{i}{2}(\boldsymbol{\Omega\Gamma}+(\boldsymbol{\Gamma\Omega})^{T})$. As discussed in the main text, the second moments give information about the nonclassical properties of the plasmonic array. In the same spirit, we can write the following $2N\times 2N$ equations for the second moments $\langle\boldsymbol{C}\rangle=\langle\boldsymbol{R}\boldsymbol{R}^{T}\rangle$ $\partial_{t}\langle\boldsymbol{C}\rangle=\boldsymbol{W}\langle\boldsymbol{C}\rangle+\langle\boldsymbol{C}\rangle\boldsymbol{W}^{T}-2\left(\boldsymbol{\Omega\Gamma\Omega}\right){}^{T}.$ (18) Here, for simplicity, we have set $\boldsymbol{F}=0$ since its role is merely to displace the first moments as we discuss in the main text and has no effect on correlations. Now, for instance, let us consider our particular case in which, $\boldsymbol{B}=\boldsymbol{A}\oplus\boldsymbol{1}_{N}$, i.e., the Hamiltonian may be written in the form $H=\frac{\omega}{2}\mathbf{p}^{T}\mathbf{p}+\frac{\omega}{2}\mathbf{x}^{T}A\mathbf{x}+\mathbf{f}(t)^{T}\mathbf{x},$ (19) where $\mathbf{x}^{T}=(x_{1},\ldots,x_{N})$, $\mathbf{p}^{T}=(p_{1},\ldots,p_{N})$, $\mathbf{f}(t)^{T}=(f_{1}(t),\ldots,f_{N}(t))$ and $\boldsymbol{A}$ is a sparse matrix whose diagonal is unity, and the only other nonzero elements are those connecting nearest neighbor sites, which are given by $2g/\omega$. In this case we can write for the first moments $\displaystyle\partial_{t}\langle x_{n}\rangle$ $\displaystyle=\omega\langle p_{n}\rangle-\frac{\gamma}{2}\langle x_{n}\rangle,$ (20) $\displaystyle\partial_{t}\langle p_{n}\rangle$ $\displaystyle=-\omega\langle x_{n}\rangle-\frac{\gamma}{2}\langle p_{n}\rangle-2g\sum_{l}\langle x_{l}\rangle+f_{n},$ (21) where the sum over $l$ is over nearest neighbors of $n$. We then obtain the equation for the effective dipole operator $d_{n}=\langle x_{n}\rangle$, $\ddot{d}_{n}=-\left(\omega^{2}+\frac{\gamma^{2}}{4}\right)d_{n}-2\omega g\sum_{l}d_{l}-\gamma\dot{d}_{n}+f_{n},$ (22) which describe the dynamics of a set of coupled, driven harmonic oscillators subject to friction. Additionally, the equations for the second moments read $\displaystyle\partial_{t}\langle x_{n}x_{m}\rangle$ $\displaystyle=\omega\langle x_{n}p_{m}\\!+\\!p_{n}x_{m}\rangle-\gamma\langle x_{n}x_{m}\rangle$ (23) $\displaystyle\partial_{t}\langle p_{n}p_{m}\rangle$ $\displaystyle=-\omega\langle x_{n}p_{m}+p_{n}x_{m}\rangle-\gamma\langle p_{n}p_{m}\rangle-$ $\displaystyle-2g\sum_{l}(\langle p_{n}x_{l}\rangle+\langle p_{m}x_{l}\rangle)$ (24) $\displaystyle\partial_{t}\langle x_{n}p_{m}\rangle$ $\displaystyle=-\omega\langle x_{n}x_{m}\rangle+\omega\langle p_{n}p_{m}\rangle-$ $\displaystyle-\frac{\gamma}{2}\langle x_{n}p_{m}+p_{n}x_{m}\rangle-2g\sum_{l}\langle x_{n}x_{l}\rangle$ (25) $\displaystyle\partial_{t}\langle x_{n}p_{m}\rangle$ $\displaystyle=\partial_{t}\langle p_{m}x_{n}\rangle.$ (26) From their steady state solution in the absence of driving, $\partial_{t}\langle\boldsymbol{R}\rangle=0=\partial_{t}\langle\boldsymbol{C}\rangle$, we build the covariance matrix. $\sigma_{i,j}=\frac{1}{2}\left\\{\langle R_{i}R_{j}\rangle-\langle R_{i}\rangle\langle R_{j}\rangle\right\\}.$ (27) Then, we consider a bipartition of the plasmonic array into two subarrays, $A$ and $B$, and compute the so-called logarithmic negativity between 2 bipartitions $E_{N}\left[\sigma;\,A,B\right]$. This quantity can be given in terms of the absolute value of the eigenvalues of the matrix $i\boldsymbol{\Omega\sigma}$, after performing a non-physical operation known as partial transposition, as is discussed in detail in Weedbrook _et al._ (2012). It can be shown that this non-physical operation is equivalent to changing the sign of the $p_{i}$ components of one of the subsystems. ## II. Entanglement witness: Proof Let us take two vectors $\mathbf{u}_{1}$ and $\mathbf{u}_{2}$ which satisfy these conditions: (i) they are normalized, $\|{\mathbf{u}_{i}}\|=1$, (ii) have the same modulus element-wise ($|u_{1,i}|=|u_{2,i}|$) and (iii) define two pairs of canonical variables, $X_{j}=\sum_{i}u_{ji}x_{i},\ \mathrm{and}\ P_{j}=\sum_{i}u_{ji}p_{i}$ with $j=1,2$. If we now compute the fluctuations of these operators assuming that the state is simply separable, $\rho=\bigotimes_{i}\rho_{i}$, we have $\displaystyle\langle{(\Delta{X_{1}})^{2}}\rangle+\langle{(\Delta{P_{2}})^{2}}\rangle=$ $\displaystyle\langle{X_{1}^{\dagger}X_{1}}\rangle-\langle{X^{\dagger}_{1}}\rangle\langle{X_{1}}\rangle+\langle{P_{2}^{\dagger}P_{2}}\rangle-\langle{P_{2}^{\dagger}}\rangle\langle{P_{2}}\rangle$ (28) $\displaystyle=$ $\displaystyle\sum_{i,j}\left[u_{i,1}^{*}u_{j,1}\langle x_{i}x_{j}\rangle+u_{i,2}^{*}u_{j,2}\langle p_{i}p_{j}\rangle\right]-\sum_{i,j}\left[u_{i,1}^{*}u_{j,1}\langle x_{i}\rangle\langle{x_{j}}\rangle+u_{i,2}^{*}u_{j,2}\langle p_{i}\rangle\langle{p_{j}}\rangle\right]$ $\displaystyle\stackrel{{\scriptstyle(1)}}{{=}}$ $\displaystyle\sum_{i}\left[|u_{i,1}|^{2}\langle\Delta{x}_{i}^{2}\rangle+|u_{i2}|^{2}\langle\Delta{p}_{i}^{2}\rangle\right]\stackrel{{\scriptstyle(2)}}{{=}}\sum_{i}|u_{i,1}|^{2}\left[\langle\Delta{x}_{i}^{2}\rangle+\langle\Delta{p}_{i}^{2}\rangle\right]\stackrel{{\scriptstyle(3)}}{{>}}=\sum_{i}|u_{i,1}|^{2}=1.$ Here we have used various key ideas: In $(1)$ we use the fact that the state is separable and thus $\langle{x_{i}x_{j}}\rangle=\langle{x_{i}}\rangle\langle{x_{j}}\rangle$ whenever $i\neq j$. In $(2)$ we use the fact that both vectors have the same modulus element-wise , $|u_{i1}|=|u_{i2}|$. Finally, in $(3)$ we use the fact that $\langle\Delta{A}^{2}\rangle+\langle\Delta{B}^{2}\rangle>=\|[A,B]\|$ and the normalization of the vectors. This proof can be extended to treat fully all possible cases of separable states, $\rho=\sum p_{i}\otimes_{j}\rho_{j}^{i}$, which are convex linear combinations of the previous situation we have shown. In this case the only difference is that there appear additional cross-terms due to the linear combinations, but these terms can be shown to be larger than zero, thus increasing the fluctuations Duan _et al._ (2003). ## III. Normal modes First, in this section, we are going to show how to diagonalize the effective model in the dissipation-free case. The diagonalization of the matrix $\boldsymbol{A}$ through an orthogonal transformation, $\boldsymbol{A}=\boldsymbol{U}^{T}\boldsymbol{D}\boldsymbol{U}$, allows us to define new canonical variables $X_{k}=\sum_{i}u_{k,i}x_{i},\;P_{k}=\sum_{i}u_{k,i}p_{i}.$ (29) In these new quadratures, the Hamiltonian becomes $H=\sum_{k}\frac{1}{2}\omega\left(P_{k}^{2}+\lambda_{k}X_{k}^{2}\right)+\sum_{i}u_{k,i}f_{i}(t),$ (30) where $\lambda_{k}=D_{k,k}$ are the eigenvalues of the quadratic form and we introduce the effective drivings in momentum space, $\tilde{f}_{k}=\sum_{i}u_{k,i}f_{i}$. Note that in absence of driving, the normal frequencies of the problem will be $\omega_{k}=\omega\lambda_{k},$ (31) and the new Fock operators will be related to the original ones by a complicated squeezing transformation $\tilde{a}_{k}=\sum_{i}\left(\lambda_{k}^{1/2}u_{k,i}x_{i}+i\lambda_{k}^{-1/2}u_{k,i}p_{i}\right),$ (32) that is the source of the entanglement of this problem. As a particular instance of the lattice of coupled plasmons we will consider the case of a one-dimensional lattice of regularly spaced nanoparticles, with period $\Lambda$, that corresponds to the 1D open-boundary condition case of $\boldsymbol{A}$. This tridiagonal matrix is diagonalized with the orthogonal transformation $u_{i,k}=u_{k,i}=\sqrt{\frac{2}{N+1}}\sin(k_{j}\Lambda i),\ \ \;i,j=1\ldots N$ (33) where $N$ is the total lattice size and the quasimomenta $k_{j}=\pi j/(N+1)\Lambda$ determine the eigenfrequencies $\lambda_{k}=1+2(g/\omega)\cos(k_{j}\Lambda).$ (34) Notice how for small momenta, when we reach the critical value $g=\omega/2$, we recover a linear dispersion relation of photon-like quasiparticles with diverging correlations. In practice, however, $g$ is below this limit and we obtain a band of massive excitations with a finite correlation length. Now, as the form of (15) is preserved under the transformation (33) we apply the ideas exposed previously to the first and second moments of the canonical variables, obtaining $\displaystyle\partial_{t}\langle X_{k}\rangle$ $\displaystyle=\omega\langle P_{k}\rangle-\frac{\gamma}{2}\langle X_{k}\rangle$ (35) $\displaystyle\partial_{t}\langle P_{k}\rangle$ $\displaystyle=-\omega\lambda_{k}\langle X_{k}\rangle-\frac{\gamma}{2}\langle P_{k}\rangle-\tilde{f}_{k}(t).$ For the second moments, taking $f=0$ to simplify the expressions, we get the following closed set $\displaystyle\partial_{t}\langle X_{k}^{2}\rangle$ $\displaystyle\\!=\omega\langle X_{k}P_{k}+P_{k}X_{k}\rangle-\gamma\langle X_{k}^{2}\rangle+\frac{\gamma}{2}$ (36) $\displaystyle\partial_{t}\langle P_{k}^{2}\rangle$ $\displaystyle\\!=\\!-\omega\lambda_{k}\langle X_{k}P_{k}\\!+\\!P_{k}X_{k}\rangle-\gamma\langle P_{k}^{2}\rangle+\frac{\gamma}{2}$ (37) $\displaystyle\partial_{t}\langle X_{k}P_{k}\rangle$ $\displaystyle\\!=\\!-\omega\lambda_{k}\langle X_{k}^{2}\rangle+\omega\langle P_{k}^{2}\rangle\\!-\\!\frac{\gamma}{2}\langle\\!X_{k}P_{k}\\!+\\!P_{k}X_{k}\rangle$ (38) $\displaystyle\partial_{t}\langle P_{k}X_{k}\rangle$ $\displaystyle\\!=\partial_{t}\langle X_{k}P_{k}\rangle.$ (39) In this case, its steady-state solution allows us to compute the fluctuations needed when computing the proposed entanglement witness $W_{k}:=\mathrm{min}\\{0,\langle\Delta{X_{k}}^{2}\rangle+\langle\Delta{P}_{(\pi/\Lambda)-k}^{2}\rangle-1\\}$ (40) given $(\Delta O)^{2}=\langle O^{\dagger}O\rangle-\langle O^{\dagger}\rangle\langle O\rangle$. In the case of infinite chain length $N\gg 1$, if we compute this quantity between the extrema of the band we arrive to $W_{0}=1+\frac{\frac{2g}{\omega}(\frac{2g}{\omega}-1)}{\frac{\gamma^{2}}{\omega^{2}}+4(1-\frac{2g}{\omega})}-\frac{\frac{2g}{\omega}}{\frac{\gamma^{2}}{\omega^{2}}+4(1+\frac{2g}{\omega})}.$ (41)
arxiv-papers
2014-02-28T10:30:30
2024-09-04T02:49:59.100042
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Javier del Pino, Johannes Feist, F.J. Garc\\'ia-Vidal and Juan Jose\n Garc\\'ia-Ripoll", "submitter": "Javier Del Pino", "url": "https://arxiv.org/abs/1402.7187" }
1402.7269
# Tauberian Theorem of Laplace Transformation And Application of Prime Number Theorem Lahoucine Elaissaoui [email protected] [email protected] ###### Résumé Dans cet article je donnerai une nouvelle démonstration courte et directe pour le Théorème des Nombres Premiers. C’est vrai que ce théorème a été complétement démontré au début du 20ème siecle mais la démonstration était basé sur des résultats élémentaires (théorème de Chebyshev) et aussi analytiques compliqués (théorème de Ikehrara), mais ici j’ai pas utilisé le théorème de Chebyshev ainsi que j’ai remplacé et j’ai généralisé le théorème de Ikehara grâce à la notion des fonctions à variation bornée qui est ancienne mais récent dans la théorie analytique des nombres. ## 1 Préliminaires ### 1.1 Les fonctions à variation bornée Les fonctions à variation bornée joue un rôle très important dans la théorie de l’intégration au sens de Stieltjes, ici on va s’interésser à les fonctions à variation bornée sur $\mathbb{R}^{+}$ à valeurs complexes. Soit $x$ un réel positif et soit $(x_{k})_{k=0,\cdots,n}$ une suite finie et strictement croissante des réels de l’intervalle $[0,x]$ tels que $0=x_{0}<x_{1}<x_{2}<\cdots<x_{n}=x$ est une subdivision de l’intervalle $[0,x]$, on note $\Sigma$ pour cette subdivion et $\mathcal{S}([0,x])$ l’ensemble de toutes les subdivions possibles de $[0,x]$. La fonction variation totale d’une fonction complexe définie sur $\mathbb{R}^{+}$, notée $T_{f}$, est la fonction définie par $T_{f}(x):=\sup_{\Sigma\in\mathcal{S}([0,x])}\sum_{k=1}^{n}|f(x_{k})-f(x_{k-1})|$ (1) Il est bien clair que la fonction $T_{f}$ est une fonction croissante sur $\mathbb{R}^{+}$, par conséquent si $T_{f}$ est majorée sur $\mathbb{R}^{+}$ alors on dira que $f$ est à variation bornée sur $\mathbb{R}^{+}$ et on note $V(f)=\lim_{x\to+\infty}T_{f}(x)\in\mathbb{R}^{+}$ pour la variation totale de la fonction $f$. ###### Propriétés 1.1. * • Toute fonction $g$ de classe $\mathcal{C}^{1}$ sur $\mathbb{R}^{+}$ à valeurs complexes telle que $g^{\prime}\in L^{1}(\mathbb{R}^{+})$ est à variation bornée, en effet, pour une subdivision $\Sigma:0=x_{0}<x_{1}<\cdots<x_{n}=x$ et puisque $g$ est continue sur chaque intervalle $[x_{i-1},x_{i}]$ (pour $i=1,\cdots n$) et dérivable sur leurs interieurs topologique alors d’après le théorème des accroissements finis il existe des $c_{i}$ dans $]x_{i-1},x_{i}[$ tels que $|g(x_{i})-g(x_{i-1})|=|g^{\prime}(c_{i})||x_{i}-x_{i-1}|$ D’où $T_{g}(x)=\sup_{\Sigma\in\mathcal{S}([0,x])}\sum_{k=1}^{n}|g^{\prime}(c_{i})||x_{i}-x_{i-1}|$ Or cette somme est une somme de Darboux ce qu’on peut déduire grâce à l’intégrale de Riemann que $T_{g}(x)=\int_{0}^{x}|g^{\prime}(t)|dt$ Donc $V(g)=\int_{0}^{+\infty}|g^{\prime}(t)|dt$ qui est finie puisque $g^{\prime}\in L^{1}(\mathbb{R}^{+})$, alors $g$ est à variation bornée sur $\mathbb{R}^{+}$. * • toute fonction à variation bornée sur $\mathbb{R}^{+}$ est bornée sur $\mathbb{R}^{+}$, en effet, soit $f$ une fonction à variation bornée sur $\mathbb{R}^{+}$ alors pour un $x\geq 0$ $\displaystyle|f(x)-f(0)|$ $\displaystyle=\left|\sum_{k=1}^{n}f(x_{i})-f(x_{i-1})\right|$ $\displaystyle\leq\sum_{k=1}^{n}|f(x_{i})-f(x_{i-1})|$ $\displaystyle\leq T_{f}(x)$ $\displaystyle\leq V(f)<+\infty$ Alors $f$ est bornée sur $\mathbb{R}^{+}$. On dit qu’une fonction $f$ définie de $\mathbb{R}^{+}$ à valeurs complexes admet une limite à gauche en $x\in\mathbb{R}^{+}$, notée $f(x^{-})$ si à tout $\varepsilon>0$ on peut associer un $0\leq\delta<x$ tel que $a<t<x\Longrightarrow|f(t)-f(x^{-})|<\varepsilon$ Et en plus si $f(x^{-})=f(x)$ on dit que $f$ est continue à gauche en $x$. On note pour $\mathcal{V}_{b}\mathcal{C}_{g}$ la classe des fonctions, définies de $\mathbb{R}^{+}$ à valeurs complexes, à variation bornée, continues à gauche en tout point de $\mathbb{R}^{+}$ et qui s’annullent en $0$. ### 1.2 Intégrale de Lebesgue-Stieltjes Le théorème 8.14 page 156 du livre [Rud] a établi le lien entre la théorie de la mesure et la théorie des fonctions à variation bornée. Donc d’après le même théorème, soit $f\in\mathcal{V}_{b}\mathcal{C}_{g}$ alors il existe une unique mesure complexe de Borel $\mu_{f}$ telle que $f(x)=\mu_{f}([0,x[),\qquad\forall x\geq 0$ (2) Et en plus pour tout $x\in\mathbb{R}^{+}$ on a $T_{f}(x)=|\mu_{f}|([0,x[)$ (3) Où $|\mu_{f}|$ est une mesure positive de Borel, dite la variation totale de la mesure complexe $\mu_{f}$, qui est finie d’après le théorème 6.4 page 114 de [2]. ###### Remarque 1.1. * • On peut facilement montrer que $|\mu_{f}|$ est finie autant que $f\in\mathcal{V}_{b}\mathcal{C}_{g}$, en effet, soit $f\in\mathcal{V}_{b}\mathcal{C}_{g}$ alors $\displaystyle|\mu_{f}|(\mathbb{R}^{+})$ $\displaystyle=\lim_{x\to+\infty}|\mu_{f}|([0,x[)$ $\displaystyle=\lim_{x\to+\infty}T_{f}(x)$ $\displaystyle=V(f)<+\infty$ * • D’une autre part, si $f$ est à valeurs dans $\mathbb{R}$ alors $\mu_{f}$ est dite une mesure signée alors de la même manière on démontre que cette mesure est finie. * • Soit $f\in\mathcal{V}_{b}\mathcal{C}_{g}$, si $y>x$ alors $\displaystyle f(y)-f(x)$ $\displaystyle=\mu_{f}([0,y[)-\mu_{f}([0,x[)$ $\displaystyle=\mu_{f}([x,y[)$ Donc $\mu_{f}(\\{x\\})=f(x^{+})-f(x)$ D’où $f$ est continue en $x$ si et seulement si $\mu_{f}(\\{x\\})=0$ Le théorème de Radon-Nikodym, voir le théorème 6.12 page 120 de [2], assure que pour toute mesure complexe $\mu$ il existe une fonction mesurable complexe $h$ de module égal à $1$ telle que $d\mu=hd|\mu|.$ Ainsi, on déduit que pour toute fonction $g:\mathbb{R}^{+}\longrightarrow\mathbb{C}$ mesurable et bornée sur $\mathbb{R}^{+}$ on a $g\in L_{\mu_{f}}^{1}(\mathbb{R}^{+})$ où $f\in\mathcal{V}_{b}\mathcal{C}_{g}$. En effet: $\displaystyle\left|\int_{\mathbb{R}^{+}}gd\mu_{f}\right|$ $\displaystyle\leq\int_{\mathbb{R}^{+}}|g|d|\mu_{f}|$ $\displaystyle\leq\|g\|_{\infty}|\mu_{f}|(\mathbb{R}^{+})$ $\displaystyle<+\infty$ Où $\|g\|_{\infty}=\sup_{x\in\mathbb{R}^{+}}|g(x)|.$ Maintenant, d’après le théorème 6.1.4 du livre [1] on constate que pour $f\in\mathcal{V}_{b}\mathcal{C}_{g}$ on a $\int_{0}^{x}df(t)=\mu_{f}([0,x[),\qquad x\geq 0$ (4) Soient donc $f\in\mathcal{V}_{b}\mathcal{C}_{g}$ et $g:\mathbb{R}^{+}\longrightarrow\mathbb{C}$ une fonction de classe $\mathcal{C}^{1}$ sur $\mathbb{R}^{+}$ telle que $g^{\prime}\in L^{1}(\mathbb{R}^{+})$, alors d’après le théorème 6.2.2 (grâce au résultat 4) du même livre on démontre que $\int_{0}^{+\infty}g(t)df(t)=\mu_{fg}(\mathbb{R}^{+})-\int_{0}^{+\infty}f(t)g^{\prime}(t)dt$ (5) la mesure complexe $\mu_{fg}$ a bien un sens, en effet d’après les propriétés 1.1 on démontre que $g$ est à variation bornée or le produit de deux éléments de $\mathcal{V}_{b}\mathcal{C}_{g}$ est un élément de $\mathcal{V}_{b}\mathcal{C}_{g}$ alors $fg\in\mathcal{V}_{b}\mathcal{C}_{g}$ (car $fg$ est à variation bornée et continue à gauche à chaque point de $\mathbb{R}^{+}$ et $(fg)(0)=0$), et en plus $\mu_{fg}([0,x[)=f(x)g(x),\qquad\forall x\in\mathbb{R}^{+}$ Et $|\mu_{fg}(\mathbb{R}^{+})|\leq|\mu_{fg}|(\mathbb{R}^{+})=\lim_{x\to+\infty}T_{fg}(x)<+\infty$ ## 2 Théorème Tauberien de la transformation de Laplace complexe Dans tout ce qui suit $s=\sigma+it$ où $\sigma,t\in\mathbb{R}$ est un nombre complexe et $\rho$ est une fonction de la classe $\mathcal{V}_{b}\mathcal{C}_{g}^{*}:=\\{f\in\mathcal{V}_{b}\mathcal{C}_{g},\quad\ \Im(f)=0\\}$. Ainsi $\mathbb{C}_{*}^{+}$ est l’ensemble des nombres complexes de partie réelle strictement positive. On définit la transformation de Laplace-Stieltjes de la fonction $\rho$ par $\mathcal{L}_{\rho}^{*}(s)=\int_{0}^{+\infty}e^{-sx}d\rho(x),\qquad\sigma>0$ il est bien clair d’après ce qui précéde, puisque $x\mapsto e^{-sx}$ est continue et bornée sur $\mathbb{R}^{+}$ pour tout $\sigma>0$, que la fonction $\mathcal{L}_{\rho}^{*}$ est bien définie. ###### Lemme 2.1. Soit $\rho\in\mathcal{V}_{b}\mathcal{C}_{g}^{*}$ alors $\lim_{s\to 0^{+}}\mathcal{L}_{\rho}^{*}(s)=\lim_{+\infty}\rho.$ preuve: On pose pour tout $(x,s)\in\mathbb{R}^{+}\times\mathbb{C}_{+}^{*}$ $\phi(x,s)=e^{-sx}$ Alors on a * • Pour tout $x\geq 0$ la fonction $s\mapsto\phi(x,s)$ est continue en $0^{+}$. * • Pour tout $\sigma>0$ la fonction $x\mapsto\phi(x,s)$ est continue donc mésurable sur $\mathbb{R}^{+}$. * • Pour tout $\sigma>0$ et pour $d\rho$-presque tout $x\in\mathbb{R}^{+}$ on a $|\phi(x,s)|\leq 1$ Où $1\in L_{d\rho}^{1}(\mathbb{R}^{+})$ car $\int_{\mathbb{R}^{+}}d\rho(x)=\mu_{\rho}(\mathbb{R}^{+})<+\infty$ Alors la fonction $x\mapsto\phi(x,s)$ est $d\rho$-intégrable sur $\mathbb{R}^{+}$ et la fonction $\mathcal{L}_{\rho}^{*}$ est est continue en $0^{+}$. Donc $\displaystyle\lim_{s\to 0^{+}}\mathcal{L}_{\rho}^{*}(s)$ $\displaystyle=\mathcal{L}_{\rho}^{*}(0)$ $\displaystyle=\int_{\mathbb{R}^{+}}d\rho(x)$ $\displaystyle=\lim_{x\to+\infty}\mu_{\rho}([0,x[)\qquad\text{d'apr\\`{e}s \ref{e4}}$ $\displaystyle=\lim_{+\infty}\rho\qquad\qquad\qquad\quad\\!\\!\text{d'apr\\`{e}s \ref{e2}}$ $\blacksquare$ Maintenant on définit la transformation de Laplace complexe d’une fonction $\rho\in\mathcal{V}_{b}\mathcal{C}_{g}^{*}$ par $\mathcal{L}_{\rho}(s)=\int_{0}^{+\infty}\rho(x)e^{-sx}dx,\qquad\sigma>0.$ La fonction $\mathcal{L}_{\rho}$ est bien définie, en effet puisque $\rho\in\mathcal{V}_{b}\mathcal{C}_{g}^{*}$ alors $\rho$ est bornée sur $\mathbb{R}^{+}$ en plus $\left|\int_{0}^{+\infty}\rho(x)e^{-sx}dx\right|\leq\|\rho\|_{\infty}\int_{0}^{+\infty}e^{-\sigma x}dx=\frac{\|\rho\|_{\infty}}{\sigma}<+\infty$ ###### Théorème 2.1. Soit $\rho\in\mathcal{V}_{b}\mathcal{C}_{g}^{*}$, on suppose que $\mathcal{L}_{\rho}$ est holomorphe sur $\\{\sigma>0\\}$ et admet un prolongement analytique sur $\\{\sigma\geq 0\\}$ avec un pôle simple au point $0$. Alors on a $\lim_{+\infty}\rho=Res(\mathcal{L}_{\rho},0).$ Preuve: Soit $s\in\mathbb{C}_{+}^{*}$, d’après l’équation 5 on a $\mathcal{L}_{\rho}^{*}(s)=\mu_{\rho e^{-s\cdot}}(\mathbb{R}^{+})+s\int_{0}^{+\infty}\rho(x)e^{-sx}dx$ Or $|\mu_{\rho e^{-s\cdot}}(\mathbb{R}^{+})|=|\mu_{\rho}(\mathbb{R}^{+})|\lim_{x\to+\infty}e^{-\sigma x}=0$ Donc $\mathcal{L}_{\rho}^{*}(s)=s\mathcal{L}_{\rho}(s)$ Passons à la limite $s\to 0^{+}$ on a d’après le Lemme 3.1 $\lim_{x\to+\infty}\rho(x)=Res(\mathcal{L}_{\rho},0)$ $\blacksquare$ D’une manière générale, soit $\alpha$ un réel positif alors il est clair, d’après ce qui précéde, que pour tout $\rho\in\mathcal{V}_{b}\mathcal{C}_{g}^{*}$ on a $\varrho(x)=\rho(x)e^{-\alpha x}$ est un élément de $\mathcal{V}_{b}\mathcal{C}_{g}^{*}$. Ainsi on déduit le résultat suivant: ###### Corollaire 2.1. Soient $\alpha\in\mathbb{R}^{+}$ et $\rho\in\mathcal{V}_{b}\mathcal{C}_{g}^{*}$. On suppose que la fonction $\mathcal{L}_{\rho}$ est holomorphe sur $\\{\sigma>\alpha\\}$ et admet un prolongement analytique sur $\\{\sigma\geq\alpha\\}$ avec un seul pôle simple en $s=\alpha$ alors on a $\rho(x)\underset{x\to+\infty}{\sim}Res(\mathcal{L}_{\rho},\alpha)e^{\alpha x}.$ preuve: Soit $\sigma>\alpha$, alors $\mathcal{L}_{\rho}(s)=\int_{0}^{+\infty}\rho(x)e^{-sx}dx=\int_{0}^{+\infty}\rho(x)e^{-\alpha x}e^{-(s-\alpha)x}dx$ On pose $\varrho(x)=\rho(x)e^{-\alpha x},\qquad\forall x\geq 0.$ Alors $\mathcal{L}_{\rho}(s)=\int_{0}^{+\infty}\varrho(x)e^{-(s-\alpha)x}dx=\mathcal{L}_{\varrho}(s-\alpha)$ Donc $(s-\alpha)\mathcal{L}_{\rho}(s)=(s-\alpha)\mathcal{L}_{\varrho}(s-\alpha)=z\mathcal{L}_{\varrho}(z)$ D’où quand $s\to\alpha$ on aura $z\to 0$ et d’après le Théorème 2.1 on a $\lim_{x\to+\infty}\varrho(x)=Res(\mathcal{L}_{\varrho}(z),z=0)=Res(\mathcal{L}_{\rho},\alpha)$ Alors $\rho(x)\underset{x\to+\infty}{\sim}Res(\mathcal{L}_{\rho},\alpha)e^{\alpha x}.$ $\blacksquare$ ## 3 Théorème des Nombres Premiers (nouvelle démonstration) Soit $\chi:\mathbb{N}^{*}\longrightarrow\mathbb{R}^{+}$ une fonction arithmétique positive, on pose pour tout $x\in(1,+\infty)$ $f(x)=\sum_{1\leq n<x}\chi(n)\qquad\text{et}\qquad f(1)=0.$ Il est clair que la fonction $f$ est croissante sur $[1,+\infty)$ et continue à gauche en tout point de $[1,+\infty)$. Ainsi, les points de discontinuité de $f$ sont des éléments de $\mathbb{N}^{*}$. Si $f$ est continue en $x\in\mathbb{N}^{*}$ alors on aura $f(x^{+})=f(x)$ Donc $\displaystyle 0$ $\displaystyle=f(x^{+})-f(x)$ $\displaystyle=\sum_{x\leq n<x^{+}}\chi(n)$ $\displaystyle=\chi(x)$ Alors $f\ \text{est \ continue \ en }\ x\in\mathbb{N}^{*}\Longleftrightarrow\chi(x)=0$ (6) Soit maintenant $(a_{k})_{k\in\mathbb{N}}$ une suite croissante des points de discontinuité de la fonction $f$ sur $[1,+\infty)$ alors $f$ est constante sur chaque intervalle $I_{k}=(a_{k-1},a_{k}]$ (où $k\in\mathbb{N}^{*}$). En effet, soit $k\in\mathbb{N}^{*}$ s’il existe $n\in I_{k}$ tel que $f$ est continue en $n$ alors d’après 6 $\chi(n)=0$ ainsi et d’une manière générale soit $(\beta_{i})_{i\in\mathbb{N}^{*}}$ une suite strictement croissante des entiers de $\overset{\circ}{I_{k}}$ (l’interieur de $I_{k}$), alors $f$ est continue en chaque $\beta_{i}$ d’où $\chi(\beta_{i})=0$ pour tout $i=1,2,\cdots$ et en conséquent pour tout $x\in(a_{k-1},a_{k}]$ on a $f(x)=f(a_{k-1}^{+})$ ($k\in\mathbb{N}^{*}$). Soient $\alpha>1$ un réel et $\rho$ la fonction définie sur $\mathbb{R}^{+}$ par $\rho(x)=f\left(e^{x}\right)e^{-\alpha x}.$ Soit $k$ un entier strictement positif on note $(\lambda_{k})_{k\in\mathbb{N}}$ pour la suite croissante des points de discontinuité de la fonction $\rho$ sur $\mathbb{R}^{+}$ ($\lambda_{k}=\log a_{k}\in\log\mathbb{N}^{*}$). Alors la fonction $\rho$ est décroissante sur chaque intervalle $J_{k}=(\lambda_{k-1},\lambda_{k}]$, en effet: soient $x,y\in J_{k}$ tels que $x>y$, donc puisque $f$ est constante ($\equiv c_{k}$) sur $J_{k}$ alors $\rho(x)-\rho(y)=c_{k}\left(e^{-\alpha x}-e^{-\alpha y}\right)<0$ d’où $\rho$ est strictement décroissante sur $J_{k}$ pour tout $k\in\mathbb{N}^{*}$. D’une autre part, pour tout $k\in\mathbb{N}^{*}$ $\rho(\lambda_{k}^{+})>\rho(\lambda_{k}).$ En effet, puisque la fonction $x\mapsto e^{-\alpha x}$ est continue sur $\mathbb{R}^{+}$ alors $e^{-\alpha\lambda_{k}^{+}}=e^{-\alpha\lambda_{k}}$ donc $\rho(\lambda_{k}^{+})-\rho(\lambda_{k})=(f(a_{k}^{+})-f(a_{k}))e^{-\alpha\lambda_{k}}$ et puisque $f$ est discontinue en $a_{k}$ et croissante sur $[1,+\infty)$ alors $f(a_{k}^{+})>f(a_{k})$. D’où $\rho(\lambda_{k}^{+})>\rho(\lambda_{k}).$ ###### Lemme 3.1. Soit $\alpha>1$ alors $\sum_{n\geq 1}\frac{\chi(n)}{n^{\alpha}}<+\infty\Longrightarrow\rho\in\mathcal{V}_{b}\mathcal{C}_{g}^{*}$ preuve: Soit $x\in\mathbb{R}^{+}$, on pose $0=x_{0}<x_{1}<\cdots<x_{n}=x$ une subdivision de l’intervalle $[0,x]$ et on note pour $m$ le plus grand entier naturel non nul tel que $\lambda_{m-1}<x\leq\lambda_{m}$ où les $(\lambda_{k})_{k\in\mathbb{N}}$ sont les points de discontinuité de la fonction $\rho$ définis précédamment, alors $\sum_{i=1}^{n}|\rho(x_{i})-\rho(x_{i-1})|=\sum_{k=0}^{m}\sum_{\underset{x_{i}\in J_{k}}{i=1}}^{n}|\rho(x_{i})-\rho(x_{i-1})|$ où $(J_{k})_{k\in\mathbb{N}^{*}}$ sont les intervalles $(\lambda_{k-1},\lambda_{k}]$ et $J_{0}=[0,\lambda_{0}]$, et on note bien que $\displaystyle\cup_{k=0}^{m}J_{k}=[0,\lambda_{m}]$ donc puisque $\rho$ est strictement décroissante sur chaque $J_{k}$ alors $\displaystyle\sum_{k=0}^{m}\sum_{\underset{x_{i}\in J_{k}}{i=1}}^{n}|\rho(x_{i})-\rho(x_{i-1})|$ $\displaystyle\leq\rho(0)-\rho(\lambda_{0})+\sum_{k=1}^{m}\left(\rho(\lambda_{k-1}^{+})-\rho(\lambda_{k})\right)-(\rho(x)-\rho(\lambda_{m}))$ $\displaystyle=-\rho(\lambda_{0})+\rho(\lambda_{0}^{+})-\rho(\lambda_{1})+\rho(\lambda_{1}^{+})+\cdots-\rho(\lambda_{m})-\rho(x)+\rho(\lambda_{m})$ $\displaystyle=-\rho(x)+\sum_{k=0}^{m-1}\left(\rho(\lambda_{k}^{+})-\rho(\lambda_{k})\right)$ $\displaystyle=-\rho(x)+\sum_{k=0}^{m-1}\frac{f(a_{k}^{+})-f(a_{k})}{a_{k}^{\alpha}}$ $\displaystyle=-\rho(x)+\sum_{k=0}^{m-1}\frac{\chi(a_{k})}{a_{k}^{\alpha}}$ Où les $(a_{k})_{k\in\mathbb{N}}$ sont les points de discontinuité de la fonction $f$ et qui sont des éléments de $\mathbb{N}^{*}$. Donc $\sum_{k=0}^{m-1}\frac{\chi(a_{k})}{a_{k}^{\alpha}}\leq\sum_{1\leq\ell<e^{x}}\frac{\chi(\ell)}{\ell^{\alpha}}$ D’où $\sum_{i=1}^{n}|\rho(x_{i})-\rho(x_{i-1})|\leq-\rho(x)+\sum_{1\leq\ell<e^{x}}\frac{\chi(\ell)}{\ell^{\alpha}}.$ Alors $T_{\rho}(x)\leq-\rho(x)+\sum_{1\leq\ell<e^{x}}\frac{\chi(\ell)}{\ell^{\alpha}}.$ Or puisque $\rho$ est une fonction positive alors $T_{\rho}(x)\leq\sum_{1\leq\ell<e^{x}}\frac{\chi(\ell)}{\ell^{\alpha}}.$ Donc $\text{la s\'{e}rie}\ \sum_{n\geq 1}\frac{\chi(n)}{n^{\alpha}}\ \text{converge}\ \Longrightarrow\rho\in\mathcal{V}_{b}\mathcal{C}_{g}^{*}.$ $\blacksquare$ Sans perte de généralité le résultat est vrai pour toute fonction arithmétique $\chi:\mathbb{N}^{*}\longrightarrow\mathbb{R}$ croissante. Dans ce cas, le Lemme 3.1 peut être reformulé: $\text{la s\'{e}rie}\ \sum_{n\geq 1}\frac{\chi(n)}{n^{\alpha}}\ \text{est absolument convergente}\Longrightarrow\rho\in\mathcal{V}_{b}\mathcal{C}_{g}^{*}.$ où $\alpha>1$. Maintenant on arrive au résultat le plus important dans cette section: ###### Théorème 3.1. Soit $\chi:\mathbb{N}^{*}\longrightarrow\mathbb{R}^{+}$ une fonction arithmétique et soit $\alpha>1$ le plus petit réel tel que la série $\displaystyle\sum_{n\geq 1}\frac{\chi(n)}{n^{\alpha}}$ soit convergente. On pose $\displaystyle f(x)=\sum_{1\leq n<x}\chi(n)$ pour tout $x\geq 1$ où $f(1)=0$ et on suppose que $\mathcal{L}_{\rho}$ est holomorphe sur le demi- plan complexe $\\{\sigma\geq\beta\\}$ sauf au seul pôle simple en $s=\beta\geq 0$ alors on a $f(x)\underset{x\to+\infty}{\sim}Res(\mathcal{L}_{\rho},\beta)x^{\alpha+\beta}.$ Où $\rho(x)=f(e^{x})e^{-\alpha x}$ pour tout $x\in\mathbb{R}^{+}$. Preuve: Soit $\alpha>1$ un réel tel que la série du terme générale $\frac{\chi(n)}{n^{\alpha}}$ est convergente alors, d’après le Lemme 3.1, la fonction $\rho(x)=f(e^{x})e^{-\alpha x}$ est un élément de $\mathcal{V}_{b}\mathcal{C}_{g}^{*}$. Or d’après le Corollaire 2.1 on déduit que $\rho(x)\underset{x\to+\infty}{\sim}Res(\mathcal{L}_{\rho},\beta)e^{\beta x}.$ Ce qui est $f(e^{x})\underset{x\to+\infty}{\sim}Res(\mathcal{L}_{\rho},\beta)e^{(\alpha+\beta)x}.$ D’où $f(x)\underset{x\to+\infty}{\sim}Res(\mathcal{L}_{\rho},\beta)x^{\alpha+\beta}.$ Ce qu’il fallait démontrer. $\blacksquare$ On rappelle que la fonction $\Lambda$ de Von Mangoldt est une fonction arithmétique définie sur $\mathbb{N}^{*}$ par $\Lambda(n):=\begin{cases}\log p\quad\text{si}\ n=p^{k},\quad k\in\mathbb{N}^{*},p\in\mathcal{P}\\\ \\\ \quad 0\qquad\text{sinon}\end{cases}.$ La fonction définie pour tout $x\in[1,+\infty)$ tel que $x\neq p^{k}$ où $k\in\mathbb{N}^{*}$ et $p\in\mathcal{P}$ par $\displaystyle\psi(x)=\sum_{n<x}\Lambda(n)$ est dite la fonction de Chebyshev, ainsi pour démontrer le théorème des nombres premiers il faut et il suffit de démontrer que $\psi(x)\underset{x\to+\infty}{\sim}x.$ Il existe une forte relation entre la fonction $\zeta$ de Riemann et la fonction $\psi$, en effet $-\frac{\zeta^{\prime}(s)}{\zeta(s)}=\sum_{n\geq 1}\frac{\Lambda(n)}{n^{s}}=s\int_{0}^{+\infty}\psi(e^{x})e^{-sx}dx,\qquad\forall\sigma>1.$ On rappelle aussi que la fonction $\zeta$ est holomorphe sur $\\{\sigma\geq 1\\}$ sauf au $s=1$ qui est le seul pôle simple de la fonction $\zeta$, ainsi d’après Hadamard et De La Vallée Poussin la fonction $\zeta$ ne s’annulle en aucun point du demi-plan $\\{\sigma\geq 1\\}$. Alors on déduit que la fonction $-\frac{\zeta^{\prime}}{\zeta}$ est holomorphe sur $\\{\sigma\geq 1\\}$ sauf au point $s=1$ qui est le seul pôle simple de résidu égal à $1$. Et on a le Théorème des Nombres Premiers: ###### Corollaire 3.1. $\psi(x)\underset{x\to+\infty}{\sim}x.$ preuve: Soit $\alpha>1$ un réel donné, on pose $\rho(x)=\psi(e^{x})e^{-\alpha x},\qquad\forall x\in\mathbb{R}^{+}.$ Alors puisque la fonction $-\frac{\zeta^{\prime}}{\zeta}$ est holomorphe sur $\\{\sigma>1\\}$ alors la série su terme général $\frac{\Lambda(n)}{n^{\alpha}}$ est convergente pour tout $\alpha>1$. D’une autre part, soit $\sigma>1$ alors $\displaystyle\mathcal{L}_{\rho}(s)$ $\displaystyle=\int_{0}^{+\infty}\rho(x)e^{-sx}dx$ $\displaystyle=\int_{0}^{+\infty}\psi(e^{x})e^{-\alpha x}e^{-sx}dx$ $\displaystyle=\int_{0}^{+\infty}\psi(e^{x})e^{-(s+\alpha)x}dx$ $\displaystyle=-\frac{\zeta^{\prime}(s+\alpha)}{(s+\alpha)\zeta(s+\alpha)}$ Alors puisque la fonction $s\mapsto-\frac{\zeta^{\prime}(s+\alpha)}{(s+\alpha)\zeta(s+\alpha)}$ est holomorphe sur $\\{\sigma\geq 1-\alpha\\}$ sauf au point $s=1-\alpha$ qui est le seul pôle simple de cette fonction où $Res\left(-\frac{\zeta^{\prime}(s+\alpha)}{(s+\alpha)\zeta(s+\alpha)},1-\alpha\right)=1$ Alors d’après le Théorème 3.1 on a $\psi(x)\underset{x\to+\infty}{\sim}x^{\alpha+1-\alpha}$ C’est à dire $\psi(x)\underset{x\to+\infty}{\sim}x.$ Ce qu’il fallait démontrer. $\blacksquare$ ## References * [1] M.Carter et B. Van Brunt, The Lebesgue-Stieltjes Integral a practical introduction, Springer (2000). * [2] E.C. Titchmarsh, _The Theory of The Riemann Zeta-Function_ 2nd ed, revised by D. R. Heath-Brown, Oxford University Press (1986). * [3] Walter Rudin, _Analyse réelle et complexe_ , Troisième tirage MASSON Paris New York Barcelone Milan 1980.
arxiv-papers
2014-02-28T15:04:04
2024-09-04T02:49:59.110269
{ "license": "Public Domain", "authors": "Lahoucine Elaissaoui", "submitter": "Lahoucine Elaissaoui", "url": "https://arxiv.org/abs/1402.7269" }
1403.0097
# Dynamics and control of fast ion crystal splitting in segmented Paul traps H. Kaufmann1, T. Ruster1, C. T. Schmiegelow1, F. Schmidt-Kaler1, U. G. Poschinger1 1QUANTUM, Institut für Physik, Universität Mainz, D-55128 Mainz, Germany [email protected] ###### Abstract We theoretically investigate the process of splitting two-ion crystals in segmented Paul traps, i.e. the structural transition from two ions confined in a common well to ions confined in separate wells. The precise control of this process by application of suitable voltage ramps to the trap segments is non- trivial, as the harmonic confinement transiently vanishes during the process. This makes the ions strongly susceptible to background electric field noise, and to static offset fields in the direction of the trap axis. We analyze the reasons why large energy transfers can occur, which are impulsive acceleration, the presence of residual background fields and enhanced anomalous heating. For the impulsive acceleration, we identify the diabatic and adiabatic regimes, which are characterized by different scaling behavior of the energy transfer with respect to time. We propose a suitable control scheme based on experimentally accessible parameters. Simulations are used to verify both the high sensitivity of the splitting result and the performance of our control scheme. Finally, we analyze the impact of trap geometry parameters on the crystal splitting process. ###### Contents 1. 1 Introduction 2. 2 Prerequisites 1. 2.1 Electrostatic trap potentials 2. 2.2 Equilibrium positions 3. 2.3 Critical tilt value 3. 3 Intricacies of crystal splitting 1. 3.1 Impulsive acceleration at the critical point 2. 3.2 Uncompensated potential tilt 3. 3.3 Anomalous heating at the critical point 4. 4 Voltage ramps 1. 4.1 Static voltage sets 2. 4.2 Time domain ramps 5. 5 Simulation results 1. 5.1 Dependence on splitting time 2. 5.2 Sensitivity analysis 3. 5.3 Dependence on the limiting voltage 6. 6 Trap geometry optimization 7. 7 Conclusion ## 1 Introduction Linear crystals of ions trapped in linear Paul traps have allowed for ground- breaking experiments in the fields of quantum computation, quantum simulation and precision measurements [1]. Segmented, micro-structured Paul trap arrays have been proposed as a future hardware platform for scalable quantum information experiments [2]. Small groups of ions are trapped separately from each other, such that precise manipulation of the qubits can be accomplished. Experimental protocols then require ion shuttling operations, in addition to laser- or microwave-driven logic gates. Essential shuttling operations are splitting and merging of linear ion crystals. It is important that they are fast on the typical timescale for quantum gates of 10-100$\mu$s, and in order to allow for gate operations or readout after the splitting, a low energy transfer is required. Shuttling of trapped ions in segmented traps has been realized within a few oscillation cycles of the harmonic trap by time- dependent control of the trap voltages [3, 4], at energy transfers below one motional quantum. Crystal splitting in a segmented trap was first demonstrated in Ref. [5], at energy transfers of about 140 phonons within a splitting time of 10 ms. With optimizations, splitting has been included to the set of methods for quantum computing, e.g. for quantum teleportation [6] and entanglement purification [7]. Currently, the best reported result is a gain of about two vibrational quanta per ion at a time duration of 55 $\mu$s [4]. The experimental challenge for the control of this process is given by the fact that the harmonic part of the electrostatic trap potential has to change its sign during this process and therefore has to cross zero. This situation of weak confinement reduces the attainable speed and potentially increases the final motional excitation. In order to make the process more robust and faster, it is desirable to achieve a large quartic component of the axial trapping potential. Trap geometries tailored to improve splitting performance were investigated in [8]. Optimized geometry parameters for surface electrodes traps were derived in Ref. [9]. In Ref. [10], robust splitting operations on slow timescales were carried out by means of real-time observation of the ion positions and feedback on the segment voltages. In this work, we analyze the splitting process with the aim of achieving low energy transfers in segmented miniaturized Paul traps. We reduce our analysis to the process of splitting ion crystals, as the process of merging ion crystals is merely the time reversed process. Furthermore, we restrict ourselves to the case of two ions. For splitting and merging processes with several ions, the general procedures and conclusions are still valid. The manuscript is organized as follows: In Sec. 2, we introduce the formalism for describing the electrostatic potentials during the splitting operations and the equilibrium positions of the ions, and we analyze the dependence of the equilibrium positions on the control parameters. In Sec. 3, we give a detailed explanation of the possible reasons for high energy transfers. Based on these considerations, a procedure for the design of suitable voltage ramps is given in Sec. 4. In Sec. 5, we analyze the performance of these ramps by numerical simulations. Finally, in Sec. 6, we compare typical examples for trap geometries and discuss the implication for ion splitting. ## 2 Prerequisites ### 2.1 Electrostatic trap potentials We desire to split a two-ion crystal residing at center segment $C$ along the trap axis $x$, to obtain two ions stored in separated potential wells at the position of the splitting segments $S$ neighboring $C$, see Fig. 1. Figure 1: The process of ion crystal splitting. It is shown schematically how two ions are moved from the initial center segment $C$ to different destination segments $S_{R,L}$ by changing a confining electrostatic potential from a) a strong harmonic confining potential ($\alpha>0$) via b) a predominantly quartic potential ($\alpha\approx 0$) to c) a double-well potential ($\alpha<0$). The external potential is determined by the voltages applied to the respective electrodes. The equilibrium positions are sketched as dashed lines. The outer electrodes $O$ facilitate the splitting process by increasing the transient quartic confinement and offer the possibility to cancel a possible axial background field by application of a differential voltage. The color coding of the segments and the corresponding voltages is used throughout the manuscript. Note that we consider only the spatial dimension along the trap axis, as we assume that tight radial confinement persists throughout the process and the ions are always located on the rf node of the trap. Typical distances between segments range between 50 and 500 $\mu$m, while the initial ion distance is 2-4 $\mu$m. The total external electrostatic potential along the trap axis can be written as $\Phi(x)\approx\beta~{}x^{4}+\alpha~{}x^{2}+\gamma~{}x$ (1) where the coefficients $\alpha,\beta,\gamma$ are given by the the trap geometry and the voltages applied to the trap segments. This Taylor approximation is valid as long as the the ions are located sufficiently close to $x=0$, which is the center of the $C$ segment. Throughout the splitting process, the external potential is changing from a single well potential $\alpha_{i}>0$ to a double well potential $\alpha_{f}<0$, crossing the critical point (CP) at $\alpha=0$. Note that $\beta>0$ is required to guarantee confinement at $\alpha\leq 0$. The approximation of Eq. 1 holds for $\alpha\geq 0$ and for $\alpha\lesssim 0$ as long as the separation of the two potential wells is small compared to the width of segment $C$. When the distance of the ions from the center of the $C$ segment becomes comparable to the width of the segment, anharmonic terms of order $>4$ contribute significantly to the total potential. These are not taken into account here since the outcome of the splitting process is determined around the CP, as will be pointed out in the following sections. Furthermore, beyond the CP, the distance of the separated wells is still increasing monotonically for decreasing $\alpha$ as long as the variation $\beta$ is sufficiently small, and the corresponding trap frequencies in these wells are monotonically increasing. For studies which require precision beyond the CP, the higher order terms can be taken into account numerically. A cubic term does not contribute to the potential if the trap is sufficiently symmetric along the trap axis. Including Coulomb repulsion, the total electrostatic potential of a two-ion crystal at a center-of-mass position $x_{0}$ and distance $d$ is given by $\Phi_{tot}(x_{0},d)=\Phi(x_{0}+d/2)+\Phi(x_{0}-d/2)+\frac{\kappa}{d},$ (2) with $\kappa=e/4\pi\epsilon_{0}$. At the CP, the harmonic confinement vanishes, and a weak residual confinement is maintained by the interplay between Coulomb repulsion and quartic part of the external potential. It is therefore desirable to maximize $\beta$ at the CP. For a given trap geometry, the attainable $\beta$ is limited by the voltage range which can be applied to the trap electrodes 111The maximum voltage is ultimately limited by the electric breakdown threshold. In practice, as precisely controlled time- dependent voltage waveforms are to be applied to the trap segments, the voltage range will be determined by the electrical design, where one faces a trade-off between voltage range and output bandwidth [11, 12].. The coefficients of the potential Eq. 1 are given by the segment bias voltages and the electrostatic properties of the trap: $\displaystyle\alpha$ $\displaystyle=$ $\displaystyle U_{C}~{}\alpha_{C}+U_{S}\alpha_{S}+U_{O}\alpha_{O}$ (3) $\displaystyle\beta$ $\displaystyle=$ $\displaystyle U_{C}~{}\beta_{C}+U_{S}\beta_{S}+U_{O}\beta_{O}$ (4) $\displaystyle\gamma$ $\displaystyle=$ $\displaystyle\Delta U_{S}\gamma_{S}+\Delta U_{O}\gamma_{O}+\gamma^{\prime}$ (5) An offset parameter $\gamma^{\prime}$ is introduced for taking trap non- idealities – leading to a symmetry breaking force along the trap axis – into account, see Sec. 3.2. In contrast to the symmetric quadratic and quartic contributions, the asymmetric tilt potential is controlled by the differential voltages $\Delta U_{S,O}$ between the corresponding left and right electrodes of the respective pair. The segment coefficients are given by Taylor expansions of the standard potentials $\phi_{n}(x)$, which are the dimensionless electrostatic potentials along the trap axis if a +1V bias is applied to segment $n$ and all other segments are grounded [13, 14]: $\phi_{n,m}(x)=\phi_{n}|_{x_{0}^{(m)}}+\phi_{n}^{\prime}|_{x_{0}^{(m)}}\delta x+\frac{1}{2}\phi_{n}^{\prime\prime}|_{x_{0}^{(m)}}\delta x^{2}+\frac{1}{24}\phi_{n}^{(4)}|_{x_{0}^{(m)}}\delta x^{4}+\mathcal{O}\left(\delta x^{6}\right).$ (6) with $\delta x=x-x_{0}^{(m)}$, i.e. the Taylor expansions are carried out at center of segment $m$, $x_{0}^{(m)}$. The coefficients for Eqs. 3,4,5 are obtained for $m=C,n=C,S,O$: $\alpha_{n}=\frac{1}{2}f_{n}\phi_{n,C}^{\prime\prime}(0),\qquad\beta_{n}=\frac{1}{24}f_{n}\phi_{n,C}^{(4)}(0),\qquad\gamma_{n}=f_{n}\phi_{n,C}^{\prime}(0),$ (7) with $f_{C}=1$ and $f_{S,O}=2$ accounting for two $S,O$ segments acting symmetrically at $x=0$. Note that $\gamma_{C}=0$ by definition. In the following, for numerical calculations, we use the specific geometry parameters of a three dimensional microstructured segmented ion trap A as detailed in Sec.6. There, other traps and their geometry parameters are listed and analyzed as well. ### 2.2 Equilibrium positions Figure 2: Ion equilibrium positions near the critical point. a) shows the equilibrium positions versus the harmonic parameter $\alpha$. In the case of a perfectly compensated tilt (blue), the ions separate symmetrically, in the case of a large tilt (red), both ions move towards one side. Panel b) shows a close-up around the critical point for the same tilt parameters. Additionally, the minima of the external potential are shown (dashed). In panel c), we display equilibrium positions and potential minima for tilt parameters slightly below (blue) and above (red) the critical tilt parameter. In contrast to the corresponding curves in b), the equilibrium positions exhibit cusps which lead to strongly enhanced acceleration. We consider two ions of mass $m$ and charge $e$, with their equilibrium positions given by the center-of-mass $x_{0}$ and the equilibrium distance $d$: $x_{L,R}=x_{0}\pm d/2,$ (8) determined by minimizing of the total electrostatic potential Eq. 2. The confinement is characterized by the local trap frequency, which is given by the curvature of of the external potential at the ion positions: $\omega=\sqrt{\frac{e}{m}\Phi^{\prime\prime}(x_{L,R})}.$ (9) The extremal points of the external potential Eq. 1 are given by $\displaystyle x_{0}^{(0)}$ $\displaystyle=$ $\displaystyle\frac{\alpha}{3^{1/3}\zeta}-\frac{\zeta}{2\cdot 3^{2/3}\beta}$ (10) $\displaystyle x_{0}^{(\pm)}$ $\displaystyle=$ $\displaystyle\frac{(i\sqrt{3}\pm 1)\alpha}{2\cdot 3^{1/3}\zeta}+\frac{(1\mp i\sqrt{3})\zeta}{4\cdot 3^{2/3}\beta}$ (11) (12) where $\zeta(\alpha,\beta,\gamma)=\left(9\beta^{2}\gamma+\sqrt{3}\sqrt{8\alpha^{3}\beta^{3}+27\beta^{4}\gamma^{2}}\right)^{1/3}.$ (13) Initially, at $\alpha=\alpha_{i}$, the confining harmonic part of the external potential and the Coulomb repulsion are dominant, thus we can neglect the quartic potential. The trap frequency is then given by $\omega^{2}=2\alpha e/m$ at an ion distance of $d=\left(\kappa/\alpha\right)^{1/3}$. At the CP, $\alpha=0$, and without tilt, $\gamma=0$, the ion distance is determined by quartic confinement and Coulomb repulsion: $d_{CP}=\left(2\kappa/\beta\right)^{1/5}.$ (14) The Coulomb repulsion pushes the ions away from the trap center (where the curvature of the external potential vanishes), such that a residual harmonic confinement persists because of the quartic term. The minimum trap frequency during the splitting process is thus given by [8] $\omega_{CP}=\beta^{3/10}\left(3e/m\right)^{1/2}\left(2\kappa\right)^{1/5}.$ (15) Near the CP, the equilibrium distance can be computed from a perturbative expression up to second order: $d(\alpha)\approx d_{CP}-\frac{1}{5}\left(\frac{16}{\beta^{4}\kappa}\right)^{1/5}\alpha+\frac{2}{25}\left(\frac{4}{\beta^{7}\kappa^{3}}\right)^{1/5}\alpha^{2},$ (16) for $|\alpha|\ll\beta d_{CP}^{2}$ and $|\alpha|\ll\kappa d_{CP}^{-3}$. The center-of-mass position of the ion crystal near the critical point to first order in the tilt parameter $\gamma$ is: $x_{0}(\alpha,\gamma)\approx\gamma\left(-\frac{1}{3\cdot 2^{2/5}\beta^{3/5}\kappa^{2/5}}-\frac{2^{1/5}}{45\cdot\beta^{6/5}\kappa^{4/5}}\alpha+\frac{26\cdot 2^{4/5}}{675\beta^{9/5}\kappa^{6/5}}\alpha^{2}\right)$ (17) If the ions are sufficiently separated, $\alpha\ll 0$, the Coulomb repulsion can be neglected and the equilibrium positions approximately coincide with the extrema of the external potential: $d_{f}=\sqrt{-2\alpha_{f}/\beta}$ (18) and the final trap frequency is given by $\omega_{f}^{2}=-4\alpha_{f}e/m$. ### 2.3 Critical tilt value A static background force along the trap axis can to keep the ions confined in one common potential well throughout the splitting process. We make use of the external potential minima Eqs. 12 to obtain an estimate for the tilt parameter $\tilde{\gamma}$, beyond which the splitting ceases to work. In the following, we assume $\gamma>0$. Figure 3: Critically tilted potential, see text such that the Coulomb repulsion fails to push the right ion across the saddle point. In the presence of a nonzero potential tilt, an imperfect bifurcation occurs, i.e. the second potential well opens up at $\tilde{\alpha}<0$, see Fig. 2 c). We obtain a scaling law for $\tilde{\gamma}$ by calculating at which tilt parameter the original potential well is deep enough to keep both mutually repelling ions confined, see Fig. 3. The saddle point where the second potential well opens can be found by solving $x_{0,c}^{(0)}=x_{0,c}^{(+)}$ for $\tilde{\alpha}$, yielding $\tilde{\alpha}=-{\textstyle\frac{3}{2}}\beta^{1/3}|\gamma|^{2/3}$. From this we obtain its position 222For $\gamma\geq 0$, $x_{0}^{(0)}$ corresponds to the left potential minimum which always exists, and for $\alpha<\tilde{\alpha}<0$, $x_{0}^{(+)}$ corresponds to the right potential minimum and $x_{0}^{(-)}$ corresponds to the maximum of the separation barrier. By contrast, for $\gamma<0$, $x_{0}^{(0)}$ corresponds to the right potential minimum, and for $\alpha<0<\tilde{\alpha}$, $x_{0}^{(+)}$ corresponds to the left minimum. to be $x_{0,c}^{(+,0)}={\textstyle\frac{1}{2}}\left(\gamma/\beta\right)^{1/3}$. At $\tilde{\alpha}$, the left potential minimum is located at twice the distance from the origin $x_{0,c}^{(-)}=-\left(\gamma/\beta\right)^{1/3}$. The potential attains the same value as on the saddle point $V(x_{0,c}^{(+,0)})$ at the position $\tilde{x}_{c}^{(+)}=-{\textstyle\frac{3}{2}}\left(\gamma/\beta\right)^{1/3}$. The depth of the potential well defined by the saddle point when the right well opens is therefore $\Delta V_{c}=V(x_{0,c}^{(-)})-V(x_{0,c}^{(+,0)})=\frac{27}{16}\left(\frac{\gamma^{4}}{\beta}\right)^{1/3}.$ (19) We can now define a criterion which determines whether the ions are actually separated by comparing the Coulomb potential to the depth of the initial well at the CP, Eq. 19: If the Coulomb repulsion pushes the right ion beyond the saddle point $x_{0,c}^{(+,0)}$, it will end up in the right potential well, otherwise the two ions will stay in the left well. Thus, the Coulomb energy at an ion distance of $x_{0,c}^{(+,0)}-\tilde{x}_{c}^{(+)}$ has to be larger than the well depth $\Delta V_{c}$. These considerations lead to a critical tilt value of $\tilde{\gamma}<\pm~{}C_{\gamma}\left(\kappa^{3}{\beta^{2}}\right)^{1/5}.$ (20) Despite the fact that the situation depicted Fig. 3 does not actually occur, as the external force at the saddle point vanishes and therefore cannot balance the Coulomb force, the obtained scaling behavior is confirmed by numerical calculations, revealing a prefactor of $C_{\gamma}=$1.06. The result Eq. 20 enables us to determine the required degree of precision by which the background axial field has to be corrected. For this calculation, only the geometry parameters $\beta_{C,S,O}$ are needed. Furthermore, the sensitivity decreases as $\beta^{2/5}$, which directly characterizes the gain in robustness when the accessible voltage range is enhanced. For trap A (Sec. 6), we derive a value of $\tilde{\gamma}\approx 3V/m$, corresponding to the requirement to set $\Delta U_{O}$ more accurately than about 9 mV. ## 3 Intricacies of crystal splitting ### 3.1 Impulsive acceleration at the critical point Figure 4: Impulsive acceleration at the critical point. a) shows the equilibrium distance (black) versus time. The red lines depict the approximate slopes $\dot{d}_{CP}$ within time $\tau_{CP}$ before and beyond the CP. They illustrate how the impulsive displacement $\delta d_{CP}$ Eq. 23 is obtained from slope beyond the CP, and why the difference of the slopes, i.e. the second derivative $\ddot{d}_{CP}$, determines the onset of adiabaticity (see text). It is also shown how the trap frequency (gray) varies strongly during the CP trap period. b) compares the final excitation obtained from the simple approximation Eqs. 25 (dashed), 28 (solid) to simulation results (dots). The onset of adiabaticity $\chi=1$, is marked with vertical bars. The calculations are carried out for a harmonic coefficients $\alpha(t)$ linearly varying around the CP, and different constant values for the quartic coefficient $\beta$. A naïve approach towards crystal splitting is the linear interpolation between two voltage sets pertaining to a single well and a double well, leading to a constant variation rate of the harmonic coefficient $\alpha$. As this does not involve a dedicated control of the ion distance, it is equivalent to a rapid sweep across a structural transition of the ion crystal. This leads to an unfavorable power-law scaling of the energy transfer with respect to the sweep time [15], which prevents attaining adiabaticity. In the following, we derive an approximation for the energy transfer, assuming the variation of $\alpha$ around the CP to be uniform. We consider the energy transfer to be caused by impulsive displacement: At the CP, the equilibrium distance changes most rapidly, while the confinement - and therefore the restoring forces - are reduced. Fig. 4 a) shows that the situation corresponds to a harmonic oscillator which is suddenly dragged at uniform speed, causing displacement and therefore a gain in potential energy. Within the characteristic timescale set by half a the trap oscillation cycle $\tau_{CP}=\pi/\omega_{CP}$, this yields the displacement: $\displaystyle\delta d_{CP}$ $\displaystyle\approx$ $\displaystyle\dot{d}_{CP}\;\xi\;\tau_{CP}/2$ (21) $\displaystyle\approx$ $\displaystyle\left.\frac{\partial d}{\partial\alpha}\right|_{CP}\dot{\alpha}_{CP}\;\xi\;\tau_{CP}/2$ (22) $\displaystyle\approx$ $\displaystyle\left(\beta_{CP}^{4}~{}\kappa\right)^{-1/5}\dot{\alpha}_{CP}\;\xi\;\tau_{CP}/2,$ (23) where Eq. 16 was used in the last line. The factor $\xi$ accounts for the fact that the trap frequency increases beyond the CP, such that the restoring forces set in before $\tau_{CP}$ and the resulting displacement is reduced. This sudden displacement mechanism is sketched in Fig. 4 a). The potential energy of an ion is consequently increased by $\displaystyle\delta E$ $\displaystyle=$ $\displaystyle\frac{1}{2}m\omega_{CP}^{2}\left(\delta d_{CP}/2\right)^{2}$ (24) $\displaystyle=$ $\displaystyle\frac{\pi^{2}}{8}\;\xi^{2}\;m\left(\beta_{CP}^{4}~{}\kappa\right)^{-2/5}\dot{\alpha}^{2}_{CP},$ (25) which serves as an approximation of the final energy transfer. For a sufficiently small $|\dot{\alpha}|_{CP}$, adiabaticity sets in and the energy transfer scales exponentially with the splitting time. The reason for this is that the Coulomb repulsion serves to push the ions outwards, providing smooth variation of the equilibrium distance as compared to discontinuous behavior of the minima of the external potential, see Fig. 2 b). It therefore leads to rapid, but continuous variation of the equilibrium positions with $\alpha$. The onset of the adiabatic regime is identified by comparing displacement $\delta d_{CP}$ to the change of the equilibrium distance within $\tau_{CP}$ below the CP (see Fig. 4 a)), which means that the ion acceleration around the CP is sufficiently slow to prevent sudden displacement. We therefore compare the acceleration $\ddot{d}_{CP}$ to the reference acceleration $d_{CP}\omega_{CP}^{2}$, yielding the adiabaticity parameter $\displaystyle\chi$ $\displaystyle=$ $\displaystyle\frac{\ddot{d}_{CP}}{d_{CP}\omega_{CP}^{2}}$ (26) $\displaystyle=$ $\displaystyle\frac{4}{25}\frac{m}{3e}2^{-1/5}\beta_{CP}^{-9/5}\kappa^{-6/5}\dot{\alpha}_{CP}^{2}$ (27) In the adiabatic regime, $\chi<1$, the energy transfer is given by: $\delta E^{\prime}\approx\delta E\exp\left[c^{2}\left(1-\frac{1}{\chi}\right)\right]$ (28) Numerical simulations are carried out for different constant values for $\beta$ and a linear variation of $\alpha$ around the CP. The results are shown in Fig. 4 b). It can be seen that the approximations Eqs. 25,28 hold over a wide range of splitting times and quartic coefficients, and that large energy transfers in the regime of 104-106 phonons are readily obtained. The simulations yield a value of $\xi^{2}\approx$0.1. We conclude that in this regime, the energy transfer depends only on the ion mass, the variation rate of $\alpha$ and the quartic confinement at the CP. As can be seen from the simulation results, still large energy transfers are obtained at the onset of adiabaticity, such that splitting at energy transfers on the single phonon level would require splitting times on the order of several hundreds of $\mu$s. As we will show in further sections, this problem can be overcome using ramps that ensure a small ion acceleration $\ddot{d}_{CP}$ at the CP. Note that $\ddot{d}_{CP}=\left.\frac{\partial^{2}d}{\partial\alpha^{2}}\right|_{CP}\dot{\alpha}_{CP}^{2}+\left.\frac{\partial d}{\partial\alpha}\right|_{CP}\ddot{\alpha}_{CP}.$ (29) For sufficiently uniform variation of $\alpha$, the second term can generally be neglected, such that by using Eq. 16, we obtain $\ddot{d}_{CP}=\frac{2}{25}\left(\frac{4}{\beta_{CP}^{7}\kappa^{3}}\right)^{1/5}\dot{\alpha}_{CP}^{2}.$ (30) Thus, the energy transfer can be reduced by ensuring a small variation rate of $\alpha$ at the CP. ### 3.2 Uncompensated potential tilt A residual static force along the trap axis, expressed by the coefficient $\gamma^{\prime}$ in Eq. 5, can originate from stray charges, laser induced charging of the trap [16], trap geometry imperfections or residual ponderomotive forces along the trap axis. The behavior of the equilibrium positions in the presence of an imperfectly compensated tilt, shown in Fig. 2, reveals a discontinuity for the critical $\tilde{\gamma}$, leading to diverging acceleration. The divergence of the acceleration impedes us to perform the splitting process adiabatically for $|\gamma|\lesssim\tilde{\gamma}$, i.e. the voltages can not be changed sufficiently slow to suppress motional excitation. Thus, one might encounter the situation that the tilt is sufficiently well compensated to allow for splitting, but sufficiently low excitations cannot be obtained irrespectively of the splitting time and other control parameters. For small tilt parameters, $|\gamma|\ll\tilde{\gamma}$, we can employ the perturbative expressions Eqs. 16, 17 of the equilibrium positions to obtain $\frac{\partial^{2}x_{R,L}}{\partial\alpha^{2}}=\frac{\partial^{2}x_{0}}{\partial\alpha^{2}}\pm\frac{1}{2}\frac{\partial^{2}d}{\partial\alpha^{2}}=\gamma\frac{52\cdot 2^{4/5}}{675\beta^{9/5}\kappa^{6/5}}\pm\frac{2}{25}\left(\frac{4}{\beta^{7}\kappa^{3}}\right)^{1/5}$ (31) We can estimate the tilt parameter at which the acceleration of one of the ions is twofold compared to the tilt-free case determined by Eq. 30 to be about 67% of the critical tilt $\tilde{\gamma}$. Due to the divergence of the acceleration at $\tilde{\gamma}$, we can expect the actual acceleration at this tilt value to be substantially larger, we thus conclude that a residual tilt $|\gamma|\ll\tilde{\gamma}$ is required to realize crystal splitting at low motional excitation. A possible experimental scheme for this has been demonstrated in [10]: The separation process is performed on a slow (second) timescale under continuous Doppler cooling and detection. The ion positions are extracted from the camera image, and a deviation of the center-of-mass from the initial value is restored by automatic adjustment of the outer electrode differential voltage $\Delta U_{O}$. ### 3.3 Anomalous heating at the critical point Microstructured ion traps exhibit anomalous heating, i.e. the mean phonon number increases due to thermalization with the electrodes at a timescale much faster than predicted by the assumption that only Johnson-Nyquist noise is present [17]. This process can be modeled as $\dot{\bar{n}}=\Gamma_{h}$, with the heating rate $\Gamma_{h}(\omega)=S_{E}(\omega)e^{2}/4m\hbar\omega$ where the spectral electric-field-noise density $S_{E}$ depends on the trap frequency $\omega$. A polynomial decrease $S_{E}\propto\omega^{-a}$ is often assumed, where experimentally determined values for the exponent $a$ range from 0.5 to 2.5. Additionally, peaked features might arise in the noise spectrum which are caused by technical sources. Moreover, the absolute values of the heating rates strongly depend on the properties of the electrode surfaces. Typical values at trap frequencies in the 1 MHz regime range from 0.1 to tens of phonons per millisecond. As the trap frequency is strongly decreased around the CP, we can expect a significant amount of excess energy after the splitting caused by anomalous heating, increasing for longer splitting durations. We model this contribution by integrating over a time dependent heating rate: $\Delta\bar{n}_{th}=\int_{0}^{T}\Gamma_{h}\left(\omega(t)\right)dt.$ (32) For the simulations that follow we will employ an experimentally determined relation for trap A (Sec. 6) which is $\Gamma_{h}(\omega)\approx 6.3\cdot\left(\omega/2\pi\textrm{MHz}\right)^{-1.81}ms^{-1}$. This does not depend on the geometry of trap A but on the properties of our trap apparatus. In the case of imperfect control of the ion distance around the CP, Sec. 3.1, or in the presence of an uncompensated tilt, Sec. 3.2, one will attempt to reduce the motional excitation by splitting very slowly. This might however be unsuccessful as anomalous heating will strongly contribute to the energy gain at large splitting times. Experimental procedures for ensuring a sufficient degree of control are therefore ultimately required. ## 4 Voltage ramps In this section we explain our scheme for designing voltage ramps for the splitting process. Our intention is to provide a scheme which can be applied any given trap geometry. We do explicitly not rely on the precise knowledge of the electrostatic trap potentials, but rather on quantities which can be measured with reasonable effort. Furthermore, we describe how a single voltage level can be used as a tuning parameter to achieve the optimum result. Our scheme assumes that the tilt potential is perfectly compensated, $\gamma=0$. We proceed as follows: We first describe how the segment voltages are supposed to vary with the harmonicity parameter $\alpha$, where we simply fix voltage levels on a small set of mesh points. We then show how this is used in conjunction with a chosen distance-versus-time and available distance- versus-$\alpha$ information to obtain time-domain voltage ramps which can be employed in the experiment. ### 4.1 Static voltage sets The calculation of suitable voltage ramps relies on the signs and on the magnitude ordering of the geometry parameters. In Table 1 we list values for several different microstructured traps. We assume that any reasonable segmented trap geometry will exhibit similar characteristics. From the results of Sec. 3, it is clear that we desire a large positive value of $\beta_{CP}$. We assume that the voltages which can be applied to the segments are limited by hardware constraints to the symmetric maximum/minimum values $\pm U_{lim}$. To achieve the largest possible $\beta$ at the CP, we begin the splitting protocol by ramping the $O$ segments to $+U_{lim}$, keep them at constant bias during around the CP, and ramp them back to zero bias after the splitting. The CP is defined by the condition $\alpha=0$, which is accomplished by suitable voltages $U_{C,S}$. This leaves one degree of freedom, which can be eliminated by maximizing $\beta_{CP}$. We solve Eq. 3 for $U_{C}$ : $U_{C}=\frac{1}{\alpha_{C}}\left(\alpha-\alpha_{O}U_{O}-\alpha_{S}U_{S}\right).$ (33) The largest possible $\beta_{CP}$ is then given by inserting this result into Eq. 4 and setting $U_{O}^{(CP)}=+U_{lim},U_{S}^{(CP)}=-U_{lim}$: $\max_{U_{C},U_{S}}\beta_{CP}=\left(\beta_{O}+\frac{\beta_{C}}{\alpha_{C}}\alpha_{S}-\beta_{S}-\frac{\beta_{C}}{\alpha_{C}}\alpha_{O}\right)U_{lim}$ (34) Static splitting voltage sets are obtained by fixing the initial, CP and final voltage configurations and interpolating between these. The procedure consists of the following steps: 1. 1. Determine the initial $\alpha_{i}>0$ from Eq. 3 using the initial voltages $U_{C}^{(i)}<0$ V, $U_{S}^{(i)}=U_{O}^{(i)}=0$ V. 2. 2. Choose the voltages at the CP such that the maximum $\beta_{CP}$ is attained, by setting $U_{O}^{(CP)}=+U_{lim},U_{S}^{(CP)}=-U_{lim}$ and $U_{C}^{(CP)}$ from Eq. 33 for $\alpha=0$. 333If the geometry parameters are such that $U_{C}^{(CP)}$ exceeds $\pm U_{lim}$, set $U_{C}^{(CP)}=-U_{lim}$ and obtain $U_{S}^{(CP)}$ solving Eq. 3 for $U_{S}$ rather than $U_{C}$. 444If the magnitude of $U_{S}^{(CP)}$ is chosen smaller than $U_{lim}$, this leads to smaller values of $\beta_{CP}$ and a larger ion separation at the CP. This offers the possibility for well-controlled studies of the dependence of the splitting process on the quartic confinement at the CP.. 3. 3. Determine the desired final voltages. We choose $U_{C}^{(f)}=0$ V, $U_{S}^{(f)}=U_{S}^{(CP)}=-U_{lim}$ and $U_{O}^{(f)}=0$ V. This choice is convenient when $U_{C}^{(i)}\approx-U_{lim}$ and ensures that the ions are finally kept close to the respective centers of the $S$ segments with a trap frequency similar to the initial one. Obtain $\alpha_{f}$ from Eq. 3. 4. 4. For approaching the CP, $\alpha_{i}\geq\alpha>0$, set $U_{S}(\alpha)=\left(1-\frac{\alpha}{\alpha_{i}}\right)U_{S}^{(CP)}$ (35) and $U_{O}(\alpha)=\cases{2\left(1-\frac{\alpha}{\alpha_{i}}\right)U_{lim}\qquad\alpha>\frac{\alpha_{i}}{2}\\\ U_{lim}\qquad\ \ \alpha\leq\frac{\alpha_{i}}{2}\\\ }$ (36) and obtain $U_{C}(\alpha)$ from Eq. 33. 5. 5. Beyond the CP, $0\geq\alpha\geq\alpha_{f}$, set $U_{S}(\alpha)=-U_{lim}$ (37) and $U_{O}(\alpha)=\cases{U_{lim}\qquad\alpha>\frac{\alpha_{f}}{2}\\\ 2\left(1-\frac{\alpha}{\alpha_{f}}\right)U_{lim}\ \ \ \ \alpha\leq\frac{\alpha_{f}}{2}\\\ }$ (38) and obtain $U_{C}(\alpha)$ from Eq. 33. Figure 5: Voltage ramp transfer to the time domain: A predefined time-to- distance function $d(t)$ shown in panel a) is used in conjunction with $\alpha$-to-distance information $\alpha(d)$ shown in b) to determine the time-dependent electrode voltages $U_{n}(t)$ using the static voltage sets $U_{n}(\alpha)$ from panel c). The resulting ramps $U_{n}(t)$ are shown in d). The dashed curves are corresponding to the case when the voltage ramps are calculated according to the presented method, but realistic trap potentials from simulations are used to determine $d_{f}$ and $d(\alpha)$. The dashed arrows exemplify how a specific value $U_{C}$ is obtained. ### 4.2 Time domain ramps We now show how to design suitable time-domain voltage ramps $U_{n}(t)$ that will assure well-controlled splitting. It has been shown in Sec. 3.1 that a small value of the acceleration at the CP, $\ddot{d}_{CP}$, is required for achieving a low energy transfer. This in turn is guaranteed by well-controlled variation of of the distance $d(t)$ throughout the splitting process. As $d(\alpha)$ is monotonically decreasing with $\alpha$, it can be inverted to obtain $\alpha(d)$ which is used to compute the final voltage ramp as $U_{n}(\alpha(d(t)))$ (see Fig. 5.). Possible choices for $d(t)$ are a sine-squared ramp $d(t)=d_{i}+\left(d_{f}-d_{i}\right)\sin^{2}\left(\frac{\pi t}{2T}\right)$ (39) or a polynomial ramp $d(t)=d_{i}+\left(d_{f}-d_{i}\right)\left(-10\frac{t^{3}}{T^{3}}+15\frac{t^{4}}{T^{4}}-6\frac{t^{5}}{T^{5}}\right)$ (40) Both ramps fulfill $d(0)=d_{i},d(T)=d_{f},\dot{d}(0)=\dot{d}(T)=0$. The polynomial ramp, used in the following, additionally fulfills $\ddot{d}(0)=\ddot{d}(T)=0$, while the second derivative of the sine-squared ramp displays discontinuities. However, these features presumably play no role in experiments, as the voltage ramps are generally subject to discretization and filtering. Different methods can be employed for the determination of $d(\alpha)$: * • The equilibrium distance can be computed by employing realistic trap potentials from simulation data, using the voltage configuration pertaining to a given $\alpha$ as determined by the static voltage sets $U_{n}(\alpha)$. This method requires the simulated potentials to match the actual trap potential with great precision. * • The equilibrium distance can be computed using values from calibration measurements for the coefficients $\alpha_{n},\beta_{n}$. This circumvents the need for simulations and accounts for parameter drifts. It yields only valid values for distances which are small compared to the electrode width, however we will show in Sec. 5 that this procedure yields useful voltage ramps. * • Ion distances can be measured by imaging the ion crystal on a camera, while voltages configurations for decreasing $\alpha$ values are applied. This is the most direct method, and it benefits from the availability of a precise gauge of imaging magnification from measurements of the trap frequency. ## 5 Simulation results In order to analyze the sensitivity of the splitting process and the performance of our ramp design protocol, we numerically solve the classical equations of motion. For the time- and energy-scales and potential shapes under consideration, we expect quantum effects to play no significant role. For the case of single-ion shuttling, the occurrence of quantum effects is thoroughly discussed in Ref. [18]. We perform the simulations using either the Taylor approximation of the potentials or the realistic potentials from electrostatic simulations [14] for trap A, which is similar to that described in Ref. [19]. The voltage ramps $U_{i}(t)$ are used in conjunction with the potentials to yield the equations of motion for the ion positions $x_{1}<x_{2}$. Employing the Taylor approximation potential Eq. 1, these read $-m\ddot{x}_{1,2}=4\beta(t)x_{1,2}^{3}+2\alpha(t)x_{1,2}+\gamma\pm\frac{\kappa}{(x_{2}-x_{1})^{2}},$ (41) where the coefficients are given by using the voltage ramps in Eqs. 3, 4,5. For realistic trap potentials, we obtain $-m\ddot{x}_{1,2}=\sum_{n=C,S,O}U_{n}(t)\left.\frac{d\phi_{n}}{dx}\right|_{x_{1,2}}\pm\frac{\kappa}{(x_{2}-x_{1})^{2}}\\\ $ (42) The possibility to perform the simulations with approximate and realistic potentials serves the purpose of verifying the performance of the voltage ramps. These are determined purely by trap properties around the CP, which are conveniently accessible by measurements. More precisely, the time-domain voltage ramps are based on a $d(\alpha)$ dependency given by the Taylor approximation potential according to Fig. 5, while the resulting energy transfer pertaining to these ramps can be obtained from simulations using realistic potentials. Note that a nonzero tilt can be present in the simulations based on the realistic potentials by summing separately over electrodes $O_{L}$ and $O_{R}$ and adding the differential voltage $\pm\Delta U_{O}$ given by $\gamma/\gamma_{O}$ accordingly. The calculations presented here employ the mass of 40Ca+ ions which we use in our experiments, and all simulations were performed for a limiting voltage range $U_{lim}=10$ V. Eqs. 41 or 42 are solved numerically using the NDSolve package from Mathematica, with the ions starting at rest. The final oscillation of each ion around its equilibrium position is analyzed and yields the energy transfer expressed as the mean phonon number $\bar{n}=\Delta E/\hbar\omega_{f}$. We distinguish several regimes of laser-ion interaction: i) If the vibrational excitation becomes so large that the average Doppler shift per oscillation cycle exceeds the natural linewidth of a cycling transition, ion detection by counting resonance fluorescence photons will be impaired. ii) Measurement of the energy transfer i.e. by probing on a stimulated Raman transition [3] typically requires mean phonon numbers below about 300. iii) The Lamb-Dicke regime of laser-ion interaction, where coherent dynamics on resolved sidebands can be driven [20] is typically attained below about 10 phonons. The borders between these regimes depend on the trap frequency, ion mass and the specific atomic transitions to be driven, thus the regimes are indicated as broad gray bands in Fig. 6. Note that if final excitations in the measurable regime are obtained, an electrical counter kick can be applied for bringing the oscillation to rest [3]. ### 5.1 Dependence on splitting time We first analyze the dependence of the energy transfer on the duration of the splitting process $T$, the result is shown in Fig. 6. The calculation is carried out for the ideal case of perfectly compensated potential tilt. We see that the final excitation becomes sufficiently low to remain in the Lamb-Dicke regime for typical laser-ion interaction settings at times larger than about 40 $\mu s$, which clearly outperforms the naïve approach of voltage interpolation from Sec. 3.1. We also take into account increased anomalous heating around the CP by employing the averaged heating rate according to Eq. 32. We see that for our specific heating rates, the limit of about one phonon per ion can not be overcome, but as the anomalous heating contribution is scaling as $1/T$, the splitting result becomes rather insensitive with respect to the precise choice of the $T$ beyond $T=$ 50 $\mu s$. The simulation results verify our approach of calculating the voltage ramps using the Taylor approximated potentials. One recognizes that the resulting energy transfer in this case is larger by a factor of about two throughout the entire range of splitting durations. As can be seen from Fig. 5, this is due to the fact that the Taylor expansion leads to an incorrect voltage set pertaining to the CP, which in turn leads to uncontrolled acceleration as explained in Sec. 3.1. The discrepancy becomes irrelevant for splitting times larger than $T=$ 60 $\mu$s. At around $60$ to $70~{}\mu$s the oscillatory excitation becomes smaller than $\bar{n}=0.1$, corresponding to the limit we can currently resolve in our experiment. The slight inaccuracy for low phonon numbers is due to numerical artifacts. Even lower energy transfers at shorter $T$ could possibly be achieved by ramp engineering, i.e. by the application of shortcut-to-adiabaticity approaches [18, 21]. Figure 6: Energy transfer versus splitting time: Oscillatory (red) and thermal excitation (blue), and the sum of both (black) versus the splitting duration $T$. The solid lines correspond to the calculation using the Taylor approximation, the dashed lines correspond to the full potential calculation, see text. Grey bands seperate different regimes of laser-ion interaction, see text. The thermal excitation was deduced from experimental heating rate data according to Sec. 3.3. The inset shows the trap frequency (black) and the corresponding heating rate (red) as a function of normalized time during the splitting process. ### 5.2 Sensitivity analysis Figure 7: Mean coherent excitation as a function of the offset voltage at the center segment at the CP (a) and the tilt force $\gamma$ (b). The tilt voltage $+\Delta U_{O}$ is applied to the right outer segment and $-\Delta U_{O}$ is applied to the left outer segment. The mean phonon number for the right ion is depicted by dashed lines and by solid lines for the left ion. The curves correspond to different splitting times: $T=60\mu s$ (green), $T=40\mu s$ (black), $T=20\mu s$ (red). The critical tilt is at $\tilde{\gamma}=3~{}$V/m. Two crucial parameters for the splitting operation are the offset voltage at the CP $\Delta U_{C}^{(CP)}$ and the potential tilt $\gamma$. Small variations of these parameters lead to strong coherent excitations as shown in Fig. 7. The CP voltage offset $\Delta U_{C}^{(CP)}$ serves both for modeling and compensation of inaccuracies of the trap potentials, leading to a wrongly determined CP voltage configuration and therefore to increased acceleration. It is implemented into the simulations by just adding it to $U_{C}^{(CP)}$ as determined by Eq. 33 in the calculation of the static voltage sets. We see that even for sufficiently slow splitting, the Lamb-Dicke regime can only be attained if this voltage offset, and therefore the CP voltages in general, are correct within a window of about 20 mV, on the other hand it becomes clear that this voltage serves as convenient fine tuning parameter. The minimum excitation does not occur at $\Delta U_{C}^{(CP)}=0$, but is slightly shifted to positive values. This can be understood by considering that $|\dot{\alpha}|_{CP}$ is increased for any $\Delta U_{C}^{(CP)}\neq 0$, but $\ddot{\alpha}_{CP}$ is decreased for $\Delta U_{C}^{(CP)}>0$. With $\partial d/\partial\alpha$, the second term in Eq. 29 leads to a reduced total acceleration for small positive $\Delta U_{C}^{(CP)}$. Larger values again lead to increased acceleration because of a smaller $\beta_{CP}$ value. All other calculations in this work are done using $\Delta U_{C}^{(CP)}=0$. For the case of an uncompensated tilt $\gamma^{\prime}$, we observe an even stronger dependence of the energy transfer. Fine tuning of the voltage difference on the outer segments $\Delta U_{O}$ on the sub-mV level is required to reach the single phonon regime. Moreover, we observe that moderate uncompensated potential tilts reduce the energy transfer to one of the ions, as its CP acceleration is reduced by a more smooth $x(\alpha)$ dependence. This might be of interest for specific applications where only the energy transfer to one of the ions is of importance. ### 5.3 Dependence on the limiting voltage Figure 8: Dependence on the voltage limit: Oscillatory excitation as a function of the maximum voltage on the outer segments with all other limiting voltages remaining unchanged. The curves correspond to different splitting times: $T=40\mu s$ (green), $T=30\mu s$ (black), $T=20\mu s$ (red). Finally we study the dependence of the energy transfer on the limiting voltage $U_{lim}$. We find that by increasing the voltage limit, beyond $U_{lim}=10$ V used so far, we can obtain lower coherent excitations as shown in Fig. 8. For this simulation, only the maximum voltage on the outer segments (max $U_{O}$) is increased and all other limits remain unchanged. We infer that by increasing the voltage limit on these electrodes up to about $50$ V, one can reduce the mean phonon number by a factor of $\approx 8$ for $T=60\mu$s. For lower splitting durations the enhancing factor becomes slightly smaller. ## 6 Trap geometry optimization We have been showing in Sec. 3 that the outcome of a crystal splitting operation is strongly determined by magnitude of the quartic confinement coefficient at the CP $\beta_{CP}$ from Eq. 34. We thus investigate the effect of the trap geometry on the coefficients $\alpha_{n},\beta_{n},\gamma_{n}$ from Eqs. 7. We calculate the realistic potentials from electrostatic simulations [14] to infer the geometry parameters according to Eq. 7. In particular, six different traps designs were studied, four of which are three- dimensional and two are surface-electrode traps. The results are shown in Tab. 1. The calculations are carried out for a generic simplified geometry shown in Fig. 9 d), which is essentially determined by the segment width $w$, the slit height $h$ and the spacer thickness $d$ for the three-dimensional traps. Trap A ,B[19] and C[13] are similar segmented micro-structured ion traps . Trap B is subdivided into a loading region of larger geometry, B (wide), and a narrow processing region, B (narrow). The data for trap C pertains to a wedge segment of $w=100\mu$m surrounded by larger segments. Trap D is a segmented planar ion trap [22], the calculations are performed at a distance of $100~{}\mu$m between the ion and the surface. Trap D2 is a planar ion trap featuring a segmented ground plane, otherwise identical to trap D. Trap A was used for all simulations in section 5. Parameter | Unit | A | B (wide) | B (narrow) | C | D | D2 ---|---|---|---|---|---|---|--- $w$ | $\mu$m | 200 | 250 | 125 | 100 | 200 | 200 $h$ | $\mu$m | 400 | 500 | 250 | 200 | - | - $d$ | $\mu$m | 250 | 125 | 125 | 250 | - | - $\alpha_{C}$ | 106 m-2 | -3.0 | -2.5 | -9.1 | -6.4 | -1.4 | -12.0 $\beta_{C}$ | 1013 m-4 | 2.7 | 1.7 | 19.9 | 14.4 | 1.5 | -6.5 $\alpha_{S}$ | 106 m-2 | 1.7 | 1.7 | 6.2 | 4.7 | 0.9 | 10.7 $\beta_{S}$ | 1013 m-4 | -3.0 | -1.9 | -22.1 | -14.7 | -1.7 | 5.6 $\gamma_{S}$ | 102 m-1 | 11.0 | 9.3 | 19.2 | 21.6 | 4.1 | 17.8 $\alpha_{O}$ | 106 m-2 | 1.0 | 0.6 | 2.3 | 1.6 | 0.4 | 0.9 $\beta_{O}$ | 1013 m-4 | 0.2 | 0.2 | 2.0 | 1.2 | 0.1 | 0.8 $\gamma_{O}$ | 102 m-1 | 3.2 | 2.2 | 4.3 | 3.2 | 1.2 | 2.2 $\omega_{CP}/2\pi$ | MHz | 0.18 | 0.14 | 0.29 | 0.26 | 0.14 | 0.11 Table 1: Comparison of trap geometry parameters for different linear segmented Paul traps. Letters A to D denote different traps which are operated at various institutes, see text. Note that $\gamma_{C}=0$ by definition. The trap frequency at the critical point is specified for $U_{lim}$=10V and 40Ca+ ions. For trap A and B (wide) we calculate similar parameters, however the minimum trap frequency during the splitting is larger for trap A. Trap B (narrow) exhibits the highest minimum trap frequency of the six geometries as the total dimensions of this section of the trap are rather small. The wedge segment in trap C helps to increase the minimum trap frequency but choosing an overall smaller size seems to be a more favorable solution. The planar trap D has a similar minimum trap frequency as trap B (wide) and is also suitable for splitting ion crystals. The segmentation of the ground plane of this trap (D2) offers an enhanced $\alpha_{C}$, i.e. a large trap frequency. The calculations show however that for a segmentation of the center electrode, the potentials become more anharmonic and the Taylor approximation Eq. 1 breaks down. Thus, the sign and magnitude ordering of the coefficients might be different from the other geometries, therefore the geometry parameters and the ion height above the surface should be carefully chosen to allow for successful splitting operations. Figure 9: Calculated geometry parameters $\alpha_{n},\beta_{n},\gamma_{n}$ and the maximum $\beta_{CP}$ at the critical point for a linear segmented Paul trap with dimensions $h=400~{}\mu$m, $d=250~{}\mu$m as a function of the segment width $w$. The color code is as above: blue - C, red - S, green - O. The limiting voltage for the electrodes is $U_{lim}=10V$. For trap A we calculated the geometry parameters for varying segment width $w$, the result is shown in Fig. 9. We analyze the dependance of all potential coefficients on $w$ with parameters $h$ and $d$ held constant. For splitting operations the optimum segment width would be at about $w=125\mu$m, while the actual segment width of the trap is $w=200\mu$m. We could therefore obtain a roughly twofold increase of $\beta_{CP}$ bought at the expense of a reduced trap frequency for ion storage due to the reduced $\alpha_{C}$ coefficient. Finally, we investigate the dependence of $\beta_{CP}$ on the overall trap geometry size. We therefore pick trap parameters $h$ and $d$ from the range of typical values and determine the optimum segment width $w$ for these. Defining the effective trap size $d_{eff}=\left(w^{2}+h^{2}+d^{2}\right)^{1/2}$, we find a scaling behavior of $\beta_{CP}\approx 2.2\cdot 10^{24}V\cdot d_{eff}^{-4}$, i.e. the best attainable value for the quartic confinement coefficient scales as the inverse fourth power with the effective trap size, which is the similar to the presumed distance scaling law for anomalous heating [17]. We conclude that for a trap architecture aiming at shuttling- based scalable quantum information, the considerations presented here should be incorporated into the design process to facilitate crystal splitting operations. ## 7 Conclusion We have pointed out the pitfalls for ion crystal splitting: Uncontrolled separation and uncompensated background fields lead to enhanced acceleration of the ions when the single well potential is transformed into a double well, which would require splitting times in the millisecond range to keep the motional excitation near the single phonon level. This in turn leads to strong anomalous heating due to the reduced confinement during the splitting process. We presented a framework to design voltage ramps which allow for coping with these problems. The scheme does only rely on measured calibration data which is obtained for the initial situation, where the ions are tightly confined in a single potential well. We carried out simulations, which elucidate the energy transfer mechanisms, and verify the performance of our scheme for the voltage ramp calculation. We showed that excitations near the single phonon level can be obtained for the specific trap apparatus we use. Furthermore, we analyzed the suitability of different trap geometries for ion crystal splitting by means of electrostatic simulations. We concluded that crystal splitting becomes easier for smaller trap structures, and that dedicated optimization of the geometry can be helpful. In future work, we envisage to analyze how crystal splitting can be performed on faster timescales by using shortcut-to-adiabaticity approaches, with an emphasis on robustness against experimental imperfections. ## Acknowledgments We thank René Gerritsma and Georg Jacob for proofreading the manuscript. This research was funded by the Office of the Director of National Intelligence (ODNI), Intelligence Advanced Research Projects Activity (IARPA), through the Army Research Office grant W911NF-10-1-0284. All statements of fact, opinion or conclusions contained herein are those of the authors and should not be construed as representing the official views or policies of IARPA, the ODNI, or the US Government. CTS acknowledges support from the German Federal Ministry for Education and Research (BMBF) via the Alexander von Humboldt Foundation. ## References * [1] Rainer Blatt and David Wineland. Entangled states of trapped atomic ions. Nature, 453(7198):1008–1015, 2008. * [2] D. Kielpinski, C. Monroe, and D.J. Wineland. Architecture for a large-scale ion-trap quantum computer. Nature, 417:709, 2002. * [3] A. Walther, F. Ziesel, T. Ruster, S. T. Dawkins, K. Ott, M. Hettrich, K. Singer, F. Schmidt-Kaler, and U. Poschinger. Controlling fast transport of cold trapped ions. Phys. Rev. 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Near-ground-state transport of trapped-ion qubits through a multidimensional array. Phys. Rev. A, 84:032314, 2011. * [14] K. Singer, U. Poschinger, M. Murphy, P. Ivanov, F. Ziesel, T. Calarco, and F. Schmidt-Kaler. Colloquium : Trapped ions as quantum bits: Essential numerical tools. Rev. Mod. Phys., 82:2609–2632, Sep 2010. * [15] S Ulm, J Roßnagel, G Jacob, C Degünther, ST Dawkins, UG Poschinger, R Nigmatullin, A Retzker, MB Plenio, F Schmidt-Kaler, et al. Observation of the kibble–zurek scaling law for defect formation in ion crystals. Nature communications, 4, 2013. * [16] M. Harlander, M. Brownnutt, W. Hänsel, and R. Blatt. Trapped-ion probing of light-induced charging effects on dielectrics. New J. Phys., 12:093035, 2010. * [17] M. Brownnutt, M. Kumph, P. Rabl, and R. Blatt. Ion-trap measurements of electric-field noise near surfaces. to be published. * [18] HA Fürst, MH Goerz, UG Poschinger, M Murphy, S Montangero, T Calarco, F Schmidt-Kaler, K Singer, and CP Koch. Controlling the transport of an ion: Classical and quantum mechanical solutions. arXiv preprint arXiv:1312.4156, 2013. * [19] Stephan Schulz, Ulrich Poschinger, Frank Ziesel, and Ferdinand Schmidt-Kaler. Sideband cooling and coherent dynamics in a microchip multi-segmented ion trap. New J. Phys., 10:045007, 2008. * [20] Dietrich Leibfried, Brian DeMarco, Volker Meyer, David Lucas, Murray Barrett, Joe Britton, WM Itano, B Jelenković, Chris Langer, Till Rosenband, et al. Experimental demonstration of a robust, high-fidelity geometric two ion-qubit phase gate. Nature, 422(6930):412–415, 2003. * [21] M Palmero, E Torrontegui, David Guéry-Odelin, and JG Muga. Fast transport of two ions in an anharmonic trap. Physical Review A, 88(5):053423, 2013. * [22] S. Narayanan, N. Daniilidis, S. A. Möller, R. Clark, F. Ziesel, K. Singer, F. Schmidt-Kaler, and H. Häffner. Electric field compensation and sensing with a single ion in a planar trap. J. Appl. Phys., 110:114909, 2011.
arxiv-papers
2014-03-01T15:41:10
2024-09-04T02:49:59.134386
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "H. Kaufmann, T. Ruster, C. T. Schmiegelow, F. Schmidt-Kaler, U. G.\n Poschinger", "submitter": "Henning Kaufmann", "url": "https://arxiv.org/abs/1403.0097" }
1403.0155
# Chemistry and Radiative Transfer of Water in Cold, Dense Clouds Eric Keto1, Jonathan Rawlings2, and Paola Caselli3 1Harvard-Smithsonian Center for Astrophysics, 160 Garden St, Cambridge, MA 02420, USA 2University College London, London, UK 3School of Physics and Astronomy, University of Leeds, Leeds LS2 9JT, UK E-mail: [email protected] (EK); [email protected] (JR) [email protected] (PC) (February 19, 2014) ###### Abstract The Herschel Space Observatory’s recent detections of water vapor in the cold, dense cloud L1544 allow a direct comparison between observations and chemical models for oxygen species in conditions just before star formation. We explain a chemical model for gas phase water, simplified for the limited number of reactions or processes that are active in extreme cold ($<$ 15 K). In this model, water is removed from the gas phase by freezing onto grains and by photodissociation. Water is formed as ice on the surface of dust grains from O and OH and released into the gas phase by photodesorption. The reactions are fast enough with respect to the slow dynamical evolution of L1544 that the gas phase water is in equilibrium for the local conditions thoughout the cloud. We explain the paradoxical radiative transfer of the H2O ($1_{10}-1_{01}$) line. Despite discouragingly high optical depth caused by the large Einstein A coefficient, the subcritical excitation in the cold, rarefied H2 causes the line brightness to scale linearly with column density. Thus the water line can provide information on the chemical and dynamical processes in the darkest region in the center of a cold, dense cloud. The inverse P-Cygni profile of the observed water line generally indicates a contracting cloud. This profile is reproduced with a dynamical model of slow contraction from unstable quasi- static hydrodynamic equilibrium (an unstable Bonnor-Ebert sphere). ###### keywords: Interstellar Medium (ISM), Nebulae: ISM Interstellar Medium (ISM), Nebulae: abundances; Interstellar Medium (ISM), Nebulae, ISM: individual, L1544; Interstellar Medium (ISM), Nebulae: molecules; Physical Data and Processes, astrochemistry; Physical Data and Processes, radiative transfer; ## 1 Introduction Observations of water vapor in the interstellar medium (ISM) by the Infrared Space Observatory (van Dishoeck et al., 1999) and the Submillimeter Wave Astronomy Satellite (SWAS) (Bergin et al., 2000) show general agreement with chemical models for warm ($>300$ K) conditions in the ISM (Melnick et al., 2000; Neufeld et al., 2000). However, in cold conditions, most of the water is frozen onto dust grains (Viti et al., 2001; van Dishoeck, Herbst & Neufeld, 2013), and the production of water occurs mainly on the grain surfaces. In order to test chemical models that include grain-surface chemistry we used the Heterodyne Instrument for the Far-Infrared (HIFI) (de Graauw et al., 2010) on the Herschel Space Observatory to observe the H2O ($1_{10}-1_{01}$) line in the cold, dense cloud L1544 (Caselli et al., 2010, 2012). The first of these two Herschel observations was made with the wide-band spectrometer (WBS) and detected water vapor in absorption against the weak continuum radiation of dust in the cloud. Follow-up observations with higher spectral resolution and sensitivity, made with the high resolution spectrometer (HRS), confirmed the absorption and detected a blue-shifted emission line that was predicted by theoretical modeling (Caselli et al., 2010), but too narrow to be seen by the WBS in the first observation. With the better constraints provided by the second observation, we improved the chemical and radiative transfer modeling in our previous papers. We modified the radiative transfer code MOLLIE to calculate the line emission in the approximation that the molecule is sub-critically excited. This assumes that the collision rate is so slow that every excitation leads immediately to a radiative de-excitation and the production of one photon which escapes the cloud, possibly after many absorptions and re-emissions, before another excitation. The emission behaves as if the line were optically thin with the line brightness proportional to the column density. This approximation can be correct even at very high optical depth as long as the excitation rate is slow enough, C $<$ A/$\tau$, where C is the collision rate, A is the spontaneous emission rate and $\tau$ the optical depth (Linke et al., 1977). Caselli et al. (2012) presented the observations and the results of this modeling. In this paper, we discuss in detail the theory behind the modeling. A comparison of the spectral line observation with theory requires three models. First, we require a hydrodynamical model to describe the density, velocity, and temperature across the cloud. We use a model of slow contraction in quasi- static unstable equilibrium that we developed in our previous research (Keto & Field, 2005; Keto & Caselli, 2010). Second, we require a chemical model to predict the molecular abundance across the varying conditions in the cloud. Following the philosophy for simplified chemical networks in Keto & Caselli (2008) or Bethell & Bergin (2009), we extract from a general chemical model for photo-dissociation regions (Hollenbach et al., 2009) a subset of reactions expected to be active in cold conditions, principally grain-surface reactions as well as freeze-out and photodissociation. Third, we require a radiative transfer model to generate a simulated molecular line. We modify our non-LTE radiative transfer code MOLLIE to use the escape probability approximation. This allows better control of the solution in extreme optical depth. The three models are described in more detail in three sections below. The relevant equations are included in the appendices. ## 2 The three models ### 2.1 The cold, dense clouds Given their importance as the nurseries of star formation, the small ($<0.5$ pc), cold ($<15$ K), dense ($n>10^{3}$ cm-3) clouds in low-mass star ($<2$ M⊙) forming regions such as Taurus are widely studied (Bergin & Tafalla, 2007; di Francesco et al., 2007). Observations show a unique simplicity. They contain no internal sources of heat, stars or protostars. Their internal turbulence is subsonic, barely broadening their molecular line widths above thermal (Myers & Benson, 1983). With most of their internal energy in simple thermal energy, and the weak turbulence just a perturbation (Keto et al., 2006; Broderick & Keto, 2010), the observed density structure approximates the solution of the Lane-Emden equation for hydrostatic equilibrium (Lada et al., 2003; Kandori et al., 2005). Correspondingly, most are nearly spherical with an average aspect ratio of about 1.5 (Jijina, Myers & Adams, 1999). They are heated from the outside both by cosmic rays and by the UV background of starlight and are cooled from the inside by long wavelength molecular line and dust continuum radiation (Evans et al., 2001). Because of their simplicity, we understand the structure and dynamics of these small, cold, dense clouds better than any other molecular clouds in the interstellar medium. They are therefore uniquely useful as a laboratory for testing hypotheses of more complex phenomena such as the chemistry of molecular gas. ### 2.2 Structure and dynamics Our physical model for cold, dense clouds is computed with a spherical Lagrangian hydrodynamic code with the gas temperature set by radiative equilibrium between heating by external starlight and cosmic rays and cooling by molecular line and dust radiation. The theory is discussed in Keto & Field (2005) and Keto & Caselli (2008). In our previous research (Keto & Caselli, 2010), we generated a dynamical model for the particular case of L1544 by comparing observations and snapshots in time out of a theoretical model for the contraction toward star formation. We began the hydrodynamic evolution with a 10 M⊙ Bonnor-Ebert (BE) sphere with a central density of $10^{4}$ cm-3 in unstable dynamical equilibrium and in radiative equilibrium with an external UV field of one Habing flux. In the early stages of contraction, the cloud evolves most rapidly in the center. As long as the velocities remain subsonic, the evolving density profile closely follows a sequence of spherical equilibria or BE spheres with increasing central densities. We compared modeled CO and N2H+ spectra during the contraction against those observed in L1544 and determined that the stage of contraction that best matches the data has a central density of $1\times 10^{7}$ cm-3and a maximum inward velocity just about the sound speed (Keto & Caselli, 2010). Figure 1 shows the density and velocity at this time along with the H2O abundance and temperature. In the present investigation we modify our numerical hydrodynamic code to include cooling by atomic oxygen. This improves the accuracy of the calculated gas temperature in the photodissociation region outside the molecular cloud. The equations governing the cooling by the fine structure lines of atomic oxygen are presented in the appendix. ### 2.3 Chemistry of H2O in cold conditions The cold conditions in L1544 allow us to simplify the chemical model for gas phase water. We include the four oxygen-bearing species most abundant in cold, dark clouds, O, OH, H2O gas, and H2O ice. Even though all three gas phase molecules may freeze onto the grains, we consider only one species of ice because the formation of water from OH and the formation of OH from O are rapid enough on the grain surface that most of the ice is in the form of H2O. To provide a back reaction for the freeze-out of atomic oxygen and preserve detailed balance, we arbitrarily assign a desorption rate for atomic O equal to that of H2O even though the production of atomic O from H2O ice is not indicated. Our simplified model is shown in figure 2. The resulting abundances, calculated as equilibria between creation and destruction, are shown in figures 3 and 4. Figure 3 shows the abundances near the photodissociation region (PDR) boundary as a function of the visual extinction, $A_{V}$. Figure 4 shows the abundances against the log of the radius to emphasize the center. Gas phase water is created by UV photodesorption of water ice which also creates gas phase OH in a ratio H2O/OH = 2 (Hollenbach et al., 2009). In the outer part of the cloud, the UV radiation derives from the background field of external starlight. The inward attenuation of the UV flux is modeled from the visual extinction as $\exp{(-1.8{\rm A_{V}})}$. In the interior where all the external UV radiation has been attenuated, the only UV radiation is generated by cosmic ray strikes on H2. In our previous paper (Caselli et al., 2012), we set this secondary UV radiation to $1\times 10^{-3}$ times the Habing flux (G0=1) (Hollenbach et al., 2009). In our current model, we use a lower level, $1\times 10^{-4}$, that is more consistent with estimated rates (Shen et al., 2004). The difference in abundance for the two rates is shown in figure 4. H2O and OH are removed from the gas phase by UV photodissociation and by freezing onto dust grains. To preserve detailed balance with the photodissociation we include the back reactions, the gas phase production of H2O, O + H2 $\rightarrow$ OH and OH + H2 $\rightarrow$ H2O, even though these are not expected to be important in cold gas. Removal of gas phase water by freeze-out is important in the interior where the higher gas density increases the dust-gas collision rate, and hence the freeze-out rate. We assume that the gas-phase ion-neutral reactions that lead to the production of water are less important at cold temperatures ($<15$ K) than the reactions that produce water on the surfaces of ice-coated dust grains. Thus, we do not include gas-phase ion-neutral reactions in the model. This is valid if the oxygen is quickly removed from the gas-phase by freeze-out and efficiently converted into water ice on the grain surface. By leaving out CO, we avoid coupling in the carbon chemistry. Although we already have a simple model for the carbon chemistry (Keto & Caselli, 2008, 2010), we prefer to keep our oxygen model as simple as possible. This could create an error of a factor of a few in the abundance of the oxygen species. Carbon is one-third as abundant as oxygen, and in certain conditions CO is the dominant carbon molecule. Therefore as much as one-third of the oxygen could potentially be bound in CO. Ignoring O2 is less of a problem. Created primarily by the reaction of OH with atomic oxygen, O2 tends to closely follow the abundance of OH. Since the amount of oxygen in OH should be 1% or less (figure 3), the abundance of O2 does not affect the abundances of the other oxygen species, O, OH, and H2O. Figures 3 and 4 compare the abundances from our simplified network with those from the more complex network of Hollenbach et al. (2009) (courtesy of E. Bergin) that includes gas-phase neutral-neutral and ion-neutral reactions. In this calculation, we hold the cloud at the same time in its dynamical evolution and allow the chemistry to evolve for 10 Myr from the assumed starting conditions in which all species are atomic and neutral. Both models generally agree. The gas-phase water peaks in a region near the boundary. Here there is enough external UV to rapidly desorb the water from the ice, but not so much as to dissociate all the molecules. Further inward, the abundance of water falls as the gas density and the dust-gas collision rate (freeze-out rate) both increase while the photodesorption rate decreases with the attenuation of the UV radiation. At high Av, the water is desorbed only by cosmic rays and the UV radiation they produce in collisions with H2. The general agreement between the two models suggests that the simple model includes the processes that are significant in the cold environment. The rate equations for the processes selected for the simplified model are listed in the appendix (§B). Our simple model calculates equilibrium abundances. We can estimate the equilibrium time scale from the combined rates for creation and destruction (Caselli et al., 2002), $t=\frac{t_{creation}t_{destruction}}{t_{creation}+t_{destruction}}$ (1) where the time scales are the inverses of the rates. Figure 5 shows the equilibrium time scales for each species as a function of radius. These may be compared with the time for the hydrodynamic evolution. A cloud with a mass of 10 M⊙ and a central density of $2\times 10^{6}$ cm-3 has a free-fall time, $t_{ff}=0.03$ Myr using the central density in the standard equation whereas the sound crossing time is about 2 Myr (Keto & Caselli, 2010). Because the chemical time scales are all shorter than the dynamical time scales the chemistry reaches equilibrium before the conditions, density, temperature, and UV flux change. In this estimate of the time scale for chemical evolution, we are asking whether the oxygen chemistry in the contracting molecular cloud can maintain equilibrium as the cloud evolves dynamically. This is different from the question of how long it would take for the chemistry to equilibrate if the gas were held at molecular conditions but evolving from an atomic state. $\begin{array}[]{cc}\includegraphics[width=234.87749pt]{StructureLVG}\end{array}$ Figure 1: Model of a slowly contracting cloud in quasi-static unstable equilibrium. The log of the density profile in cm-3 is shown in blue (dotted line), the fractional abundance of H2O with respect to H2 is shown in green (dashed line), the velocity as the black (solid) line, and the gas temperature as the red (dot-dashed) line. The model spectrum is shown in figure 8. Figure 2: Simplified model of the oxygen chemistry in a cold cloud. The model includes 3 gas-phase species and H2O ice. The significant reactions at cold temperatures (T $<300$ K) are the freeze-out of molecules colliding with dust grains, cosmic ray and photodesorption of the ice, and photodissociation of the gas phase molecules. Figure 3: Abundances of oxygen species as a function of $A_{V}$ for the model of L1544 based on a slowly contracting Bonnor-Ebert sphere. The figure emphasizes the variation of abundances in the PDR at the edge. The figure compares the abundances for the physical conditions in (figure 1) from two models: Hollenbach et al. (2009) (dashed lines) (courtesy E. Bergin); and our simplified model (figure 2). Figure 4 shows abundances from the same models but plotted against log radius to emphasize the variations in the center. Figure 4: Abundances of oxygen species, same as figure 3, except plotted against the log of the radius rather than visual extinction. This figure emphasizes the variations in abundance in the center. The figure shows the H2O abundance calculated with our simplified model using two values for the cosmic ray-induced UV photodesorption (equation 19). The solid green line shows the abundance calculated with factor $\alpha=10^{-4}$. The dotted line shows the abundance calculated with factor $\alpha=10^{-3}$. The abundance calculated with the Hollenbach et al. (2009) model assumes $\alpha=10^{-3}$ (dashed line). Figure 5: Time scales for chemical equilibrium. From top to bottom, the three lines show the equilibration time scales for H2O, OH, and O calculated from equation 1 and the reaction rates in the appendix. ### 2.4 Radiative Transfer We use our radiative transfer code MOLLIE (Keto, 1990; Keto & Rybicki, 2010) to compute model H2O spectra to compare with the Herschel observation. Here we encounter an interesting question. The large Einstein A coefficient of the H2O ($1_{10}-1_{01}$) line results in optical depths across the cloud of several hundred to a thousand depending on excitation. High optical depths generally result in radiative trapping and enhanced excitation of the line. In this case, the line brightness could have a non-linear relationship to the column density. For example, the line could be saturated. On the other hand, the large Einstein A means that the critical density for collisional de-excitation is quite high ($1\times 10^{8}$ cm-3) at the temperatures $<15$ K, higher than the maximum density ($1\times 10^{7}$ cm-3) in our dynamical model of L1544. This suggests that the line emission should be proportional to the column density. This question was addressed by Linke et al. (1977) who proposed a solution using the escape probability approximation (Kalkofen, 1984). They assumed a two level molecule, equal statistical weights in both levels, and the mean radiation field, $\bar{J}$, set by the escape probability, $\beta$, $\bar{J}=J_{0}\beta+(1-\beta)S$ (2) where $J_{0}$ is the continuum from dust and the cosmic microwave background, $S$ is the line source function, and $\beta=(1-\exp{(-\tau)})/\tau.$ (3) After a satisfying bout with three pages of elementary algebra and some further minor approximations, they show that as long as $C<A/\tau$, the line brightness is linearly dependent on the column density, no matter whether the optical depth is low or high, provided that the line is not too bright. To determine whether the water emission line brightness in L1544 has a non- linear or linear dependence, we numerically solve the equations for the two- level molecule with no approximations other than the escape probability and plot the result. Figures 6 and 7 show the dependence of the antenna temperature on the density for low and high densities respectively. Since the column density, the optical depth, and the ratio C/A are all linearly dependent on the density, any of these may be used on the abcissa. The latter two are shown just above the axis. Figure 6 shows that the antenna temperature of the water line emission is linearly dependent on the column density even at high density or high optical depth. Figure 7 shows that the linear relation breaks down when C/A is no longer small. The densities in both figures show that the water line emission in L1544 is in the linear regime. $\begin{array}[]{cc}\includegraphics[width=234.87749pt]{growth- low4}\end{array}$ Figure 6: The dependence of the observed antenna temperature of the H2O ($1_{10}-1_{01}$) line on the H2 number density (cm-3). Because the optical depth and the ratio of the collision rate to spontaneous emission rate (C/A) are both linearly dependent on the density, the abscissa can be labeled in these units as well. Both are shown above the axis. The antenna temperature is linearly dependent on the density or column density even at very high optical depth as long as the ratio C/A is small. $\begin{array}[]{cc}\includegraphics[width=234.87749pt]{growth- high4}\end{array}$ Figure 7: The dependence of the observed antenna temperature of the H2O line ($1_{10}-1_{01}$) on the number density. Same as figure 6 but at higher densities where the ratio C/A is no longer small and the dependence of the antenna temperature on the density is no longer linear. For an intuitive explanation, suppose that a photon is absorbed on average once per optical depth of one. A photon may be absorbed and another re-emitted many times in escaping a cloud of high optical depth. The time scale for each de-excitation is $A^{-1}$. Therefore, the time that it takes a photon to escape the cloud is $\tau/A$. As long as this time is shorter than the collisional excitation time ($1/C$), then on average, an emitted photon will escape the cloud before another photon is created by the next collisional excitation event and radiative de-excitation. In this case, the line remains subcritically excited. The molecules are in the lower state almost all the time. This is the same condition that would prevail if the cloud were optically thin ($\bar{J}=0$ or $\beta=1$). On this basis, in our earlier paper we determined the emissivity and opacity of the H2O line in L1544 by setting $\bar{J}=0$ (Caselli et al., 2012). This approximation was earlier adopted in analyzing water emission observed by the SWAS satellite (Snell et al., 2000) where it is referred to as ”effectively optically thin”. In this current paper, we seek an improved estimate of $\bar{J}>0$ and $\beta<1$ by using the escape probability formalism as suggested by Linke et al. (1977). We determine $\beta$ using the local velocity gradient as given by our hydrodynamical model along with the local opacity using the Sobolev or large velocity gradient (LVG) approximation (eqn. 3-40 Kalkofen, 1984). We use the 6-ray approximation for the angle averaging. We allow for one free scaling parameter on $\beta$ to match the modeled emission line brightness to the observation. We scale the LVG opacity by 1/2. Because the opacity, column density, and line brightness, are all linearly related, the scaling could be considered to derive from any or any combination of these parameters. Given all the uncertain parameters, for example the mean grain cross-section which also affects the line brightness (appendix B), this factor of 2 is not significant. An alternative method to calculate the excitation is the accelerated $\Lambda$-iteration algorithm (ALI). We do not know if this method is reliable with the extremely high optical depth, several hundred to a thousand. $\Lambda$-iteration generally converges, but whether it converges to the correct solution cannot be determined from the algorithm itself (eqn. 6-33 Mihalas, 1978). The excitation may be uncertain, but analysis with the escape probability method allows us to understand the effect of the uncertainty. For example, because we know that the dependence of the line brightness on the opacity or optical depth is linear, we can say that any uncertainty in excitation results in the same percentage uncertainty in the abundance of the chemical model, or the pathlength of the structural model. Once $\bar{J}$ is determined everywhere in the cloud, the equations of statistical equilibrium are solved to determine the emissivity and opacity. These are then used in the radiative transfer equation to produce the simulated spectral line emission and absorption. This calculation is done in MOLLIE in the same way as if $\bar{J}$ were determined by any other means, for example, by $\Lambda$-iteration. Both the emissivity and opacity depend on frequency through the Doppler shifted line profile function (eqn. 2.14 Kalkofen, 1984) that varies as a function of position in the cloud. We use a line profile function that is the thermal width plus a microturbulent Gaussian broadening of 0.08 km s-1 derived from our CO modeling (Keto & Caselli, 2010). By the approximation of complete frequency redistribution (eqn. 10-39 Mihalas, 1978), both have the same frequency dependence. This also implies that each photon emitted after an absorption event has no memory of the frequency of the absorbed photon. It is emitted with the frequency probability distribution described by the line profile function Doppler shifted by the local velocity along the direction of emission. We also assume complete redistribution in angle. Figure 8 shows the modeled line profile against the observed profile. The VLSR is assumed to be 7.16 kms-1, slightly different than 7.2 kms-1 used in Caselli et al. (2012). The lower value is chosen here as the best fit to the H2O observation. The combination of blue-shifted emission and red-shifted absorption is the inverse P-Cygni profile characteristic of contraction, with the emission and absorption split by the inward gas motion in the front and rear of the cloud. The absorption against the dust continuum is unambiguously from the front side indicating contraction rather than expansion. This profile has also been seen in other molecules in other low-mass cold, dense clouds, with the absorption against the dust continuum (Di Francesco et al., 2001). In L1544, because the inward velocities are below the sound speed, and the H2O line width is just larger than thermal, the emission is shifted with respect to the absorption by less than a line width. In the observations, what appears to be a blue-shifted emission line is just the blue shoulder and wing of the complete emission, most of which is brighter, redder and wider than the observed emission. Our model also shows weaker emission to the red of the absorption line. This emission is from inward moving gas in the front side of the contracting zone. Again most of the emission is absorbed by the envelope and only the blue shoulder of the line is seen. The asymmetry between the red and blue emission comes about because the absorbing envelope, which is on the front side of the cloud, is closer in velocity to inward flowing gas (red) on the front side of the contraction. This is the same effect that produces the blue asymmetric or double-peaked line profiles seen in contraction in molecular lines without such significant envelope absorption (Anglada et al., 1987). The model shows more red emission than is seen in the observations. This red emission may be absorbed by foreground gas that is not in the model. Figure 1 of Caselli et al. (2012) shows additional red shifted absorption in H2O and red shifted emission in CO, both centered around 9 kms-1. The blue wing of this red shifted water line may be absorbing the red wing of the emission from the dense cloud. If L1544 were static, no inward contraction, the emission from the center would be at the same frequency as the envelope. Because of the extremely high optical depth, the absorption line is saturated and would absorb all the emission. We would see only the absorption line. The depth of the absorption line is set by brightness of the dust continuum which is weak (0.011 K) and not by the optical depth of the line which is high (few hundred to a thousand). In the current radiative transfer calculation, we also use a slightly different collisional excitation rate than before. The collisional rates for ortho-H2O are different with ortho and para-H2. In our previous paper (Caselli et al., 2012) we modeled the H2 ortho-to-para ratio as a lower limit 1:1 or higher. Here we assume that almost all the hydrogen, 99.9%, is in the para state. This is suggested by recent chemical models that require a low ortho- to-para ratio to produce the high deuterium fraction observed in cold, dense clouds. (e.g Kong et al., 2013; Sipilä, Caselli & Harju, 2013). ## 3 Interpretation The shape of the line profile (figure 8) is unaffected by any uncertainty in the excitation which scales the emission across the spectrum. The absorption is saturated and does not scale with the excitation. Because of the very high critical density for collisional de-excitation, we know that the line emission is generated only in the densest gas ($>10^{6}$ cm-3) within a few thousand AU of the center. Thus the observation of the inverse P-Cygni profile seen in H2O confirms the model for quasi-hydrostatic contraction with the highest velocities near the center (figure 1). The chemical model requires external UV to create the gas phase water by photodesorption. This confirms the physical model of L1544 as a molecular cloud bounded by a photodissociation region. The UV flux necessarily creates a higher temperature, up to about 100 K at the boundary by photoelectric heating. This helps maintain the pressure balance at the boundary consistent with the model of a BE sphere. ## 4 Uncertainties The comparison of the simulated and observed spectral line involves three models each with multiple parameters. Unavoidably the choice of parameters in any one of the three models affects not only the choice of other parameters in the other two models but also the interpretation. It would be a mistake to focus on the uncertainties in any one of the models to the exclusion of the others. For example, because of the linear relationship between the line brightness, the optical depth, and the opacity, uncertainties in the excitation, pathlength, and abundance, have equal effect on the spectrum. A factor of two uncertainty in the excitation can be compensated by a factor of two in the pathlength or a factor of two in the abundance of H2O. The pathlength is unknown. On the plane of the sky, L1544 has an axial ratio of 2:1, but we are using a spherical model for the cloud. Our rates in the chemical model involve estimation of the surface density of sites for desorption and the covering fraction of water ice on the grains. The latter is assumed to be one even though we know that CO and methane ice, not included in the simple model, make up a significant fraction of the ice mantle. The radiative excitation, parameterized as $\beta$ in the escape probability is also uncertain because of the competing effects of high optical depth and subcritical excitation. On a linear plot, a factor of two difference in the brightness of the simulated and observed spectral line looks to be a damning discrepancy. However, there is at least this much uncertainty in each of the three models and this does not significantly affect the conclusions of the study, namely that the cloud can be modeled as a slowly contracting BE sphere bounded by a photodissociation region with the gas phase water abundance set by grain surface reactions. In this paper, we concentrate on the observation of H2O, but there are also other constraints that define the model. These are both observational and theoretical. In an earlier paper, we showed how observations of CO and N2H+ define the physical model with the two spectral lines giving us information on the outer and inner regions of the cloud respectively. In this regard, the water emission gives us information in the central few thousand AU of the cloud where the density approaches or exceeds the critical density for de- excitation. This small volume of rapid inflow and high density does not much affect the N2H+ spectrum which is generated in a much larger volume, and has no affect at all on the CO spectrum. A successful model for L1544 has to satisfy the constraints of all the data. On the theoretical side, there is an infinite space of combinations of abundance, density, velocity, and temperature that would form models that match the data. Only models that are physically motivated are of interest. It may be tempting to change the abundances, velocities, or densities arbitrarily, but this is unlikely to be a useful exercise giving the infinite possibilities. A successful model for L1544 has to be relevant to plausible theory. There is a natural prejudice for more complex models that in principle contain more details. The goal of our simplified models is to enhance our understanding of the most significant phenomena. In our research on cold, dense clouds, spanning a number of papers, we have developed simplified models for the density and temperature structure, for the dynamics including oscillations, for the CO chemistry, and in this paper simplified models for H2O chemistry and radiative transfer. Each of these models isolates one or a few key physical processes and shows how they generate the observables and operate to control the evolution toward star formation. $\begin{array}[]{cc}\includegraphics[width=234.87749pt]{SpectrumLVG}\end{array}$ Figure 8: Observed spectrum of H2O (1${}_{10}-1_{01}$) (black lines with crosses) compared with modeled spectrum (simple red line) for slow contraction at the time that the central density reaches $1\times 10^{7}$ cm-3. The model structure is shown in figure 1. ## 5 Conclusions A simplified chemical model for cold oxygen chemistry primarily by grain surface reactions is verified by comparing the simulated spectrum of the H2O ($1_{10}-1_{01}$) line against an observation of water vapor in L1544 made with HIFI spectrometer on the Herschel Space Observatory. This model reproduces the observed spectrum of H2O, and also approximates the abundances calculated by a more complete model that includes gas-phase neutral-neutral and ion-neutral reactions. The gas phase water is released from ice grains by ultraviolet (UV) photodesorption. The UV radiation derives from two sources: external starlight and collisions of cosmic rays with molecular hydrogen. The latter may be important deep inside the cloud where the visual extinction is high enough ($>50$ mag) to block out the external UV radiation. Water is removed from the gas phase by photodissociation and freeze-out onto grains. The former is important at the boundary where the UV from external starlight is intense enough to create a photodissociation region. Here, atomic oxygen replaces water as the most abundant oxygen species. In the center where the external UV radiation is completely attenuated, freeze-out is the significant loss mechanism. Time dependent chemistry is not required to match the observations because the time scale for the chemical processes is short compared to the dynamical time scale. The molecular cloud L1544 is bounded by a photodissociation region. The water emission derives only from the central few thousand AU where the gas density approaches the critical density for collisional de-excitation of the water line. In the model of hydrostatic equilibrium, the gas density in the center is rising with decreasing radius more steeply than the abundance of water is decreasing by freeze-out. Thus the water spectrum provides unique information on the dynamics in the very center. The large Einstein A coefficient ($3\times 10^{-3}$ s-1) of the 557 GHz H2O ($1_{10}-1_{01}$) line results in extremely high optical depth, several hundred to a thousand. However, the density ($<10^{7}$ cm-3) and temperature ($<15$ K) are low enough that the line is subcritically excited. 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(1999) van Dishoeck E. F. et al., 1999, in ESA Special Publication, Vol. 427, The Universe as Seen by ISO, Cox P., Kessler M., eds., p. 437 * van Dishoeck, Herbst & Neufeld (2013) van Dishoeck E. F., Herbst E., Neufeld D. A., 2013, Chemical Reviews, 113, 9043 * Viti et al. (2001) Viti S., Roueff E., Hartquist T. W., Pineau des Forêts G., Williams D. A., 2001, A&A, 370, 557 ## Appendix A Cooling by atomic oxygen fine structure lines The fine structures lines of C+ and atomic O are the major coolants in the diffuse ($n<1000$ cm-3), photodissociated gas around the molecular clouds. The more important coolant at temperatures less than 100 K is C+. At higher temperatures, oxygen becomes increasingly important in the energy balance. The reason is that the 63.2 and 145.6 $\mu$m fine structure lines of atomic oxygen have upper states 3P1 and 3P0 that are at 228 K and 326 K above ground, considerably higher than the 92 K of the upper state, 2P3/2 of the 157.6 $\mu$m fine structure line of C+. The cooling by atomic oxygen is simple to model because atomic oxygen is a product of photodissociation and is therefore abundant only in gas with low Av implying gas densities below the critical densities for collisional de- excitation, 6400 and 3400 cm-3 for the 63.2 and 145.6 $\mu$m lines respectively (table 2.7 of Tielens, 2005). At this density, we assume that the optically thin approximation applies. In this case, every collisional excitation to an upper state of the fine structure lines results in spontaneous emission that escapes the cloud and cools the gas, $\Lambda_{\rm O}=n({\rm O})n({\rm H_{2}})(E_{21}C_{21}+E_{20}C_{20})\ \ {\rm ergs}\ {\rm cm}^{-3}\ {\rm s}^{-1}$ (4) where the upward collision rates are, $C_{21}=1.4\times 10^{-8}\frac{g_{1}}{g_{2}}C_{12}\exp{(-E_{21}/kT)}\sqrt{T}\ \ {\rm cm}^{3}{\rm s}^{-1}$ (5) $C_{20}=1.4\times 10^{-8}\frac{g_{0}}{g_{2}}C_{02}\exp{(-E_{20}/kT)}\sqrt{T}\ \ {\rm cm}^{3}{\rm s}^{-1}.$ (6) and the statistical weights are $g_{2}=5$, $g_{1}=3$, and $g_{0}=1$ and the transition energies are $E_{12}/k=228$K and $E_{02}/k=326$K. ## Appendix B Chemistry ### B.1 Freeze-out Molecules freeze onto dust grains, sticking when they collide. This process is easily modeled. We follow Keto & Caselli (2008) to calculate the collision timescale. The time scale for depletion onto dust may be estimated as (Rawlings et al., 1992), $\tau_{on}=(S_{0}R_{dg}n({\rm H_{2}})\sigma V_{T})^{-1}\ {\rm s}$ (7) Here $S_{0}$ is the sticking coefficient, with $S_{0}=1$ meaning that the colliding molecule always sticks to the dust in each collision; $R_{dg}$ is the ratio of the number density of dust grains relative to molecular hydrogen; $\sigma$ is the mean cross-section of the dust grains; and $V_{T}$ is the relative velocity between the grains and the gas. If the grains have a power law distribution of sizes with the number of grains of each size scaling as the -3.5 power of their radii (Mathis, Rumpl & Nordsieck, 1977), then we can estimate their mean cross-section as, $\langle\sigma\rangle=\bigg{(}\int^{a_{2}}_{a_{1}}n(a)da\bigg{)}^{-1}\int^{a_{2}}_{a_{1}}n(a)\sigma(a)da,$ (8) where $a_{1}$ and $a_{2}$ are the minimum and maximum grain sizes. If $a_{1}=0.005$ $\mu$m and $a_{2}=0.3$ $\mu$m, then $\langle\sigma\rangle=3.4\times 10^{-4}$ $\mu{\rm m}^{2}$. Similarly, the ratio of the number densities of dust and gas may be estimated by computing the mean mass of a dust grain and assuming the standard gas-to-dust mass ratio of 100. If the density of the dust is 2 grams cm-3, then the ratio of number densities is $R_{dg}=4\times 10^{-10}$. Consistent with Keto & Caselli (2008), our model has a slightly lower value for the grain cross-section, $1.4\times 10^{-21}$ cm2, than Hollenbach et al. (2009), $\sigma_{h}=2\times 10^{-21}$ cm2. Both values are per hydrogen nucleus (2H2 \+ H). Because the ice forms and desorbs off the grain surfaces, larger values of the average cross-section result in fewer molecules in the gas phase. The actual properties of grains in cold clouds are somewhat uncertain. The relative velocity due to thermal motion is, $V_{T}=\bigg{(}{{8kT}\over{\pi\mu}}\bigg{)}^{1/2},$ (9) where $T$ is the temperature and $\mu$ the molecular weight. The freeze-out rate for species $i$ is, $f_{i}=\tau_{on}^{-1}n(H_{2})\ \ {\rm cm}^{-3}\ {\rm s}^{-1}$ (10) ### B.2 Gas-phase reactions The neutral-neutral molecular and photodissociation reactions are from Tielens & Hollenbach (1985). The reaction rate $k_{1}$ for ${\rm O+H_{2}}\rightarrow{\rm OH+H}$ is, $k_{1}=3.1\times 10^{-13}\ (T/300)^{2.7}\exp{(-3150/T)}\ \ {\rm cm}^{3}\ \ {\rm s}^{-1}$ (11) The reaction $k_{2}$ for ${\rm OH+H_{2}}\rightarrow{\rm H_{2}O+H}$ is, $k_{2}=2.0\times 10^{-12}(T/300)^{1.57}\exp{(-1736/T)}\ \ {\rm cm}^{3}\ \ {\rm s}^{-1}$ (12) OH + H has a rate, $5.3\times 10^{-18}(T/300)^{-5.22}\exp{(-90/T)}.$ (13) All three of these reactions have an activation barrier and are irrelevant at temperatures below 300 K. The photodissociation rate for the destruction of OH and the formation of O is, $P_{1}=3.5\times 10^{-10}G_{0}\exp{(-1.7A_{V})}\ \ {\rm s}^{-1}$ (14) and the rate for the destruction of H2O and formation of OH is, $P_{2}=5.9\times 10^{-10}G_{0}\exp{(-1.7A_{V})}\\\ \ {\rm s}^{-1}.$ (15) The unitless parameter $G_{0}=1$ corresponds to the average local interstellar radiation field in the FUV band (Habing, 1968). $A_{V}$ is the visual extinction. ### B.3 Desorption The desorption rates are from Hollenbach et al. (2009). The total desorption rate includes thermal desorption, photodesorption, and desorption by cosmic rays. We use equation 2 from Hollenbach et al. (2009) for the rate for thermal desorption, $D_{Th}=1.6\times 10^{11}\bigg{(}\frac{E_{i}}{k}\bigg{)}^{1/2}\bigg{(}\frac{m_{H}}{m_{i}}\bigg{)}^{1/2}\exp{\bigg{(}\frac{-E_{i}}{kT_{gr}}\bigg{)}}\ \ {\rm s}^{-1}\ \ {\rm molecule}^{-1}$ (16) where $E_{i}/k$, the adsorption energy is 800, 1300, and 5770 K for O, OH, and H2O respectively, and mi/mH is the weight of the species with respect to H. The thermal desorption rate for water is negligible at the temperatures ($<15$ K) of cold, dense clouds. For the cosmic-ray desorption rate, we use equation 8 from Hollenbach et al. (2009). We include only the cosmic-ray desorption rate for H2O, $D_{CR}=4.4\times 10^{-17}{\rm molecule}^{-1}{\rm s}^{-1}.$ (17) Both the thermal desorption rate and the cosmic ray desorption rate in units of molecule-1 s-1 are multiplied by the number of molecules on the surface of grains per molecule of H2 which is $N_{s}f_{s}A_{gr}R_{dg}$ where $N_{s}=10^{15}$ cm-2 is the number of desorption sites per cm2 on the grain surface (Hollenbach et al., 2009), $f_{s}=1$ is the fraction of the grain surface covered by ice, the average surface area of a grain is 4 times the grain cross-section, $A_{gr}=4\sigma=4\times 3.4\times 10^{-4}$ $\mu$m 2 (Keto & Caselli, 2008), and the dust-to-gas ratio $R_{dg}=4\times 10^{-10}$ (Keto & Caselli, 2008). The photodesorption rates are from equations 6 and 7 (Hollenbach et al., 2009), $D_{UV}=G_{0}F_{0}Y_{i}f_{i}\ \exp{(-1.8A_{V})}\ {\rm s}^{-1}$ (18) where $F_{0}=10^{8}$ is the number of UV photons per Habing flux, and $Y_{i}=10^{-3}$ and $2\times 10^{-3}$ are the photodesorption yields per UV photon per second for the production of OH and H2O respectively from table 1 of Hollenbach et al. (2009). We assume that all the ice is H2O and follow Hollenbach et al. (2009) in assuming that the photodesorption of this water ice results in twice as much OH as H2O in the gas phase. The desorption of water ice does not result in the production of gas phase oxygen, and we have no oxygen ice in our model. To provide a back reaction to the freeze-out of atomic oxygen, we arbitrarily assign a desorption rate equal to that of water. In regions of high extinction ($A_{V}>4$) this results in a gas phase abundance of atomic oxygen that is approximately the same as predicted by Hollenbach et al. (2009). This is $<0.001$ of the total oxygen and has no effect on the other abundances. In the outer part of the cloud where the UV flux is higher ($A_{V}<4$) most of the atomic oxygen derives from photodissociation. Here the UV desorption off grains is insignificant. Additional desorption is caused by the UV photons emitted by hydrogen excitation by energetic electrons released in the ionization of hydrogen by cosmic rays. We follow Shen et al. (2004) and scale this process as $10^{-4}$ of one Habing flux, $G_{0}=1$, so that, $D_{CR\ UV}=\alpha G_{0}F_{0}Y_{i}f_{i}\ {s^{-1}}$ (19) with $\alpha=10^{-4}$. ### B.4 Equilibrium In equilibrium, the rate equations in matrix form are, $\begin{array}[]{lll}\begin{pmatrix}-(f_{O}+k_{1})&P_{1}&0&0\\\ k_{1}&-(f_{OH}+P_{1})&P_{2}&0\\\ 0&k_{2}&-(f_{H_{2}O}+P_{2})&D_{H_{2}O}\\\ f_{O}&f_{OH}&f_{H_{2}O}&-(D_{OH}+D_{H_{2}O})\\\ 1&1&1&1\\\ \end{pmatrix}\begin{pmatrix}O\\\ OH\\\ H_{2}O\\\ ICE\\\ \end{pmatrix}=\begin{pmatrix}0\\\ 0\\\ 0\\\ 0\\\ 1\\\ \end{pmatrix}\end{array}$ where the last row is the conservation equation for oxygen among all the species. As written, this system is overdetermined, but can be solved by dropping any one of the first 4 rows. ### B.5 H2O ortho-para ratio Since the ortho state of H2O is 24K above the para state, the O/P ratio in thermal equilibrium is very small at lower temperatures (equation 41 Hollenbach et al., 2009). However, when the water molecule is formed, created from OH on the grain surface for example, it is formed in the ratio of the available quantum states, ortho:para 3:1. The ortho and para states of H2O equilibrate by collisions with H or H2. If the chemical equilibrium time scale is much shorter than the thermal equilibrium time scale, the O/P ratio will not deviate much from 3:1. Observations generally show ratios close to 3:1 (van Dishoeck, Herbst & Neufeld, 2013). We have not found previous research on the equilibration of H2O, but an appreciation of the time scale can be estimated from previous research on the equilibration of the ortho and para states of molecular hydrogen. The dissociation energies of H-H and OH-H are not too different nor the collisional cross-sections of the molecules. Conrath & Gierasch (1984) and Fouchet, Lellouch & Feuchtgruber (2003) suggest three processes for the equilibration of the ortho and para states of H2 are: (1) gas phase H exchange, (2) gas phase paramagnetic conversion with H2, and (3) H exchange on a surface. We assume that these same processes are applicable to the water. The rates for these processes scale with the gas density through the collision rate and scale as the inverse exponential of the temperature. Scaling the rates for H2 from the conditions in the atmosphere of Jupiter to rarefied, cold gas of the interstellar medium (10 K and $10^{6}$ cm-3) the time scales for these processes are all $>1$ Gyr. In contrast, the chemical time scale is very much shorter (figure 5) throughout the cloud. In this model, water is dissociated in the gas phase by photodissociation and also coming off the grain surfaces by photodesorption in which gas phase OH is produced twice as often as gas phase H2O. The equilibrium comparison between ortho-para equilibration and chemistry may not be needed because the equilibration time scale exceeds the expected life times of the cold, dense, clouds.
arxiv-papers
2014-03-02T03:07:56
2024-09-04T02:49:59.146348
{ "license": "Public Domain", "authors": "Eric Keto, Jonathan Rawlings, Paola Caselli", "submitter": "Eric Keto", "url": "https://arxiv.org/abs/1403.0155" }
1403.0177
# Vector-valued Hilbert transforms along curves Guixiang Hong1 and Honghai Liu2∗ 1School of Mathematics and Statistics, Wuhan University, Wuhan 430072, China and Instituto de Ciencias Matemáticas, CSIC- UAM-UC3M-UCM, Consejo Superior de Investigaciones Científicas, C/ Nicolás Cabrera 13-15. 28049, Madrid, Spain. [email protected] 2 School of Mathematics and Information Science, Henan Polytechnic University, Jiaozuo, Henan 454003, China. [email protected] (Date: Received: xxxxxx; Revised: yyyyyy; Accepted: zzzzzz. ∗ Corresponding author) ###### Abstract. In this paper, we show that Hilbert transforms along some curves are bounded on $L^{p}({\mathbb{R}}^{n};X)$ for some $1<p<\infty$ and some UMD spaces $X$. In particular, we prove that Hilbert transforms along some curves are completely $L^{p}$-bounded in the terminology from operator space theory. Moreover, we obtain the $L^{p}(\mathbb{R}^{n};X)$-boundedness of anisotropic singular integrals by using the ”method of rotations” of Calderón-Zygmund. All these results extend already existing related ones. ###### Key words and phrases: Hilbert transforms along curves, Weighted Hörmander condition, UMD spaces, Completely bounded, Analytic interpolation. ###### 2010 Mathematics Subject Classification: Primary 43A32; Secondary 46B99. ## 1\. Introduction The question of whether the mapping properties of singular integral operators could be extended to the Lebesgue-Bôhner spaces $L^{p}(\mathbb{R}^{n};X)$ ($1<p<\infty$) of vector-valued functions was taken up by several authors in the 60’s. In [1], Benedek, Calderón and Panzone observed that the boundedness on $L^{p_{0}}(\mathbb{R}^{n};X)$ for one $1<p_{0}<\infty$ of a singular integral operator, together with Hörmander’s condition, implies its boundedness on $L^{p}(\mathbb{R}^{n};X)$ for all $1<p<\infty$. However, to actually get the $L^{p_{0}}(\mathbb{R}^{n};X)$-boundedness (something that was immediate for $p_{0}=2$ in the scalar-valued), turned out to be a significantly difficult task except in the case $X=L^{p_{0}}(\Omega)$ for some measure space $\Omega$. The first progress made in this direction is Burkholder’s extension [3] of Riesz’s classical theorem on the $L^{p}$-boundedness of the Hilbert transform, where it was shown that if the underlying Banach space $X$ satisfies the so called UMD-property, then the Hilbert transform is bounded on $L^{p}(\mathbb{R};X)$ for any $1<p<\infty$. Moreover, the UMD-property was shown by Bourgain [2] to be necessary for the boundedness of the Hilbert transform. It is well-known that the Hilbert transform is a prototype of singular integral operators and Fourier multipliers, its boundedness motivates McConnell’s [17] and Zimmermann’s [28] results on vector-valued Marcinkiewicz- Mihlin multipliers, and Hytönen and Weis’s [12] results on vector-valued singular convolution integrals. Particularly, if $X$ equals $S_{p}$–the Schatten class, the $L^{p}(\mathbb{R}^{n};S_{p})$-boundedness is called complete $L^{p}$-boundedness in the light of noncommutative harmonic analysis. In this setting, the complete $L^{2}$-boundedness is immediately available because $S_{2}$ is a Hilbert space, and the Fourier transform (or almost orthogonality principle) can be adapted. In order to obtain the complete $L^{p}$-boundedness, so far as we know in the noncommutative harmonic analysis, there are only two ways. One way is to establish firstly the weak type $(1,1)$ estimate, and then to use interpolation and the duality argument. In this way, the convolution kernel need to satisfy the Lipschitz regularity in order to conduct the pseudo-localization principle as done in [21] (see also [10] for related results). The other way is to get $(L^{\infty},BMO)$ (the noncommutative BMO space) estimate, then to use interpolation and the duality argument. In this case, the kernel is required to satisfy the Hörmander’s condition as done in [18] and [15]. However, to get the complete $L^{p}$-boundedness is not a trivial work when the kernel does not satisfy the Lipschitz regularity and the Hörmander condition, see e.g. [9] for more information. The purpose of our project is to extend the vector-valued singular integrals theory to more general setting. We consider vector-valued singular Radon transforms, which are given by the following principal-valued integral $\mathscr{T}f(x)={\rm p.v.}\int_{\mathbb{R}^{k}}f(x-\Gamma(t))K(t)dt,\ \ f\in C_{0}^{\infty}({\mathbb{R}}^{n})\otimes X,$ where $X$ is a Banach space, $K$ is a Calderón-Zygmund kernel in $\mathbb{R}^{k}$ and $\Gamma:\mathbb{R}^{k}\rightarrow{\mathbb{R}}^{n}$ is a surface in ${\mathbb{R}}^{n}$ with $\Gamma(0)=0$, $n\geq 2$. Precisely, we are interested in the boundedness of $\mathscr{T}$ on $L^{p}(\mathbb{R}^{n};X)$, where $p\in(1,\infty)$ and $X$ is some Banach space. Obviously, $\mathscr{T}$ are classical vector-valued singular convolution integrals if $k=n$ and $\Gamma(t)=(t_{1},t_{2},\cdots,t_{n})$, and related results have been introduced in the previous paragraphs. On the other hand, if $X=\mathbb{R}$, $\mathscr{T}$ are classical singular integrals associated to surfaces, which have been well-studied by Stein, Nagel, Wainger, Christ and so on, see [27] for a survey of results through 1978 and [6] through 1999. In the present paper, we start with the investigation of Hilbert transforms along curves in the hope of providing the insight and inspiration for subsequent development of this subject, as the role played by the classical Hilbert transform in the classical vector-valued Calderón-Zygmund theory. Vector-valued Hilbert transforms along curves are defined by $\mathscr{H}f(x)={\rm p.v.}\int_{\mathbb{R}}f\big{(}x-\Gamma(t)\big{)}\frac{dt}{t},\ \ f\in C_{0}^{\infty}({\mathbb{R}}^{n})\otimes X.$ In the scalar-valued case, the $L^{2}$-boundedness goes back the work [7] of Fabes who proved it with $\Gamma(t)=(t^{\alpha},t^{\beta})$ using complex integration. Then Stein and Wainger [26] obtained the $L^{2}$-boundedness for all homogeneous curves by using Van der Corput’s estimates for trigonometric integrals. The first breakthrough was the proof of the $L^{p}$-boundedness in the papers of Nagel, Rivière and Wainger [19] as well as the paper of Nagel and Wainger [20] using Stein’s complex interpolation. Since then, many related results have been obtained, see Stein and Wainger’s survey paper [27] for the curves having some curvature at the origin, the paper of Carlsson et al [5] and the references therein for the flat curves in $\mathbb{R}^{2}$. However, all results about vector-valued singular integrals mentioned previously can not be directly applied to Hilbert transforms along curves on $L^{p}(\mathbb{R}^{n};X)$, because they are no longer Calderón-Zygmund operators. Therefore this study is a move beyond the vector-valued Calderón- Zygmund theory. In the present paper, we extend Nagel, Rivière and Wainger as well as Nagel and Wainger’s results mentioned above to the vector-valued setting by combining their original arguments and some idea developed recently by Hytönen and Weis [14] in the vector-valued Calderón-Zygmund theory. To state our results, we need to recall and introduce some notations. Denote by $\epsilon_{j}$, $j\in\mathbb{Z}$, the Rademacher system of independent random variables on a probability space $(\Omega,\Sigma,\mathbf{P})$ verifying $\mathbf{P}(\epsilon_{j}=1)=\mathbf{P}(\epsilon_{j}=-1)=1/2$. Let $\mathbb{E}=\int(\cdot)d\mathbf{P}$ be the corresponding expectation. The main Banach space geometry property of $X$ we are concerned in this paper is the UMD property (see e.g. [3]), i.e. the following inequality holds: $\big{(}\mathbb{E}\big{\|}\sum_{k=1}^{N}\epsilon_{k}d_{k}\big{\|}_{X}^{2}\big{)}^{1/2}\leq C\big{(}\mathbb{E}\big{\|}\sum_{k=1}^{N}d_{k}\big{\|}_{X}^{2}\big{)}^{1/2}$ for all $N\in\mathbb{N}$, all fixed signs $\epsilon_{k}\in\\{-1,1\\}$, all $X$-valued martingale differences $(d_{k})_{k\geq 0}$. The following notation is very useful for formulating the main results in this paper. ###### Definition 1.1. Let $(a,b)\subseteq(0,1)$. We define $\mathcal{I}_{(a,b)}$ to be the set consisting of UMD spaces with its element $X$ having the form $X=[H,Y]_{\theta}$ such that $\theta\in(a,b)$, $H$ is a Hilbert space and $Y$ is another UMD space. $\mathcal{I}_{(0,1)}$ is denoted by $\mathcal{I}$ for simplicity. ###### Remark 1.2. (i). It is easy to check that all the noncommutative $L_{p}$ spaces (containing commutative $L^{p}$ spaces) with $1<p<\infty$ belong to the class $\mathcal{I}_{(|1-\frac{2}{p}|,1)}$. From the reflexivity of UMD space, in general we have $X\in\mathcal{I}_{(a,b)}$ if and only if $X^{\ast}\in\mathcal{I}_{(a,b)}$. Furthermore, if $(a,b)\subseteq(c,d)\subseteq(0,1)$, then $\mathcal{I}_{(a,b)}\subseteq\mathcal{I}_{(c,d)}$. (ii). In [23], Rubio de Francia proved that for any UMD lattice $X$ there exist $\theta\in(0,1)$, a Hilbert space $H$ and another UMD lattice $Y$ such that $X=[H,Y]_{\theta}$. That means every UMD lattice $X$ belongs to $\mathcal{I}$. In the same paper, the author also ask the open question “Is every $B\in UMD$ intermediate between a ’worse’ $B_{0}$ and a Hilbert spaces ?” which in our language means “If $\mathcal{I}$ contains all UMD spaces?”. The first result is on the Hilbert transform along the homogeneous curves $\Gamma(t)=(|t|^{\alpha_{1}}sgnt,|t|^{\alpha_{2}}sgnt,\cdots,|t|^{\alpha_{n}}sgnt)$ with each $\alpha_{i}>0$. ###### Theorem 1.3. Let $X\in\mathcal{I}$ and $1<p<\infty$. Then there exists an absolute constant $C_{p}$ such that $\|\mathscr{H}f\|_{L^{p}(X)}\leq C_{p}\|f\|_{L^{p}(X)},\ \ f\in{L^{p}(\mathbb{R}^{n};X)}.$ This is a vector-valued version of Theorem 1 of Nagel, Rivière and Wainger in [19]. Following the previous remark, Theorem 1.3 implies the complete boundedness of Hilbert transforms along this kind of curves which is of independent interest in the operator space theory. This result also partially generalize the previous result by Rubio de Francia, Ruiz and Torra [22] where they obtained Theorem 1.3 in the case $X=\ell^{q}$ with $1<q<\infty$. In [22], the authors used indirectly Benedek, Calderón and Panzone’s strategy mentioned previously. While the proof of Theorem 1.3 is motivated by the recent development in the vector-valued Calderón-Zygmund theory [12], see Section 2 for related details. Let $\delta_{t}$ be a one parameter group of dilations and $\mathbf{e},\mathbf{f}$ be vectors in $\mathbb{R}^{n}$. A curve $\Gamma(t)$ is called two-sided homogeneous if the following two conditions hold: $\Gamma(t)=\left\\{\begin{array}[]{ccc}\delta_{t}\ \mathbf{e},&t>0,\\\ \delta_{-t}\ \mathbf{f},&t<0,\\\ 0,&t=0;\end{array}\right.$ (1.1) $\\{\xi|\xi\cdot\Gamma(t)\equiv 0,t>0\\}=\\{\xi|\xi\cdot\Gamma(t)\equiv 0,t<0\\}.$ The curve $\Gamma(t)=(|t|^{\alpha_{1}}sgnt,|t|^{\alpha_{2}}sgnt,\cdots,|t|^{\alpha_{n}}sgnt)$ is a model with $\delta_{t}x=(t^{\alpha_{1}}x_{1},t^{\alpha_{2}}x_{2},\cdots,t^{\alpha_{n}}x_{n})$, $\mathbf{e}=\mathbf{1}$ and $\mathbf{f}=-\mathbf{1}$. We will see that the same argument for this particular curve works for all the curves with the same dilation but $\mathbf{e}=-\mathbf{f}$. Generalization of Theorem 1.3 to all two-sided homogeneous curves in turn motivates us to consider the vector- valued Calderón-Zygmund theory associated to one parameter group of dilations, which is a project under progress. As an application, Theorem 1.3 is used to deal with vector-valued anisotropic singular integrals with homogeneous kernel by Calderón-Zygmund’s rotation method. This work improves Hytönen’s Theorem 5.2 in [11] in some sense, see Section 3 for more details. In the next result, we deal with certain convex curves in $\mathbb{R}^{2}$ with the form $\Gamma(t)=\big{(}t,\gamma(t)\big{)}$, $\gamma(t)$ is some convex function for $t\geq 0$. ###### Theorem 1.4. Let $X$ be an UMD lattice belonging to the class $I_{(0,\frac{1}{5})}$, $\gamma(t)$ be a continuous odd function, twice continuously differentiable, increasing and convex for $t\geq 0$. Suppose also that $\gamma^{\prime\prime}$ is monotone for $t>0$ and there exists $C>0$ so that $\gamma^{\prime}(t)\leq Ct\gamma^{\prime\prime}(t)$ for $t>0$. Then for $\frac{5}{3}<p<\frac{5}{2}$, there exists an absolute constant $C_{p}$ such that $\|\mathscr{H}f\|_{L^{p}(X)}\leq C_{p}\|f\|_{L^{p}(X)},\ \ f\in{L^{p}(\mathbb{R}^{n};X)}.$ A large class of functions $\gamma(t)$ satisfy the conditions in Theorem 1.4, such as $\gamma(t)=sgn(t)|t|^{\alpha},\ (\alpha\geq 2)\quad\textrm{and}\quad\gamma(t)=te^{-1/|t|}.$ The first one is homogeneous, while another one does not have any homogeneity. This result is a vector-valued extension of Theorem 3.1 of Nagel and Wainger in [20]. Theorem 1.4 also generalizes the second author’s result [16] in the case $X=\ell^{q}$ with $5/3<q<5/2$. The proof of Theorem 1.4 is again motivated by the recent development of the vector-valued Calderón-Zygmund theory [14]. In fact, in Section 4, we prove a more general version, i.e. Theorem 1.4 is also true if $X$ satisfies the following weaker condition: there exist $\theta\in(0,\frac{1}{5})$, Hilbert space $H$ and UMD space $Y$ with property $(\alpha)$ (recalled in Section 4) such that $X=[H,Y]_{\theta}$. ## 2\. Proof of Theorem 1.3 The main arguments in this section are from [27], we will repeat some results for completeness. Before the proof, we need some notations. Let matrix $A=diag(\alpha_{1},\alpha_{2},\cdots,\alpha_{n})$, then $\Gamma^{\prime}(t)=A\Gamma(t)/t$ for $t>0$. We also define a norm function $\rho(x)$ by the unique positive solution of $\sum^{n}_{i=1}x^{2}_{i}\rho^{-2\alpha_{i}}=1$ and $\rho(0)=0$. This definition was introduced in the pioneering work on anisotropic singular integrals of Fabes [7]. Obviously, $\rho(\delta_{t}x)=t\rho(x)$ for $t>0$, $\rho(x)=1$ if and only if the Euclidean norm $|x|=1$ which means $x$ is on the unit sphere ${\mathbf{S}}^{n-1}$. See also Proposition 1-9 in [27] for more properties of $\rho$. By a change of variables, we assume $\alpha_{1}=1$ and $\alpha_{i}\geq 1$ for $2\leq i\leq n$, and set $\Delta=\alpha_{1}+\alpha_{2}+\cdots+\alpha_{n}$. Without lost of generality, we assume that $\alpha_{i}\neq\alpha_{j}$ when $i\neq j$, then $\Gamma(t)$ does not lie in a proper subspace of $\mathbb{R}^{n}$. If not, $\Gamma$ lies in some proper subspace, then the argument of Stein and Wainger in [27, pp.1262] implies our desired result. For $z\in\mathbb{C}$, we define an analytic family of operators ${\mathscr{H}}_{z}$ by $\widehat{\mathscr{H}_{z}f}(\xi)=\\{\rho(\xi)\\}^{z}m_{z}(\xi)\hat{f}(\xi),$ where $m_{z}$ are given by $m_{z}(\xi)={\rm p.v.}\int_{\mathbb{R}}e^{-2\pi i\xi\cdot\Gamma(t)}|t|^{z}\frac{dt}{t}.$ Obviously, ${\mathscr{H}}_{0}$ is our original operator $\mathscr{H}$. As in [27], the desired result will be concluded by analytic interpolation once we show the following two estimates: For Hilbert space $H$ $\big{\|}{\mathscr{H}}_{z}f\big{\|}_{L^{2}({\mathbb{R}}^{n};H)}\leq C(z)\big{\|}f\big{\|}_{L^{2}(\mathbb{R}^{n};H)},$ (2.1) where $-1<Re(z)\leq\sigma$ for some $\sigma>0$ and $C(z)$ grows at most polynomially in $|z|$, and for UMD space $Y$ $\|\mathscr{H}_{z}f\|_{L^{p}(\mathbb{R}^{n};Y)}\leq C(z,p)\|f\|_{L^{p}(\mathbb{R}^{n};Y)},\ \ 1<p<\infty,$ (2.2) where $-\beta\leq Re(z)\leq-\eta$ for arbitrarily positive $\eta$ and some positive $\beta$ as well as $C(z,p)$ grows at most as fast as a polynomial in $|z|$ for fixed $\eta$. Indeed, we obtain Theorem 1.3 by performing twice the analytic interpolation argument in [25] as follows. Let $T_{z}f(x)=e^{z^{2}}{\mathscr{H}}_{z}f(x)$. Note that $|e^{z^{2}}|=e^{Re(z)^{2}-Im(z)^{2}}$, then by (2.1) there exists a constant $M_{0}$ which is independent of $Im(z)$ such that $\big{\|}T_{z}f\big{\|}_{L^{2}(\mathbb{R}^{n};H)}\leq C(z)e^{-Im(z)^{2}}\big{\|}f\big{\|}_{L^{2}(\mathbb{R}^{n};H)}\leq M_{0}\big{\|}f\big{\|}_{L^{2}(\mathbb{R}^{n};H)}$ (2.3) when $-1<{\rm Re}(z)<\sigma$. Also, for any UMD space $Y$ and $q\in(1,\infty)$, by (2.2) there exists a constant $M_{1}$ which is independent of $Im(z)$ such that $\big{\|}T_{z}f\big{\|}_{L^{q}(\mathbb{R}^{n};{Y})}\leq M_{1}\big{\|}f\big{\|}_{L^{q}(\mathbb{R}^{n};{Y})}\quad when\ \ -\beta<{\rm Re}(z)<0.$ (2.4) Obviously, this inequality holds in particular with $Y=H$. For $1<p<\infty$, we choose $\theta_{1}\in(0,1)$, $\sigma_{1}<0$, $0<\sigma_{0}<\sigma$ and $q_{1}\in(1,\infty)$ such that $\sigma_{0}(1-\theta_{1})+\sigma_{1}\theta_{1}=:\sigma_{2}>0,\ \frac{1}{p}=\frac{1-\theta_{1}}{2}+\frac{\theta_{1}}{q_{1}}.$ Interpolating between (2.3) and (2.4) with $Y=H$, we have $\big{\|}T_{z}f\big{\|}_{L^{p}(\mathbb{R}^{n};H)}\leq C(p,z)\big{\|}f\big{\|}_{L^{p}(\mathbb{R}^{n};H)}\quad when\ \ {\rm Re}(z)=\sigma_{2}>0.$ (2.5) Note that $X=[H,Y]_{\theta}$ for some Hilbert space $H$, UMD space $Y$ and $\theta\in(0,1)$. For fixed $\theta$, we choose $\sigma_{3}<0$ such that $0=(1-\theta){\sigma_{2}}+\theta\sigma_{3}.$ In the same way, interpolating between (2.5) and (2.4) with $q=p$, we obtain $\|\mathscr{H}f\|_{L^{p}(\mathbb{R}^{n};X)}=\|T_{0}f\|_{L^{p}(\mathbb{R}^{n};X)}\leq C\|f\|_{L^{p}(\mathbb{R}^{n};X)}.$ The estimate (2.1) is trivial since Plancherel’s theorem remains true for Hilbert space valued functions and the original arguments for Lemma 4.2 in [27] work here. The novelty of the proof lies in the proof of (2.2). In the case $Y=\ell^{q}$ with $1<q<\infty$, it has been proved in (2.2) in [22] by Benedek, Calderón and Panzone’s argument since $L^{q}(\ell^{q})$-boundedness is trivial. For general UMD space, we shall follow Hytönen and Weis’s idea [14] established recently to prove the $L^{p}(Y)$ estimates simultaneously for all $1<p<\infty$. The following subsection is devoted to the proof of estimate (2.2). ### 2.1. The proof of (2.2) The following proof is essentially the same as [11], we include it here for the sake of completeness. From Lemma 4.4 of [27], we can write that $\mathscr{H}_{z}f(x)=K_{z}\ast f(x),$ where $K_{z}(x)=\int_{\mathbb{R}}h_{z}(x-\Gamma(t))|t|^{z}\frac{dt}{t}\ \text{and}\ \ \hat{h}_{z}(\xi)=\\{\rho(\xi)\\}^{z}.$ It is known that $h_{z}$ is a locally integrable function, $C^{\infty}$ away from the origin satisfying $h_{z}(\delta_{\lambda}x)=\lambda^{-\Delta-z}h_{z}(x),\;\lambda>0,\;x\neq 0.$ Moreover, each derivative of $h_{z}(x)$ is bounded by a polynomial in $|z|$, if $\rho(x)=1$. In particular, $K_{z}$ has the homogeneity property $\lambda^{\Delta}K_{z}\big{(}\delta_{\lambda}x\big{)}=K_{z}(x)$. Let $\hat{\mathcal{D}}_{0}(\mathbb{R}^{n})=\\{\psi\in\mathscr{S}(\mathbb{R}^{n})|\ \hat{\psi}\in\mathscr{D}(\mathbb{R}^{n}),0\notin supp\ \hat{\psi}\\}$. Let $\eta\in\mathcal{D}(\mathbb{R}^{n})$ have range $[0,1]$, vanish for $\rho(\xi)\geq 2$ and equal $1$ for $\rho(\xi)\leq 1$. For $j\in\mathbb{Z}$, we define $\hat{\phi}_{0}(\xi)=\eta(\xi)-\eta(\delta_{2}\xi)$, $\hat{\varphi}_{j}(\xi)=\hat{\phi}_{0}(\delta_{2^{-j}}\xi)$ and $\hat{\chi}_{j}(\xi)=\hat{\phi}_{j-1}(\xi)+\hat{\phi}_{j}(\xi)+\hat{\phi}_{j+1}(\xi)$. Then $\hat{\varphi}_{j}(\xi)$ is supported in the annulus $\\{2^{j-1}\leq\rho(\xi)\leq 2^{j+1}\\}$, and $\displaystyle\sum_{j}\hat{\varphi_{j}}(\xi)=1\ \ \text{for}\ \ \xi\neq 0.$ (2.6) Moreover, since $\hat{\chi}_{j}$ equals 1 on the support of $\hat{\phi}_{j}$, we have $\displaystyle\phi_{j}=\phi_{j}\ast\chi_{j}\ast\chi_{j}.$ (2.7) The estimate (2.2) will be deduced from the following key estimate which will be shown in the next subsection. ###### Proposition 2.1. Let $\phi_{0}$ and $K_{z}$ be defined as above. We have $\displaystyle\int_{\mathbb{R}^{n}}|\phi_{0}\ast K_{z}(x)|\log^{n}(e+\rho(x))dx\leq C(z).$ With above preparations at hand, we finish the proof of the estimate (2.2). ###### Proof. For fixed $z$, we denote $K_{z}$ by $K$ for simplicity. Given $f\in\hat{\mathcal{D}}_{0}(\mathbb{R}^{n})\otimes Y$, $g\in\hat{\mathcal{D}}_{0}(\mathbb{R}^{n})\otimes Y^{*}$, by (2.6) and (2.7), we have $\displaystyle\langle g,K\ast f\rangle$ $\displaystyle=\langle\tilde{K}\ast g,f\rangle=\sum_{j}\langle\phi_{j}\ast\tilde{K}\ast(\chi_{j}\ast g),\chi_{j}\ast f\rangle,$ where the summation is finite and $\tilde{K}(x)=K(-x)$. Changing variable and using the fact $\lambda^{\Delta}K_{z}(\delta_{\lambda}x)=K_{z}(x)$, $(\phi_{j}\ast\tilde{K})\ast(\chi_{j}\ast g)(x)=\int_{\mathbb{R}^{n}}\phi_{0}\ast\tilde{K}(y)(\chi_{j}\ast g)(x-\delta_{2^{-j}}y)dy.$ Hence, by Hölder’s inequality and the Khintchine-Kahane inequality $\displaystyle\big{|}\langle g,K\ast f\rangle\big{|}=\big{|}\int_{\mathbb{R}^{n}}\mathbb{E}\langle\sum_{j}\epsilon_{j}\chi_{j}\ast g(\cdot-\delta_{2^{-j}}y),\sum_{i}\epsilon_{i}\phi_{0}\ast K(y)\chi_{i}\ast f\rangle dy\big{|}$ $\displaystyle\leq\int_{\mathbb{R}^{n}}\mathbb{E}\|\sum_{j}\epsilon_{j}\chi_{j}\ast g(\cdot-\delta_{2^{-j}}y)\|_{L^{p^{\prime}}(Y^{*})}\mathbb{E}\|\sum_{i}\epsilon_{i}\chi_{i}\ast f\|_{L^{p}(Y)}|\phi_{0}\ast K(y)|dy.$ It is easy to check that $m=\sum_{j}\epsilon_{j}\hat{\chi}_{j}$ is an anisotropic multiplier. Hence, by Theorem 3 in [11], we have $\displaystyle\|\sum_{j}\epsilon_{j}\chi_{j}\ast f\|_{L^{p}(\mathbb{R}^{n};Y)}\leq C_{p,X}\|f\|_{L^{p}(\mathbb{R}^{n};Y)}.$ (2.8) By Proposition 2.1 and (2.8), we shall finish the proof by showing $\displaystyle\mathbb{E}\|\sum_{j}\epsilon_{j}\chi_{j}\ast g(\cdot-\delta_{2^{-j}}y)\|_{L^{p^{\prime}}(Y^{*})}\leq C\log^{n}(e+\rho(y))\mathbb{E}\|\sum_{j}\epsilon_{j}\chi_{j}\ast g\|_{L^{p^{\prime}}(Y^{*})}.$ Let $e_{i}$ be the $i$-th standard unit vector. Above estimate is just a $n$-fold application of $\displaystyle\mathbb{E}\|\sum_{j}\epsilon_{j}\chi_{j}\ast g(\cdot-\delta_{2^{-j}}y_{i}e_{i})\|_{L^{p^{\prime}}(Y^{*})}\leq C\log(e+\rho(y))\mathbb{E}\|\sum_{j}\epsilon_{j}\chi_{j}\ast g\|_{L^{p^{\prime}}(Y^{*})},$ which follows from Lemma 10 of Bourgain [2]. ∎ ### 2.2. The proof of Proposition 2.1 The proof of Proposition 2.1 is based on the following two lemmas. The first one states that the kernel $K_{z}$ satisfies a weighted Hörmander condition, which will be verified at the end of this subsection. ###### Lemma 2.2. If $-\beta\leq Re(z)\leq-\eta$, then for sufficiently large constants $C_{0}$ and $C_{1}(z)$, we have $\displaystyle\int_{\rho(x)\geq C_{0}\rho(y)}|K_{z}(x-y)-K_{z}(x)|\log^{n}(e+\rho(x))dx\leq C_{1}(z)\log^{n}(e+\rho(y))$ (2.9) for any $y\in\mathbb{R}^{n}\setminus\\{0\\}$. Moreover, $C_{1}(z)$ grows at most as fast as a polynomial in $|z|$ for a fixed $\eta$. The second lemma is a kind of decomposition lemma which has been established in Lemma 4.10 of [14]. We reformulate it in our anisotropic case. ###### Lemma 2.3. Let $\varphi\in\mathscr{S}(\mathbb{R}^{n})$ with vanishing integral. Then there exists a decomposition $\varphi=\sum_{m\geq 0}\psi_{m}$ with the following properties: $\displaystyle\psi_{m}\in\mathcal{D}(\mathbb{R}^{n}),\;\mathrm{supp}\psi_{m}\subseteq\\{x|\ \rho(x)\leq C2^{\alpha m}\\},\;\int_{\mathbb{R}^{n}}\psi_{m}(y)dy=0,$ where $C$ and $\alpha$ are two universal constants only depending on the norm $\rho$ and the dimension $n$, and for every $p\in[1,\infty]$ and every $M>0$, the sequence of Lebesgue norms $\|\psi_{m}\|_{L^{p}}$, as well as $\|\hat{\psi}_{m}\|_{L^{p}}$, is $\mathcal{O}(2^{-mM})$ as $m\rightarrow\infty$. ###### Proof. Let us give a quick explanation of this lemma. From Lemma 4.10 of [12], $\psi_{m}$ is supported in $\\{x|\ |x|\leq 2^{m}\\}$. Fix $x\in\\{x|\ |x|\leq 2^{m}\\}$, by Proposition 1-9 of [27], if $\rho(x)\geq 1$, then $\rho(x)\leq c_{1}|x|^{\alpha_{1}}\leq c_{1}2^{a_{1}m}$ and if $\rho(x)\leq 1$, then $\rho(x)\leq c_{2}|x|^{a_{2}}\leq c_{2}2^{a_{2}m}$ with $c_{1},c_{2},a_{1},a_{2}$ positive constants. We obtain the desired result by choosing $C=\max\\{c_{1},c_{2}\\}$ and $\alpha=\max\\{a_{1},a_{2}\\}$. ∎ ###### Proof of Proposition 2.1. The main idea comes from [12], we include most details here for completeness. By Lemma 2.3, we write $\phi_{0}=\sum_{m\geq 0}\psi_{m}$ with $\psi_{m}$’s satisfying the properties stated in that lemma. Then we decompose $K_{z}$ into pieces $K_{z,m}(x)=K_{z}\ast\psi_{m}(x)$ and estimate each of them respectively. We first estimate the integral outside the larger ellipsoid $\mathcal{B}_{1}=\\{x|\ \rho(x)\leq CC_{1}2^{\alpha m}\\}$ with $C_{1}$ fixed later depending on $C_{0}$. Recall that $\psi_{m}$ is supported in the ellipsoid $\mathcal{B}_{0}=\\{x|\ \rho(x)\leq C2^{\alpha m}\\}$ and the integral of $\psi_{m}$ vanishes, by Fubini’s theorem and Lemma 2.2, we obtain $\displaystyle\int_{\mathcal{B}_{1}^{c}}|K_{z,m}(x)|\log^{n}(e+\rho(x))dx$ $\displaystyle=\int_{\mathcal{B}_{1}^{c}}|\int_{\mathcal{B}_{0}}K_{z}(x-y)\psi_{m}(y)dy|\log^{n}(e+\rho(x))dx$ $\displaystyle\leq\int_{\mathcal{B}_{0}}\int_{\rho(x)\geq C_{0}\rho(y)}|K_{z}(x-y)-K_{z}(x)|\log^{n}(e+\rho(x))dx\psi_{m}(y)dy$ $\displaystyle\leq C_{1}(z)\int_{\mathcal{B}_{0}}\log^{n}(e+\rho(y))\psi_{m}(y)dy\leq C_{1}(z)\|\psi_{m}\|_{L^{\infty}}\int_{\mathcal{B}_{0}}\log^{n}(e+\rho(y))dy.$ By Lemma 2.3, the last quantity is of order $\mathcal{O}(2^{-m})$ as $m\rightarrow\infty$ since $\|\psi_{m}\|_{L^{\infty}}\leq C_{M}2^{-mM}$ for $M>0$ while $\int_{\mathcal{B}_{0}}\log^{n}(e+\rho(y))dy\leq C2^{mN}$ for a fixed $N$. Inside the ellipsoid $\mathcal{B}_{1}$, the computation is easier because of the fact $\|\hat{K}_{z}\|_{L^{\infty}}\leq C(z)$, then $\displaystyle\int_{\mathcal{B}_{1}}|K_{z,m}(x)|$ $\displaystyle\log^{n}(e+\rho(x))dx\leq\|K_{z,m}\|_{L^{\infty}}\int_{\mathcal{B}_{1}}\log^{n}(e+\rho(x))dx$ $\displaystyle\leq\int_{\mathcal{B}_{1}}\log^{n}(e+\rho(x))dx\|\hat{K}_{z,m}\|_{L^{1}}$ $\displaystyle=\int_{\mathcal{B}_{1}}\log^{n}(e+\rho(x))dx\int_{\mathbb{R}^{n}}|\hat{K}_{z}(\xi)\hat{\psi}_{m}(\xi)|d\xi$ $\displaystyle\leq\|\hat{K}_{z}\|_{L^{\infty}}\|\hat{\psi}_{m}\|_{L^{1}}\int_{\mathcal{B}_{1}}\log^{n}(e+\rho(x))dx\leq C(z)2^{-m}.$ The last inequality holds due to the same reason that for the case outside the ellipsoid. Finally, we obtain Proposition 2.1 by summing over $m$. ∎ To complete the proof of Proposition 2.1, we still need to show Lemma 2.2. ###### Proof of Lemma 2.2. We follow the main sketch provided in [27], but improve related estimates. To verify $K_{z}$ satisfying (2.9), we may assume that $\rho(y)=1$, it suffices to prove that $\int_{\rho(x)\geq C_{0}}|K_{z}(x-y)-K_{z}(x)|\log^{n}\big{(}e+\rho(x)\big{)}dx\leq C(z).$ (2.10) In fact, we set $\lambda=\rho(y)$ and $y^{\prime}=y/\lambda$. Obviously, $\rho(y^{\prime})=1$. By a linear transformation $x=\delta_{\lambda}x^{\prime}$ and the homogeneity of $K_{z}$, we have $\displaystyle\int_{\rho(x)\geq C_{0}\rho(y)}|K_{z}(x-y)-K_{z}(x)|\log^{n}\big{(}e+\rho(x)\big{)}dx$ $\displaystyle=$ $\displaystyle\int_{\rho(x^{\prime})\geq C_{0}}|K_{z}(x^{\prime}-y^{\prime})-K_{z}(x^{\prime})|\log^{n}\big{(}e+\lambda\rho(x^{\prime})\big{)}dx^{\prime}.$ If $\lambda=\rho(y)\geq 6$, it is trivial that $\log\big{(}e+\lambda\rho(x^{\prime})\big{)}\leq\log\big{(}e+\lambda\big{)}+\log\big{(}e+\rho(x^{\prime})\big{)}\leq\log\big{(}e+\lambda\big{)}\log\big{(}e+\rho(x^{\prime})\big{)},$ where we use the assumption that $C_{0}\geq 6$. Then, $\displaystyle\int_{\rho(x)\geq C_{0}\rho(y)}|K_{z}(x-y)-K_{z}(x)|\log^{n}\big{(}e+\rho(x)\big{)}dx$ $\displaystyle\leq\int_{\rho(x^{\prime})\geq C_{0}}|K_{z}(x^{\prime}-y^{\prime})-K_{z}(x^{\prime})|\log^{n}\big{(}e+\rho(x^{\prime})\big{)}dx^{\prime}\log^{n}\big{(}e+\rho(y)\big{)}$ $\displaystyle\leq C(z)\log^{n}\big{(}e+\rho(y)\big{)}.$ When $\lambda=\rho(y)<6$, by (2.10), we get $\displaystyle\int_{\rho(x)\geq C_{0}\rho(y)}|K_{z}(x-y)-K_{z}(x)|\log^{n}\big{(}e+\rho(x)\big{)}dx$ $\displaystyle\leq 2^{n}\int_{\rho(x^{\prime})\geq C_{0}}|K_{z}(x^{\prime}-y^{\prime})-K_{z}(x^{\prime})|\log^{n}\big{(}e+\rho(x^{\prime})\big{)}dx^{\prime}$ $\displaystyle\leq C(z)\leq C(z)\log^{n}\big{(}e+\rho(y)\big{)}.$ To prove (2.10), we define $K_{z}^{1}$ and $K_{z}^{2}$ by $K_{z}^{1}(x)=\int_{|t|\leq 1}h_{z}(x-\Gamma(t))|t|^{z}\frac{dt}{t}\ \text{and}\ K_{z}^{2}(x)=K_{z}(x)-K_{z}^{1}(x),$ respectively. We split the integral as $\displaystyle\int_{\rho(x)\geq C_{0}}|K_{z}(x-y)-K_{z}(x)|\log^{n}\big{(}e+\rho(x)\big{)}dx$ $\displaystyle\leq\int_{\rho(x)\geq C_{0}}|K_{z}^{1}(x)|\log^{n}\big{(}e+\rho(x)\big{)}dx$ $\displaystyle+\int_{\rho(x)\geq C_{0}}|K_{z}^{1}(x-y)|\log^{n}\big{(}e+\rho(x)\big{)}dx$ $\displaystyle+\int_{\rho(x)\geq C_{0}}|K_{z}^{2}(x-y)-K_{z}^{2}(x)|\log^{n}\big{(}e+\rho(x)\big{)}dx.$ To estimate first two summands, we need a estimate related to $h_{z}$, which can be found in [27, pp.1273]. The homogeneity and smoothness of $h_{z}$ away from origin imply that $|h_{z}(x-y)-h_{z}(x)|\leq C(z)\frac{|y|}{\\{\rho(x)\\}^{\Delta+Re(z)+\mu}}$ (2.11) for some $\mu>0$, provide $|y|/|x|$ is sufficiently small. We set $\beta=\min\\{\mu,1\\}$. For the first integral, by using Fubini’s theorem and (2.11), we have $\displaystyle\int_{\rho(x)\geq C_{0}}|K_{z}^{1}(x)|\log^{n}\big{(}e+\rho(x)\big{)}dx$ $\displaystyle\leq\int_{\rho(x)\geq C_{0}}\int_{|t|\leq 1}|h_{z}(x-\Gamma(t))-h_{z}(x)||t|^{Re(z)-1}dt\log^{n}\big{(}e+\rho(x)\big{)}dx$ $\displaystyle\leq\int_{|t|\leq 1}|t|^{Re(z)-1}\int_{\rho(x)\geq C_{0}}|h_{z}(x-\Gamma(t))-h_{z}(x)|\log^{n}\big{(}e+\rho(x)\big{)}dxdt$ $\displaystyle\leq\int_{|t|\leq 1}|t|^{Re(z)-1}|\Gamma(t)|\int_{\rho(x)\geq C_{0}}\rho(x)^{-[\Delta+Re(z)+\mu]}\log^{n}\big{(}e+\rho(x)\big{)}dxdt$ $\displaystyle\leq C(z),$ where we use the fact that $-\beta<Re(z)<0$. The norm function $\rho(x)$ have the property of $\rho(x+y)\leq c\big{(}\rho(x)+\rho(y)\big{)}$ for some $c>0$(see Proposition 1-9 in [27]). Specially, we set $C_{0}\geq\max\\{6,3c\\}$. Note that $\rho(x-y)\geq\frac{1}{c}\rho(x)-\rho(y)\geq\frac{C_{0}}{c}-1\geq 2$ and $\rho(x)\leq c[\rho(x-y)+\rho(y)]\leq c\rho(x-y)+c$. Using a linear transformation, we treat the second summand as the first one, $\displaystyle\int_{\rho(x)\geq C_{0}}|K_{z}^{1}(x-y)|\log^{n}\big{(}e+\rho(x)\big{)}dx$ $\displaystyle\leq\int_{\rho(x)\geq 2}|K_{z}^{1}(x)|\log^{n}\big{(}e+c+c\rho(x)\big{)}dx\leq C(z).$ Finally, using Fubini’s theorem, we have $\displaystyle\int_{\rho(x)\geq C_{0}}|K_{z}^{2}(x-y)-K_{z}^{2}(x)|\log^{n}\big{(}e+\rho(x)\big{)}dx$ $\displaystyle\leq$ $\displaystyle\int_{|t|\geq 1}\int_{\rho(x)\geq C_{0}}\big{|}h_{z}\big{(}x-y-\Gamma(t)\big{)}-h_{z}\big{(}x-\Gamma(t)\big{)}\big{|}\log^{n}\big{(}e+\rho(x)\big{)}\frac{dxdt}{|t|^{1-Re(z)}}.$ We divide the inner integral above according to the distance between $x$ and $\Gamma(t)$. Note that $\rho(y)=1$, if $|y|/|x-\Gamma(t)|$ is sufficient small, that is $|x-\Gamma(t)|$ is away from the origin, we can get that $\rho(x-\Gamma(t))\geq C_{2}$, where $C_{2}$ is an appropriate constant. In this case, by (2.11) and a linear transformation, we obtain the following estimate $\displaystyle\int_{|t|\geq 1}\int_{\begin{subarray}{c}\rho(x)\geq C_{0}\\\ \rho(x-\Gamma(t))\geq C_{2}\end{subarray}}\big{|}h_{z}\big{(}x-y-\Gamma(t)\big{)}-h_{z}\big{(}x-\Gamma(t)\big{)}\big{|}\log^{n}\big{(}e+\rho(x)\big{)}\frac{dxdt}{|t|^{1-Re(z)}}$ $\displaystyle\leq C\int_{|t|\geq 1}\int_{\begin{subarray}{c}\rho(x)\geq C_{0}\\\ \rho(x-\Gamma(t))\geq C_{2}\end{subarray}}\frac{|y|}{\\{\rho\big{(}x-\Gamma(t)\big{)}\\}^{\Delta+\mu+Re(z)}}\log^{n}\big{(}e+\rho(x)\big{)}\frac{dxdt}{|t|^{1-Re(z)}}$ $\displaystyle\leq C\int_{|t|\geq 1}\int_{\rho(x)\geq C_{2}}\frac{1}{\\{\rho(x)\\}^{\Delta+\mu+Re(z)}}\log^{n}\big{(}e+c\rho(x)+ct\big{)}\frac{dxdt}{|t|^{1-Re(z)}}$ $\displaystyle\leq C\int_{|t|\geq 1}\int_{\rho(x)\geq C_{2}}\frac{1}{\\{\rho(x)\\}^{\Delta+\mu+Re(z)}}\big{\\{}\log^{n}\big{(}e+\rho(x)\big{)}+\log^{n}\big{(}e+t\big{)}\big{\\}}\frac{dxdt}{|t|^{1-Re(z)}}$ $\displaystyle\leq C,$ where we use the fact that for fixed $|t|\geq 1$, $\rho(x)\leq c[\rho(x-\Gamma(t))+\rho(\Gamma(t))]=c[\rho(x-\Gamma(t))+t]$. It is trivial that $\rho\big{(}x+y+\Gamma(t)\big{)}\leq c^{2}[\rho(x)+\rho(y)+\rho(\Gamma(t))]=c^{2}[1+\rho(x)+t]$. Then, the remainder can be controlled by $\displaystyle\int_{|t|\geq 1}\int_{\begin{subarray}{c}\rho(x)\geq C_{0}\\\ \rho(x-\Gamma(t))\leq C_{2}\end{subarray}}[|h_{z}(x-y-\Gamma(t))|+|h_{z}(x-\Gamma(t))|]\log^{n}(e+\rho(x))\frac{dxdt}{|t|^{1-Re(z)}}$ $\displaystyle\leq\int_{|t|\geq 1}\int_{\begin{subarray}{c}\rho(x)\geq C_{0}\\\ \rho(x-\Gamma(t))\leq C_{2}\end{subarray}}|h_{z}\big{(}x-y-\Gamma(t)\big{)}|\log^{n}\big{(}e+\rho(x)\big{)}dx|t|^{Re(z)-1}dt$ $\displaystyle+\int_{|t|\geq 1}\int_{\begin{subarray}{c}\rho(x)\geq C_{0}\\\ \rho(x-\Gamma(t))\leq C_{2}\end{subarray}}|h_{z}\big{(}x-\Gamma(t)\big{)}|\log^{n}\big{(}e+\rho(x)\big{)}dx|t|^{Re(z)-1}dt$ $\displaystyle\leq C\int_{|t|\geq 1}\int_{\begin{subarray}{c}\rho(x)\leq c(C_{2}+1)\end{subarray}}|h_{z}(x)|dx|t|^{Re(z)-1}\log^{n}(e+t)dt$ $\displaystyle\leq C(z),$ where we use the fact that $h_{z}$ is locally integrable. ∎ ## 3\. Anisotropic singular integrals It was shown by Calderón and Zygmund [4] that the $L^{p}$-boundedness of singular integrals with rough kernels can be deduced from the $L^{p}$-boundedness of the (directional) Hilbert transform using the method of rotations. In this section, we show a similar phenomenon happens, that is, the $L^{p}(X)$-boundedness of Hilbert transforms along curve $\Gamma(t)=(|t|^{\alpha_{1}}sgnt,|t|^{\alpha_{2}}sgnt,\cdots,|t|^{\alpha_{n}}sgnt)$ considered in the previous section implies the $L^{p}(X)$ boundedness of singular integrals $T_{\Omega}$ with kernels of the form $K(x)=\Omega(x)\rho(x)^{-\Delta}$, where $\Omega$ is a function on $\mathbb{R}^{n}\setminus\\{0\\}$ satisfying the homogeneity $\Omega(\delta_{t}x)=\Omega(x)\ \text{for all}\ t>0,$ size condition $\int_{\mathbf{S}^{n-1}}\sum^{n}_{i=1}\alpha_{i}\omega^{2}_{i}|\Omega(\omega)|d\omega<\infty,$ (3.1) and the cancelation condition $\int_{\mathbf{S}^{n-1}}\sum^{n}_{i=1}\alpha_{i}\omega^{2}_{i}\Omega(\omega)d\omega=0,$ which can be understood from the following change-of-variable formula $dx=t^{\Delta-1}\sum^{n}_{i=1}\alpha_{i}{\omega}^{2}_{i}dtd\omega.$ ###### Theorem 3.1. Let $X\in\mathcal{I}$. If $\Omega$ is odd, then the operators $T_{\Omega}$ described previously are bounded on $L^{p}(\mathbb{R}^{n};X)$ for $1<p<\infty$. Guliev [8] has obtained the boundedness of anisotropic singular integrals with scalar valued-kernels on UMD lattices. Recently, Hytönen[11] generalized some work of Guliev to the anisotropic singular integrals with operator-valued kernels acting on UMD space. While their arguments require that $\Omega(x)$ should satisfy a kind of $L^{\infty}$-Dini condition, which is a much more restricted condition than ours. So, Theorem 3.1 is a generalization of Hytönen and Guliev’s result in this sense. ###### Proof. Changing the variables, we find $\displaystyle T_{\Omega}f(x)$ $\displaystyle={\rm p.v.}\int_{\mathbb{R}^{n}}f\big{(}x-\delta_{\rho(y)}\delta_{\rho(y)}^{-1}y\big{)}\Omega(\delta_{\rho(y)}^{-1}y)\\{\rho(y)\\}^{-\Delta}dy$ $\displaystyle=\int_{0}^{\infty}\int_{\mathbf{S}^{n-1}}f\big{(}x-\delta_{t}\omega\big{)}\sum^{n}_{i=1}\alpha_{i}\omega^{2}_{i}\Omega(\omega)d\omega\frac{dt}{t}.$ (3.2) Note that $\Omega$ is odd, by a linear transformation, we also have $T_{\Omega}f(x)=\int^{0}_{-\infty}\int_{\mathbf{S}^{n-1}}f\big{(}x+\delta_{(-t)}\omega\big{)}\sum^{n}_{i=1}\alpha_{i}\omega^{2}_{i}\Omega(\omega)d\omega\frac{dt}{t}.$ (3.3) Using Fubini theorem, and adding (3.2) and (3.3) together, we get $T_{\Omega}f(x)=\frac{1}{2}\int_{\mathbf{S}^{n-1}}\sum^{n}_{i=1}\alpha_{i}\omega^{2}_{i}\Omega(\omega)\big{[}\int_{-\infty}^{0}f\big{(}x+\delta_{(-t)}\omega\big{)}\frac{dt}{t}+\int_{0}^{\infty}f\big{(}x-\delta_{t}\omega\big{)}\frac{dt}{t}\big{]}d\omega.$ Then, it suffices to prove that $\|\int_{-\infty}^{0}f\big{(}x+\delta_{(-t)}\omega\big{)}\frac{dt}{t}+\int_{0}^{\infty}f\big{(}x-\delta_{t}\omega\big{)}\frac{dt}{t}\|_{L^{p}(\mathbb{R}^{n};\mathbf{X})}\leq C_{p}\|f\|_{L^{p}(\mathbb{R}^{n};X)},$ where the constant $C_{p}$ is independent of $\omega$. For fixed $\omega\in\mathbf{S}^{n-1}$, define $\Gamma_{\omega}(t)$ as the curve in the form of (1.1) associated to the dilation $\delta_{t}$ with $\mathbf{e}=\omega$ and $\mathbf{f}=-\omega$, then the quantity inside the norm of the previous inequality is the Hilbert transform along the curve $\Gamma_{\omega}(t)$. The same arguments for the proof of Theorem 1.3 work also for the curve $\Gamma_{\omega}(t)$, and we obtain the desired result. ∎ In the classical case (dilation given by $\delta_{t}x=tx$), it is known that the boundedness of $T_{\Omega}$ is also obtained for the even function $\Omega$ under a stronger size condition $\Omega\in L\log^{+}L(\mathbf{S}^{n-1})$. The main ingredient is the existence of Riesz transforms $R_{j},\;j=1,2,\cdots,n$, such that 1. (i) $-\sum^{n}_{j=1}R_{j}\circ R_{j}=I$, 2. (ii) the kernel of $T_{\Omega}\circ R_{j}$ is still homogeneous, and the associated $\Omega_{j}$ is an odd function satisfying size condition (3.1). In the anisotropic setting, it seems very difficult to find some replacements for Riesz transforms such that similar properties as (i) and (ii) hold. Hence we leave it as an open problem that whether Theorem 3.1 is still true for the even function $\Omega$ under a stronger size condition. ## 4\. The proof of Theorem 1.4 The main argument for the proof is similar to that for Theorem 1.3. We first introduce a family of analytic operators. For $z\in\mathbb{C}$, we define an analytic family of operators ${\mathscr{H}}_{z}$ by $\widehat{\mathscr{H}_{z}f}(\xi,\eta)=m_{z}(\xi,\eta)\hat{f}(\xi,\eta),$ where $m_{z}$ are given by $m_{z}(\xi,\eta)={\rm p.v.}\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}\frac{dt}{t}.$ Obviously, ${\mathscr{H}}_{0}$ is our original operator $\mathscr{H}$. Following the idea in [20], it suffices to prove the following two estimates: $\big{\|}{\mathscr{H}}_{z}f\big{\|}_{L^{2}({\mathbb{R}}^{2};H)}\leq C_{\delta}\big{[}1+|Im(z)|\big{]}\big{\|}f\big{\|}_{L^{2}(\mathbb{R}^{2};H)},$ (4.1) where $Re(z)=\frac{1}{4}-\delta$ for some $\delta>0$, and $\big{\|}\mathscr{H}_{z}f\big{\|}_{L^{q}({\mathbb{R}}^{2};{Y})}\leq C\big{[}1+|Im(z)|\big{]}^{2}\big{\|}f\big{\|}_{L^{q}({\mathbb{R}}^{2};{Y})},$ (4.2) where $Y$ is an UMD lattice, $Re(z)<-1$, $1<q<\infty$, the constant $C$ depends on $Re(z)$ and is independent of $Im(z)$. Indeed, we finish the proof by analytic interpolation argument [25]. Let $T_{z}f(x)=e^{z^{2}}{\mathscr{H}}_{z}f(x)$. Note that $|e^{z^{2}}|=e^{Re(z)^{2}-Im(z)^{2}}$, by (4.1) there exists a constant $M_{0}$ which is independent of $Im(z)$ such that $\big{\|}T_{z}f\big{\|}_{L^{2}(\mathbb{R}^{2};H)}\leq C_{\delta}e^{-Im(z)^{2}}\big{[}1+|Im(z)|\big{]}\big{\|}f\big{\|}_{L^{2}(\mathbb{R}^{2};H)}\leq M_{0}\big{\|}f\big{\|}_{L^{2}(\mathbb{R}^{2};H)}$ when ${\rm Re}(z)=\frac{1}{4}-\delta$. Also, for UMD lattice $Y$ and $q\in(1,\infty)$, by (4.2) there exists a constant $M_{1}$ which is independent of $Im(z)$ such that $\big{\|}T_{z}f\big{\|}_{L^{q}(\mathbb{R}^{2};{Y})}\leq M_{1}\big{\|}f\big{\|}_{L^{q}(\mathbb{R}^{2};{Y})}\quad when\ \ {\rm Re}(z)<-1.$ This inequality also holds in particular with $Y=H$. For $\frac{5}{3}<p\leq 2$, there exist $1<q<\infty$ and $\theta_{0}\in(0,\frac{1}{5})$ so that $\frac{1}{p}=\frac{1-\theta_{0}}{2}+\frac{\theta_{0}}{q}\ \ \text{and}\ \ (\frac{1}{4}-\delta)(1-\theta_{0})+(-1-\varepsilon_{0})\theta_{0}=:\sigma_{1}\in(0,\frac{1}{4})$ for some $\varepsilon_{0}>0$ and $0<\delta<\frac{1}{4}$. By interpolation of analytic operators, we have $\big{\|}T_{z}f\big{\|}_{L^{p}(\mathbb{R}^{2};H)}\leq C(z)\big{\|}f\big{\|}_{L^{p}(\mathbb{R}^{2};H)}\quad for\ \ {\rm Re}(z)=\sigma_{1}\in(0,1/4).$ Given an UMD lattice $X\in\mathcal{I}_{(0,1/5)}$, there exist a $\theta\in(0,\frac{1}{5})$, a Hilbert space $H$ and another UMD lattice $Y$, such that $L^{p}(\mathbb{R}^{2};X)=[L^{p}(\mathbb{R}^{2};H),L^{p}(\mathbb{R}^{2};{Y})]_{\theta}$. For such a $\theta$ and appropriate $\sigma_{1}$, we choose $\varepsilon_{1}>0$ such that $(1-\theta)\sigma_{1}+\theta(-1-\varepsilon_{1})=0$. Using interpolation of analytic operators once more, we obtain $\big{\|}\mathscr{H}f\big{\|}_{L^{p}(\mathbb{R}^{2};X)}\leq C\big{\|}f\big{\|}_{L^{p}(\mathbb{R}^{2};X)}$ for $\frac{5}{3}<p\leq 2$. The duality argument implies the result for $2\leq p<\frac{5}{2}$. This completes the proof of Theorem 1.4. The estimate (4.1) holds since Plancherel’s theorem works also for Hilbert space valued functions and the original argument in [20] can be repeated in the present situation. The novelty of the proof lies in the estimate (4.2), for which we need the vector-valued Fourier multiplier theorem established recently. Let us firstly recall some notations. A Banach space $X$ satisfies property $(\alpha)$ if there is a positive constant $C$ such that $\mathbb{E}\mathbb{E}^{\prime}\bigg{|}\sum^{N}_{k,l=1}\epsilon_{k}\epsilon_{l}^{\prime}\alpha_{kl}x_{kl}\bigg{|}_{X}\leq C\mathbb{E}\mathbb{E}^{\prime}\bigg{|}\sum^{N}_{k,l=1}\epsilon_{k}\epsilon_{l}^{\prime}x_{kl}\bigg{|}_{X}$ for all $N\in\mathbb{N}$, all vectors $x_{kl}\in X$ and scalars $|\alpha_{kl}|\leq 1$ $(1\leq k,l\leq N)$, where $\epsilon_{k}$, $k\in\mathbb{Z}$ and $\epsilon_{l}^{\prime}$, $l\in\mathbb{Z}$ are two identical independent sequences. ###### Remark 4.1. The commutative $L^{p}$ spaces satisfy property $(\alpha)$ for all $1\leq p<\infty$. Also, this property is inherited from $X$ by $L^{p}(\mu,X)$ for $p\in[1,\infty)$. Every Banach space with a local unconditional structure and finite cotype, in particular every Banach lattice, has property $(\alpha)$. Let $m:{\mathbb{R}}^{n}\rightarrow\mathbb{C}$ be a bounded function, the associated operator $T_{m}$ is defined on the test functions $f\in{\mathscr{S}}({\mathbb{R}}^{n})\otimes X$ by $T_{m}f(x)=(m\hat{f})^{\vee}(x).$ The sufficiency part of the following vector-valued Fourier multiplier theorem was proved by Štrkalj and Weis [24], while the necessity of those conditions was obtained by Hytönen and Weis [14]. ###### Lemma 4.2. The Marcinkiewicz-Lizorkin condition $|\xi^{\beta}||D^{\beta}m(\xi)|\leq C$ for all $\beta\in\\{0,1\\}^{n}$ is sufficient for the $L^{p}({\mathbb{R}}^{n};X)$-boundedness of $T_{m}$, $n>1$, if and only if $X$ is an UMD space with property $(\alpha)$. In view of Lemma 4.2 and Remark 4.1, to prove the estimate (4.2), it suffices to show that the following functions $m_{z}(\xi,\eta),\ \xi\frac{\partial m_{z}}{\partial\xi}(\xi,\eta),\ \eta\frac{\partial m_{z}}{\partial\eta}(\xi,\eta),\ \xi\eta\frac{\partial^{2}m_{z}}{\partial\xi\partial\eta}(\xi,\eta)$ are uniformly bounded on $\mathbb{R}^{2}$ for $Re(z)<-1$. The uniform boundedness of $m_{z}(\xi,\eta)$ is trivial, it can be showed by minor modification of the proof of (4.1). Without repetition, we omit the proof. The following estimates are essentially proved in [20], we include them here for the sake of completeness. The boundedness of $\xi\frac{\partial m_{z}}{\partial\xi}(\xi,\eta)$. Integration by part implies that $\displaystyle\xi\frac{\partial m_{z}}{\partial\xi}(\xi,\eta)$ $\displaystyle=$ $\displaystyle-2\pi i\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\xi\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}dt$ $\displaystyle=$ $\displaystyle\int_{\mathbb{R}}\frac{d}{dt}(e^{-2\pi i\xi t})e^{-2\pi i\eta\gamma(t)}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}dt$ $\displaystyle=$ $\displaystyle e^{-2\pi i[\xi t+\eta\gamma(t)]}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}\bigg{|}^{\infty}_{-\infty}$ $\displaystyle+$ $\displaystyle 2\pi i\eta\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\gamma^{\prime}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}dt$ $\displaystyle-$ $\displaystyle 2z\eta^{2}\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}\gamma(t)\gamma^{\prime}(t)dt.$ Note that $Re(z)<-1$, for $t\in{\mathbb{R}}$, we have $\big{|}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}\big{|}=\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{Re(z)}\leq 1$. The boundary terms are bounded by $1$. For $Re(z)<-1$, making the change of variables $u=|\eta|\gamma(t)$, we obtain $\displaystyle\bigg{|}\eta\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\gamma^{\prime}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}dt\bigg{|}$ $\displaystyle\leq$ $\displaystyle\int_{\mathbb{R}}\gamma^{\prime}(t)|\eta|\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{Re(z)}dt$ $\displaystyle\leq$ $\displaystyle\int_{\mathbb{R}}\big{(}1+u^{2}\big{)}^{Re(z)}du\leq\pi.$ In a similar way, the second integrated term can be dominated by $\displaystyle\bigg{|}z\eta^{2}\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}\gamma(t)\gamma^{\prime}(t)dt\bigg{|}$ $\displaystyle\leq$ $\displaystyle 2|z|\int_{0}^{\infty}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{Re(z)-1}\eta^{2}\gamma(t)\gamma^{\prime}(t)dt$ $\displaystyle\leq$ $\displaystyle|z|\int_{0}^{\infty}(1+u)^{Re(z)-1}du\leq 1+|Im(z)|.$ Therefore, for $Re(z)<-1$, $\big{|}\xi\frac{\partial m_{z}}{\partial\xi}(\xi,\eta)\big{|}\leq C\big{[}1+|Im(z)|\big{]}.$ The boundedness of $\eta\frac{\partial m_{z}}{\partial\eta}(\xi,\eta)$. Integrating by parts, we obtain $\displaystyle\eta\frac{\partial m_{z}}{\partial\eta}(\xi,\eta)$ $\displaystyle=$ $\displaystyle-2\pi i\ {\rm p.v.}\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\eta\gamma(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}\frac{dt}{t}$ $\displaystyle+$ $\displaystyle 2z\ {\rm p.v.}\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\eta^{2}\gamma^{2}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}\frac{dt}{t}.$ To estimate above two integrals, we follow the argument used in the proof of (4.1). For the first integral, for any $\varepsilon>0$, it suffices to bound the following two parts $\int_{\varepsilon<|t|<t_{0}}|\eta||\gamma(t)|\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{Re(z)}\frac{dt}{|t|}\ \ \text{and}\ \ \int_{|t|\geq t_{0}}|\eta||\gamma(t)|\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{Re(z)}\frac{dt}{|t|}.$ Recall that $t_{0}>0$ was chosen so that $|\eta|\gamma(t_{0})=1$, and $\gamma(t)\leq t\gamma^{\prime}(t)$ because of the convexity. Thus, $\displaystyle\int_{\varepsilon<|t|<t_{0}}|\eta||\gamma(t)|\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{Re(z)}\frac{dt}{|t|}\leq 2|\eta|\int_{0}^{t_{0}}\frac{\gamma(t)}{t}dt\leq 2|\eta|\int_{0}^{t_{0}}\gamma^{\prime}(t)dt\leq 2.$ For $Re(z)<-1$, an elementary calculation implies that $\int_{|t|\geq t_{0}}|\eta||\gamma(t)|\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{Re(z)}\frac{dt}{|t|}\leq 2|\eta|^{2Re(z)+1}\int_{t_{0}}^{\infty}\gamma^{2Re(z)}(t)\frac{\gamma(t)}{t}dt\leq 2.$ Similarly, the second integral can be controlled by $\displaystyle\bigg{|}z\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\eta^{2}\gamma^{2}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}\frac{dt}{t}\bigg{|}$ $\displaystyle\leq$ $\displaystyle 2|z|\int_{0}^{t_{0}}\eta^{2}\gamma^{2}(t)\frac{dt}{t}+2|z|\int_{t_{0}}^{\infty}\eta^{2}\gamma^{2}(t)\big{[}\eta^{2}\gamma^{2}(t)\big{]}^{Re(z)-1}\frac{dt}{t}$ $\displaystyle\leq$ $\displaystyle 2|z|\eta^{2}\int_{0}^{t_{0}}\gamma(t)\gamma^{\prime}(t)dt+2|z|\eta^{2Re(z)}\int_{t_{0}}^{\infty}\gamma^{2Re(z)-1}(t)\gamma^{\prime}(t)dt$ $\displaystyle\leq$ $\displaystyle|z|+\frac{|z|}{|Re(z)|}\leq 2|Re(z)|\big{[}1+|Im(z)|\big{]}.$ Therefore, for $Re(z)<-1$, $\big{|}\xi\frac{\partial m_{z}}{\partial\xi}(\xi,\eta)\big{|}\leq C\big{[}1+|Im(z)|\big{]}.$ The boundedness of $\xi\eta\frac{\partial^{2}m_{z}}{\partial\xi\partial\eta}(\xi,\eta)$. To deal with $\xi\eta\frac{\partial^{2}m_{z}}{\partial\xi\partial\eta}(\xi,\eta)$, we rewrite it as $\displaystyle\xi\eta\frac{\partial^{2}m_{z}}{\partial\xi\partial\eta}(\xi,\eta)$ $\displaystyle=$ $\displaystyle-4\pi^{2}\xi\eta\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\gamma(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}dt$ $\displaystyle-$ $\displaystyle 4\pi iz\xi\eta\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}\eta\gamma^{2}(t)dt.$ For the first term, integrating by parts, we obtain $\displaystyle 4\pi^{2}\xi\eta\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\gamma(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}dt$ $\displaystyle=$ $\displaystyle 2\pi i\int_{\mathbb{R}}\frac{d}{dt}\big{(}e^{-2\pi i\xi t}\big{)}e^{-2\pi i\eta\gamma(t)}[\eta\gamma(t)]\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}dt$ $\displaystyle=$ $\displaystyle 2\pi ie^{-2\pi i[\xi t+\eta\gamma(t)]}[\eta\gamma(t)]\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}\bigg{|}_{-\infty}^{\infty}$ $\displaystyle-$ $\displaystyle 4\pi^{2}\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\eta\gamma^{\prime}(t)[\eta\gamma(t)]\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}dt$ $\displaystyle-$ $\displaystyle 2\pi i\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\eta\gamma^{\prime}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}dt$ $\displaystyle-$ $\displaystyle 4\pi iz\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}\eta^{3}\gamma^{2}(t)\gamma^{\prime}(t)dt.$ Obviously, for $Re(z)<-1$, $t\in\mathbb{R}$, $\big{|}2\pi ie^{-2\pi i[\xi t+\eta\gamma(t)]}[\eta\gamma(t)]\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}\big{|}\leq 2\pi|\eta||\gamma(t)|\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{Re(z)}\leq 2\pi$. So, the boundary terms are bounded by $2\pi$. For the first integrated term, making the change of variables $u=\eta^{2}\gamma^{2}(t)$, we have $\displaystyle\bigg{|}\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\eta\gamma^{\prime}(t)[\eta\gamma(t)]\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}dt\bigg{|}$ $\displaystyle\leq$ $\displaystyle 2\int_{0}^{\infty}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{Re(z)}\eta^{2}\gamma(t)\gamma^{\prime}(t)dt$ $\displaystyle\leq$ $\displaystyle\int_{0}^{\infty}\big{(}1+u\big{)}^{Re(z)}du\leq\frac{1}{|Re(z)+1|}.$ The second integrated terms can be treated in the same way, let $u=\eta\gamma(t)$, $\bigg{|}\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\eta\gamma^{\prime}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z}dt\bigg{|}\leq\int_{\mathbb{R}}(1+u^{2})^{Re(z)}du\leq\pi.$ Similarly, a trivial calculation shows that $\displaystyle\bigg{|}z\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}\eta^{3}\gamma^{2}(t)\gamma^{\prime}(t)dt\bigg{|}$ $\displaystyle\leq$ $\displaystyle 2|z|\int_{0}^{\infty}u^{2}\big{(}1+u^{2}\big{)}^{Re(z)-1}du\leq\pi|z|.$ The second term can be handled similarly. Integrating by parts, we decompose it as $\displaystyle 4\pi iz\xi\eta\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}\eta\gamma^{2}(t)dt$ $\displaystyle=$ $\displaystyle 2\pi iz\int_{\mathbb{R}}\frac{d}{dt}\big{(}e^{-2\pi i\xi t}\big{)}e^{-2\pi i\eta\gamma(t)}\eta^{2}\gamma^{2}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}dt$ $\displaystyle=$ $\displaystyle 2\pi ize^{-2\pi i[\xi t+\eta\gamma(t)]}\eta^{2}\gamma^{2}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}\bigg{|}_{-\infty}^{\infty}$ $\displaystyle-$ $\displaystyle 4\pi^{2}z\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\eta\gamma^{\prime}(t)\eta^{2}\gamma^{2}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}dt$ $\displaystyle-$ $\displaystyle 4\pi iz\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\eta^{2}\gamma(t)\gamma^{\prime}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}dt$ $\displaystyle-$ $\displaystyle 4\pi iz(z-1)\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\eta^{2}\gamma^{2}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-2}\eta^{2}\gamma(t)\gamma^{\prime}(t)dt.$ Obviously, for $Re(z)<-1$, $t\in\mathbb{R}$, $\big{|}ze^{-2\pi i[\xi t+\eta\gamma(t)]}\eta^{2}\gamma^{2}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}\big{|}\leq|z|$. The boundary terms are dominated by $4\pi|z|$. For the first integrated term, by making the change of variables $u=\eta\gamma(t)$, we have the estimate $\displaystyle\bigg{|}z\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\eta\gamma^{\prime}(t)\eta^{2}\gamma^{2}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}dt\bigg{|}$ $\displaystyle\leq|z|\int_{\mathbb{R}}u^{2}(1+u^{2})^{Re(z)-1}dt$ $\displaystyle\leq\pi|z|.$ To estimate the second integrated terms, we make the transformation $u=\eta^{2}\gamma^{2}(t)$ and get $\displaystyle\bigg{|}z\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\eta^{2}\gamma(t)\gamma^{\prime}(t)\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-1}dt\bigg{|}$ $\displaystyle\leq|z|\int_{0}^{\infty}(1+u)^{Re(z)-1}du$ $\displaystyle\leq\frac{|z|}{|Re(z)|}.$ Similarly, the third integrated terms can be treated as $\displaystyle\bigg{|}z(z-1)\int_{\mathbb{R}}e^{-2\pi i[\xi t+\eta\gamma(t)]}\big{[}1+\eta^{2}\gamma^{2}(t)\big{]}^{z-2}\eta^{4}\gamma^{3}(t)\gamma^{\prime}(t)dt\bigg{|}$ $\displaystyle\leq$ $\displaystyle|z(z-1)|\int_{0}^{\infty}(1+u)^{Re(z)-1}du\leq\frac{|z(z-1)|}{|Re(z)|}.$ Note that for $Re(z)<-1$, we have the following elementary estimates $|z|\leq|Re(z)|\big{[}1+|Im(z)|\big{]}\ \ \text{and}\ \ |z-1|\leq|Re(z)-1|\big{[}1+|Im(z)|\big{]}.$ Finally, combining the above eight estimates, we obtain $\big{|}\xi\eta\frac{\partial^{2}m_{z}}{\partial\xi\partial\eta}(\xi,\eta)\big{|}\leq C\big{[}1+Im(z)\big{]}^{2}.$ This completes the proof of Theorem 1.4. Acknowledgement. The first author is supported in part by MINECO: ICMAT Severo Ochoa project SEV-2011-0087 and ERC Grant StG-256997-CZOSQP (EU); The second author is supported in part by NSFC 11371057 and 11471033. The authors would like to thank the referee for many valuable and useful comments and suggestions which have improved this paper. ## References * [1] A. Benedek, A.P. Calderón and R. Panzone, Convolution operators on Banach space valued functions, Proc. Natl. Acad. Sci. USA. 48 (1962), no. 3, 356–365. * [2] J. Bourgain, Vector-valued singular integrals and the $H^{1}$-BMO duality, Probability theory and harmonic analysis, 1-19, Textbooks Pure Appl. Math. Dekker, New York, 1986. * [3] D.L. Burkholder, A geometric condition that implies the existence of certain singular integrals of Banach-space-valued functions, Conference on harmonic analysis in honor of Antoni Zygmund, Vol. I, II(Chicago, III., 1981), 270-286, Wadsworth Math. Ser., Wadsworth, Belmont, CA, 1983. * [4] A.P. Calderón and A. Zygmund, On the existence of certain singular integrals, Acta Math. 88 (1952), no. 1, 85–139. * [5] H. Carlsson, M. Christ, A. Córdoba, J. Duoandikoetxea, J.L. Rubio de Francia, J. Vance, S. Wainger and D. Weinberg, $L^{p}$ estimates for maximal functions and Hilbert transforms along flat convex curves in $\mathbb{R}^{2}$, Bull. Amer. Math. Soc. 14 (1986), no. 2, 263–267. * [6] M. Christ, A. Nagel, E.M. Stein and S. Wainger, Singular and maximal radon transform: Analysis and geometry, Ann. of Math. 150 (1999), no. 2, 489–577. * [7] E.B. Fabes, Singular integrals and partial differential equations of parabolic type, Studia Math. 28 (1966), no. 1, 81–131. * [8] V.S. Guliev, Imbedding theorems for spaces of UMD-valued functions, Dokl. Akad. Nauk. 329 (1993), no. 4, 408–410. * [9] G. Hong and J. Parcet, Necessity of property $(\alpha)$ for for vector-valued Littlewood-Paley sets associated sumsets, in progress. * [10] G. Hong, L.D. López-Sánchez, J.M. Martell, and J. Parcet, Calderón-Zygmund Operators Associated to Matrix-Valued Kernels, Int. Math. Res. Not. 2014 (2014), no. 5, 1221–1252. * [11] T. Hytönen, Anisotropic Fourier multipliers and singular integrals for vector-valued functions, Ann. Mat. Pura Appl. 186 (2007), no. 3, 455–468. * [12] T. Hytönen and L. Weis, Singular convolution integrals with operator-valued kernel, Math. Z. 255 (2007), no. 2, 393–425. * [13] T. Hytönen, Littlewood-Paley-Stein theory for semigroups in UMD spaces, Rev. Mat. Iberoam. 23 (2007), no. 3, 973–1009. * [14] T. Hytönen and L. Weis, On the necessity of property $(\alpha)$ for some vector-valued multiplier theorems, Arch. Math.(Basel) 90 (2008), no. 1, 44–52. * [15] M. Junge, T. Mei and J. Parcet. Smooth Fourier multipliers on group von Neumann algebras, Geom. Funct. Anal. 24 (2014), no. 6, 1913–1980 . * [16] H. Liu, Hilbert transforms along convex curves for valued functions, ISRN Math. Anal. 2014 (2014), Article ID 827072, doi:10.1155/2014/827072. * [17] T.R. McConnell, On Fourier multiplier transformations of Banach-valued functions, Trans. Amer. Math. Soc. 285 (1984), no. 2, 739–757. * [18] T. Mei, Operator valued Hardy spaces, Mem. Amer. Math. Soc. 188 (2007). * [19] A. Nagel, N.M. Rivière and S. Wainger, On Hilbert transforms along curves, II, Amer. J. Math. 98 (1976), no. 2, 395–403. * [20] A. Nagel and S. Wainger, Hilbert transforms associated with plane curves, Trans. Amer. Math. Soc. 223 (1976), 235–252. * [21] J. Parcet, Pseudo-localization of singular integrals and noncommutative Calderón-Zygmund theory, J. Funct. Anal. 256 (2009), no. 2, 509–593. * [22] J.L. Rubio de Francia, F.J. Ruiz and J.L. Torra, Calderón-Zygmund theory for operator-valued kernels, Adv. Math. 62 (1986), no. 1, 7–48. * [23] J.L. Rubio de Francia, Martingale and integral transforms of Banach space valued functions, Probability and Banach spaces (Zaragoza, 1985), 195-222, Lecture Notes in Math. 1221, Springer, Berlin, 1986\. * [24] Ž. Štrkalj and L. Weis , On operator-valued Fourier multiplier theorems, Trans. Amer. Math. Soc. 359 (2007), no. 8, 3529–3547. * [25] E.M. Stein, Interpolation of linear operators, Trans. Amer. Math. Soc. 83 (1956), no. 2, 482–492. * [26] E.M. Stein and S. Wainger, The estimation of an integrals arising in multiplier transformations, Studia Math. 35 (1970), no. 1, 101–104. * [27] E.M. Stein and S. Wainger, Problems in harmonic analysis related to curvature, Bull. Amer, Math. Soc. 84 (1978), no. 8, 1239–1295. * [28] F. Zimmermann, On vector-valued Fourier multiplier theorems, Studia Math. T. XCIII (1989), 201-222.
arxiv-papers
2014-03-02T09:32:52
2024-09-04T02:49:59.157304
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/4.0/", "authors": "Guixiang Hong, Honghai Liu", "submitter": "Honghai Liu", "url": "https://arxiv.org/abs/1403.0177" }
1403.0181
# Vertex Operators, $\mathbb{C}^{3}$ Curve, and Topological Vertex ###### Abstract In this article, we prove the conjecture that Kodaira-Spencer theory for the topological vertex is a free fermion theory. By dividing the $\mathbb{C}^{3}$ curve into core and asymptotic regions and using Boson-Fermion correspondence, we construct a generic three-leg correlation function which reformulates the topological vertex in a vertex operator approach. We propose a conjecture of the correlation function identity which in a degenerate case becomes Zhou’s identity for a Hopf link. Jian-feng Wu 1 and Jie Yang2,3 _1 Institute of Theoretical Physics, Department of applied mathematics_ _and physics, Beijing University of Technology, Beijing, 100124, China_ [email protected] 2 _Beijing Center for Mathematics and Information Interdisciplinary Sciences_ 3 _School of Mathematical Sciences, Capital Normal University, Beijing, 100048, China_ [email protected] ## 1 Introduction It has been proposed that the Chern-Simons theory of a gauge group $U(N)$ in the large $N$ limit is dual to A-model topological string theory [1]. [2] provided a brane configuration of the knot of Chern-Simons theory. [3] discovered a quantum structure of Chern-Simons theory and from the well-known Wess-Zumino-Witten (WZW) model it even discovered the deeper relation between knot invariants in Chern-Simons theory with $SU(2)$ gauge group and characters of WZW model. Later the gauge group has been generalized to $U(N)$ [4]. In the large $N$ limit some knot invariants such as the loop and the Hopf link are shown to be directly related to symmetric functions such as Schur and skew Schur functions. In [5] the authors discovered some interesting vertex structure for some geometrical and physical invariants such as the Donaldson- Thomas invariants of ${\mathbb{C}}^{3}$ or in physical language, BPS invariants of D0-D6 branes on ${\mathbb{C}}^{3}$. From statistical point of view it is the partition function of a crystal melting model. [6] extended this structure to a general case where there are asymptotic boundaries of those crystals and related the partition function to a topological vertex. They managed to build up this connection because of Zhou’s identity [26]. In [7], the authors achieved a B-model approach to the topological vertex based on the observation of the mirror curve of $\mathbb{C}^{3}$ and the related symmetries. However, an explicit correspondence between A-model and B-model is still an open question. We try to find a more obvious relation between A- and B-model in this article. In our approach, the curve of $\mathbb{C}^{3}$ is essential. In A-model description, $\mathbb{C}^{3}$ could be seen as a cotangent bundle $T^{*}S^{3}$ with a single $S^{3}$ as the base. However, as the CS/WZW correspondence [3] saying, topological invariants in A-model becomes correlation functions in B-model, where there is an modular $S$ transformation inserted between bra and ket states. This correspondence strongly implies the mirror curve of $\mathbb{C}^{3}$ can not be expressed simply in one coordinate chart. We need at least two coordinate charts , one being related to another by $S$ transformation. Thus a complete B-model mirror curve of $\mathbb{C}^{3}$ has an asymptotic region (near infinity where the bra state is inserted in) and a core region (near origin where the ket state is inserted in) with point 1 the fix point. This means the A-model theory is a union of CFTs in two regions with a defect inserted at point 1. Surprisingly, if we introduce an excitation at point 1, the Hamiltonian blows up the excitation and forms a distribution corresponding to the representation of the excitation. This is very much like the so-called projective representation of affine algebra as in [23]. Also in [12], this structure had been introduced without proof. The CFT considered at hand is a Kodaira-Spencer theory as explained in [7], which by definition is a bosonic theory, equipped with a broken $\mathcal{W}_{1+\infty}$ symmetry. A conjecture also was proposed in [7] that the corresponding fermionic theory is a free fermion theory. We prove in this article that for the topological vertex case, where the unbroken $W$ symmetry is $W^{3}_{0}$, this conjecture is true. For other cases, for example, $W^{4}$, if one would like to keep the integrable structure, the corresponding fermionic theory is still a free one. It is compatible with Dijkgraaf’s work [17] two decades ago. Free fermion has been used in many research areas of physics. In [13] two- dimensional Yang-Mills theory of $U(N)$ gauge group the Vandermonde of group measure implies there is a fermionic structure. In two dimensions, due to Boson-Fermion correspondence, vertex operator is a very useful tool. In B-model [7] provided a beautiful explanation of a B-brane insertion as a fermion field and symmetries of the Riemann surface as the sources of transition function of sections of fiber bundles of fermionic fields. Because the duality between A-model and B-model, we would expect a similar structure in the A-model side. In this paper we aim to discover this structure and approach this topic via a vertex operator formalism. The structure of this paper is following. In sec. 2 we clarify some notation to be used in this paper and make some preparation. In sec. 3 we provide a generating function for the vertex operator. In sec. 4 we obtain the fermionic expression for $W^{n}_{0}$ and prove the free fermion conjecture for $W^{3}_{0}$. We also examine the curve of $\mathbb{C}^{3}$ in different regions and related symplectic transformations. In sec. 5 we solve Hamiltonian equations for two different coordinate charts and obtain wave functions. We construct the correlation function with three generic representations inserted at three points: 0,1,$\infty$ in a single patch. The cyclic symmetry of the vertex becomes a conjecture of an identity for the correlation function. In the limitation situation, this correlation function identity becomes Zhou’s identity of Hopf link. In sec. 6 we point out the future working direction. ## 2 Notations and Preliminaries A partition $\lambda$ is any sequence $\lambda=(\lambda_{1}\,,\lambda_{2}\,,\lambda_{3}\,,\cdots)$ of non-negative integers in weakly decreasing order: $\lambda_{1}\geq\lambda_{2}\geq\lambda_{3}\geq\cdots.$ The diagram of a partition $\lambda$ may be formally defined as the set of points $(i,j)\in{\mathbb{Z}}^{2}$ such that $1\leq j\leq\lambda_{i}$. More often it is convenient to replace the points by squares. It is also called a Young diagram. The conjugate of a partition $\lambda$ is denoted by $\lambda^{t}$ whose diagram is obtained by reflection in the main diagonal of $\lambda$. A Schur function $s_{\lambda}(z_{i})$ is a symmetric function of $z_{i}\,,i=1,2,\cdots,\infty$’s and labeled by partition $\lambda$. Especially, when $z_{i}=q^{\rho_{i}}=q^{-i+\frac{1}{2}}$ there is a very useful product formula for $s_{\lambda}$ $s_{\lambda}(q^{-\rho})=\frac{q^{||\lambda^{t}||/2}}{\prod_{(i,j)\in\lambda}1-q^{h(i,j)}}\,,$ (2.1) where $||\lambda^{t}||=\sum_{i}{(\lambda^{t}_{i})^{2}}$ and $h(i,j)$ is the hook length of square $(i,j)$. Sometimes it is more useful to represent the hook length as $h(i,j)=a(i,j)+l(i,j)+1$ where $a(i,j)$ and $l(i,j)$ are arm- length and leg-length respectively and $\displaystyle a(i,j)=\lambda_{i}-j\,,\quad l(i,j)=\lambda^{t}_{j}-i.$ ### 2.1 Zhou’s Hopf link identity The Hopf link is defined by $W_{\lambda\mu}=W_{\lambda}\,s_{\mu}(q^{\lambda+\rho}),$ (2.2) where $W_{\lambda}=(-1)^{\lambda}q^{\kappa_{\lambda}/2}\,s_{\lambda}(q^{-\rho})=s_{\lambda}(q^{\rho}),$ $\rho=-\frac{1}{2},-\frac{3}{2},-\frac{5}{2},\cdots$, and $q=e^{g_{s}}$. According to the duality between Chern-Simons and A-model topological string theory, $g_{s}$ is the string coupling constant. $\kappa_{\mu}$ is the ”energy” of the representation $\mu$ and $\kappa_{\mu}=\sum_{i}{\mu_{i}^{2}}-\sum_{j}{\mu^{t}_{j}}^{2}=\sum_{i\leq\ell(\mu)}\left((\mu+\rho)_{i}^{2}-\rho_{i}^{2}\right)$ where $\ell(\mu)$ is the length of the partition $\mu$, that is $\mu_{1}^{t}$. Zhou’s Hopf link identity can be written as $\displaystyle q^{\kappa_{\mu^{t}}/2}s_{\lambda}(q^{-\rho})s_{\mu^{t}}(q^{-\lambda^{t}-\rho})=\sum_{\eta}s_{\lambda/\eta}(q^{-\rho})s_{\mu/\eta}(q^{-\rho})\,,$ (2.3) where $s_{\lambda/\eta}(q^{-\rho})$ is the skew Schur function, see [21] for a detailed definition. For a special case $\lambda=\phi$ it gives rise to an interesting identity 111$\phi$ denotes the empty Young diagram: $s_{\mu}(q^{-\rho})=q^{\kappa_{\mu^{t}}/2}s_{\mu^{t}}(q^{-\rho})\,.$ (2.4) With the help of the useful identity 222[5] and [27] obtained a different formula $s_{\mu/\eta}(q^{-\nu-\rho})=(-)^{|\mu|+|\eta|}s_{\mu^{t}/\eta^{t}}(q^{\nu+\rho})\,,$ which is not correct. In [27] there was only a minor typo in the last line in the derivation of eq. (28). In [5] there was no derivation. We provide an independent derivation in App. B. We thank Professor Guo-ce Xin for pointing out the problem for us.[5, 27]: $s_{\mu/\eta}(q^{-\nu-\rho})=(-)^{|\mu|+|\eta|}s_{\mu^{t}/\eta^{t}}(q^{\nu^{t}+\rho})$ we obtain $\displaystyle W_{\lambda\mu}=(-)^{|\lambda|+|\mu|}q^{\kappa_{\lambda}/2+\kappa_{\mu}/2}\sum_{\eta}s_{\lambda/\eta}(q^{-\rho})s_{\mu/\eta}(q^{-\rho}).$ (2.5) [26] provided a mathematical proof of this Hopf link identity. Since this identity has a lot of applications in both mathematics and physics, see, e.g. [6, 28], we expect to uncover its origin from a physical point of view. However, a concrete physical proof is still an open problem for us. ## 3 Vertex Operators and Generating Functions Let us first introduce some basic ingredients of conformal field theory (CFT) of holomorphic boson and also chiral fermion fields. ### 3.1 Bosonization and Fermionization For a fermion-antifermion system defined on a complex plane, we have the following chiral fermion fields (Neuve-Schwarz fermions): $\displaystyle\psi(z)=\sum_{r\in\mathbb{Z}+\frac{1}{2}}\psi_{r}z^{-r-1/2}\,,$ (3.1) $\displaystyle\psi^{*}(z)=\sum_{s\in\mathbb{Z}+\frac{1}{2}}\psi^{*}_{s}z^{-s-1/2}.$ They have the following operator product expansions (OPEs): $\displaystyle\psi(z)\psi^{*}(z^{\prime})$ $\displaystyle=$ $\displaystyle\frac{1}{z-z^{\prime}}:\psi(z)\psi^{*}(z^{\prime}):+\cdots\,$ (3.2) $\displaystyle\psi^{*}(z)\psi(z^{\prime})$ $\displaystyle=$ $\displaystyle\frac{1}{z-z^{\prime}}:\psi^{*}(z)\psi(z^{\prime}):+\cdots\,\,,$ and also the anti-commutation relations: $\\{\psi_{n},\psi^{*}_{m}\\}=\delta_{n+m,0}\,,\quad\text{others}=0\,,\quad\quad(\psi_{n})^{*}=\psi^{*}_{-n}\,.$ (3.3) In another side, the holomorphic bosonic field $\varphi(z)$ is given as following $\displaystyle\varphi(z)$ $\displaystyle=$ $\displaystyle q_{0}+p_{0}\ln z+\sum_{n\neq 0}\frac{a_{n}}{-n}z^{-n},$ (3.4) $\displaystyle[a_{n},a_{m}]$ $\displaystyle=$ $\displaystyle n\delta_{n+m,0}\,\,,\,[p_{0},q_{0}]=1$ $\displaystyle\varphi(z)\varphi(w)$ $\displaystyle=$ $\displaystyle\ln(z-w):\varphi(z)\varphi(w):\,,$ (3.5) If $\bar{\varphi}$ denotes the corresponding anti-holomorphic bosonic field then a free bosonic field $\varphi(z,\bar{z})$ can be constructed as: $\varphi(z,\bar{z})=\varphi(z)-\bar{\varphi}(\bar{z})\,.$ In this article, we only make the holomorphic part of the bosonic field dynamic and leave the anti-holomorphic part non-dynamic. While this boson is called a chiral boson and the corresponding vertex operators are called chiral vertex operators. A chiral vertex operator may be written as $V_{\alpha}(z)=e^{\alpha\varphi(z)},$ its conjugation is $(V_{\alpha}(z))^{*}=e^{-\alpha\varphi(z^{*})}=V_{-\alpha}(z^{*}).$ However, we just consider the case that $\alpha=1$ and denote $\displaystyle V(z)=e^{\varphi(z)}\,\,,\,\,V^{*}(z)=e^{-\varphi(z)}.$ (3.6) From modes expansion and Heisenberg algebra (3.4), we can calculate the OPEs of $V(z)$ and $V^{*}(z^{\prime})$: $\displaystyle:V(z)::V(z^{\prime}):$ $\displaystyle=$ $\displaystyle:VV(z^{\prime}{}):(z-z^{\prime})+reg.$ (3.7) $\displaystyle:V^{*}(z)::V^{*}(z^{\prime}):$ $\displaystyle=$ $\displaystyle:V^{*}V^{*}(z^{\prime}{}):(z-z^{\prime})+reg.$ $\displaystyle:V^{*}(z)::V(z^{\prime}):$ $\displaystyle=$ $\displaystyle:V^{*}V(z^{\prime}):\frac{1}{(z-z^{\prime})}-\partial{\varphi(z^{\prime})}+reg.$ (3.8) $\displaystyle:V(z)::V^{*}(z^{\prime}):$ $\displaystyle=$ $\displaystyle:VV^{*}(z^{\prime}):\frac{1}{(z-z^{\prime})}+\partial{\varphi(z^{\prime})}+reg.,$ here $reg.$ means regular terms. The singular parts of these OPEs are the same as those of chiral fermions in eq.(3.2). However chiral fermions have no self- contractions they are not completely the same as $V$ and $V^{*}$. Nevertheless according to Pauli’s exclusive principle, namely the fermionic statistics, the correlation function of fermions is related to Slater determinant $\displaystyle\langle vac|\prod_{i=1}^{N}\psi(z_{i})\prod_{j=1}^{N}\psi^{*}(w_{j})|vac\rangle$ $\displaystyle=$ $\displaystyle\langle 0|\prod_{i=1}^{N}V(z_{i})\prod_{j=1}^{N}V^{*}(w_{j})|0\rangle$ $\displaystyle={\rm Det}(\frac{1}{z_{i}-w_{j}})$ $\displaystyle=$ $\displaystyle\frac{\prod_{i<j}(z_{i}-z_{j})(w_{i}-w_{j})}{\prod_{i,j=1}^{N}(z_{i}-w_{j})}\,.$ (3.9) It reminds us the miraculous boson/fermion correspondence. Therefore during the calculation of the correlation function, we can replace all fermionic fields by bosonic vertex operators such that $\psi(z)\sim V(z)=e^{\varphi(z)}\,,\quad\psi^{*}(z)\sim V^{*}(z)=e^{-\varphi(z)}\,.$ (3.10) However, we need to bear it in mind that chiral fermions are not exactly these vertex operators because of the different self OPEs. Secondly there could be different numbers of $V$ and $V^{*}$ in the correlation function by carefully choosing the charges of bra and ket vacua. But if there are different number of $\psi$ and $\psi^{*}$, the correlation function is automatically vanishing. In another way, since both fermionic and bosonic theories have the same $U(1)$ symmetry, the charge is measured by the number of $\partial\varphi(z)$ in the bosonic theory and $\psi\psi^{*}(z)$ in the fermionic theory. Hence we have the fermionization as follows: $\partial\varphi(z)=(\psi\psi^{*})(z)\,,$ (3.11) in terms of the modes expansion that is $a_{n}=\sum_{r\in{\mathbb{Z}}+1/2}:\psi_{n-r}\psi^{*}_{r}:\,.$ ### 3.2 Generating Functions In the following we denote $V_{+}$ and $V_{-}$ as the positive and negative modes part of $e^{\varphi}$ and $V_{+}^{*}$ and $V_{-}^{*}$ as the corresponding part of $e^{-\varphi}$, that is, $\displaystyle V_{+}(z)=\exp\left\\{\sum_{n>0}\frac{a_{n}}{-n}z^{-n}\right\\},\quad V_{-}(z)=\exp\left\\{\sum_{n>0}\frac{a_{-n}}{n}z^{n}\right\\},$ (3.12) $\displaystyle V_{+}^{*}(z)=\exp\left\\{\sum_{n>0}\frac{a_{n}}{n}z^{-n}\right\\},\quad V_{-}^{*}(z)=\exp\left\\{\sum_{n>0}\frac{a_{-n}}{-n}z^{n}\right\\}\,.$ They form four types of generating functions of Schur functions, namely $\displaystyle\prod_{i}V_{-}(z_{i})$ $\displaystyle=$ $\displaystyle\sum_{\lambda}s_{\lambda}(z_{i})s_{\lambda}(a_{-}),$ (3.13) $\displaystyle\prod_{i}V_{+}^{*}(z_{i})$ $\displaystyle=$ $\displaystyle\sum_{\lambda}s_{\lambda}(z_{i}^{-1})s_{\lambda}(a_{+}),$ (3.14) $\displaystyle\prod_{i}V^{*}_{-}(z_{i})$ $\displaystyle=$ $\displaystyle\sum_{\lambda}(-1)^{|\lambda|}s_{\lambda}(z_{i})s_{\lambda^{t}}(a_{-}),$ (3.15) $\displaystyle\prod_{i}V_{+}(z_{i})$ $\displaystyle=$ $\displaystyle\sum_{\lambda}(-1)^{|\lambda|}s_{\lambda}(z_{i}^{-1})s_{\lambda^{t}}(a_{+}).$ (3.16) We will use these generating functions frequently in our calculation. They also can be deduced from four basic generating functions such that: $\displaystyle V_{-}(z)$ $\displaystyle=$ $\displaystyle\sum_{r\in\mathbb{Z}^{+}}s_{(r)}(z)s_{(r)}(a_{-})$ (3.17) $\displaystyle V_{-}^{*}(z)$ $\displaystyle=$ $\displaystyle\sum_{r\in\mathbb{Z}^{+}}(-)^{r}s_{(r)}(z)s_{(1^{r})}(a_{-})$ $\displaystyle V_{+}(z)$ $\displaystyle=$ $\displaystyle\sum_{r\in\mathbb{Z}^{+}}(-)^{r}s_{(r)}(1/z)s_{(1^{r})}(a_{+})$ $\displaystyle V_{-}^{*}(z)$ $\displaystyle=$ $\displaystyle\sum_{r\in\mathbb{Z}^{+}}s_{(r)}(1/z)s_{(r)}(a_{+})\,,$ where $(r)$ ($(1^{r})$) denotes a length-$r$ horizontal (vertical) Young diagram. Actually, the Schur polynomials of the horizontal and vertical Young diagrams are the same as the complete (homogeneous) and elementary symmetric polynomials respectively, that is, $s_{(r)}(z)=h_{r}(z),\quad s_{(1^{r})}=e_{r}(z)\,.$ ### 3.3 Fermionic Vacua and Maya/Young Correspondence The vacuum of free fermion theory corresponds to a filled Dirac sea. Firstly, for the ket vacuum, we denote $|\Omega\rangle$ as the ’fake’ vacuum of the theory, which is annihilated by all modes of $\psi$ but not $\psi^{*}$. Since $\psi^{*}$ is the anti-particle field of $\psi$, the positive modes of $\psi^{*}$ should be understood as creation operators of anti-particles. The ’real’ (physical) ket vacuum should have a natural Dirac sea structure and is denoted by $|vac\rangle$ and defined as $|vac\rangle=\psi_{1/2}^{*}\psi_{3/2}^{*}\psi_{5/2}^{*}\cdots|\Omega\rangle\,.$ (3.18) The bra vacuum could be defined by conjugation of ket vacuum $\langle vac|=\langle\Omega|\cdots\psi_{-5/2}\psi_{-3/2}\psi_{-1/2}\,.$ A unitary excitation on the ket vacuum $|vac\rangle$ always contains pairs of particle-anti-particle. To track the sign of the excited state, we would better define an excited state as follows $(-)^{\sum_{i}^{n}s_{i}-1/2}\prod_{i=1}^{n}\psi_{-r_{i}}\psi^{*}_{-s_{i}}|vac\rangle\,,$ (3.19) where the subscripts $r_{i},s_{i}$ are positive half integers ($\mathbb{Z}_{>0}-1/2$). Since the choice of particle or anti-particle is arbitrary we could choose the ’fake’ vacuum $|\Omega^{\prime}\rangle$ as the one annihilated by all modes of $\psi^{*}$. Therefore the definition of bra and ket vacua should be changed as $\displaystyle|vac^{\prime}\rangle=\psi_{1/2}\psi_{3/2}\psi_{5/2}\cdots|\Omega^{\prime}\rangle$ $\displaystyle\langle vac^{\prime}|=\langle\Omega^{\prime}|\cdots\psi^{*}_{-5/2}\psi^{*}_{-3/2}\psi^{*}_{-1/2}\,.$ Similarly we can define corresponding excited states. There is a transformation switching these two choices of vacua which is called an involution and denoted by $\omega$. It acts on the states and operators as follows $\displaystyle\omega:|\Omega\rangle\rightarrow|\Omega^{\prime}\rangle\,,\quad\psi^{*}_{n}\rightarrow(-)^{n}\psi_{n}\,,\quad\psi_{n}\rightarrow(-)^{n}\psi^{*}_{n}\,.$ (3.20) For states defined by eq. (3.19), we can use Maya diagram to demonstrate the excitations. For example, the Maya diagram corresponding to the vacuum is shown in fig. 1a. An excited state can be obtained by exchanging certain white and black dots of the vacuum Maya diagram. For example Fig. 1b. shows an excited state denoted by $(r_{1}=3/2,r_{2}=1/2,s_{1}=5/2,s_{2}=1/2)$. There is an amazing correspondence between Maya diagrams and Young diagrams. For each white/black dot, we assign a unit leftward/downward line segment connected end to end. Hence a Maya diagram corresponds to a unique Young diagram in this setup. Thus the subscripts $r_{i},s_{i}$ are Frobenius coordinates defining the Young diagram. Fig. 1c. shows the corresponding Young diagram of Maya diagram in Fig. 1b. which is $\\{2,2,1\\}$. As shown in [14], the excitation states defined in this way are Schur states in fermionic operator representation. Figure 1: a. The Maya diagram for the vacuum, b. the Maya diagram for the excited state $(r_{1}=3/2,r_{2}=1/2,s_{1}=5/2,s_{2}=1/2)$, c. the corresponding Young diagram of b. ## 4 Curve driving Patch-Shifting Previously, we have considered the definition of bosonic and fermionic theory on the complex plane. However, we are more interested in theory on special Riemann surface with punctures and also defects [15]. By special we mean the Riemann surface is obtained by gluing various regions, with defects inserted at fix points. To obtain Riemann Surface with more complicated topology, we need to define theories on tubes and pants. A conformal field theory defined on a tube is a boundary CFT (BCFT) [11] with two boundary conditions. While on a pants, the corresponding CFT is a BCFT with three boundary conditions. However, the problem at hand differs from a BCFT problem because the theory is not defined on a simple Riemann surface but with defect inserted. Precisely, we have a core region in the toric structure of $\mathbb{C}^{3}$ and three asymptotic regions which are local patches and can be transited among themselves. A defect is inserted at point $z=1$333The defect could be anywhere on the complex plane, however, by global conformal transformation, it can be fixed at point 1 without loss of generality.. Therefore a BCFT analysis may fail in this case. As shown in [7], the Riemann surface corresponding to toric Calabi-Yau could be defined patch by patch and there are some symplectic transformations of coordinates of local patches. A simpler case for two-punctured theory can be obtained by joining two patches together. That is to say, if we define a theory on a local patch associated with one of these two punctures, then another theory on another local patch, these two theories can be related to each other by patch-shifting transformation, which is a symplectic transformation. The cut and join operation should preserve the symplectic transformation from one patch to another. Symplectic transformation is an area-preserving operation which is compatible with the measure on Riemann surface. ### 4.1 The $\mathcal{W}_{1+\infty}$ Algebra Now for an infinite cylinder, the symplectic form is $\Omega=dx\wedge dp\,,$ hence the symplectic transformation of $x$ is $x\rightarrow x+\epsilon(x)=x+f(p)=x+\sum_{n=0}^{\infty}f_{n}p^{n}\,.$ (4.1) The transformation of a quantum chiral scalar field associated with the change of the local coordinate $\delta x=\epsilon(x)$ is implemented by the operator $\oint T(x)\epsilon(x)\frac{dx}{2\pi i},$ (4.2) where the stress tensor for chiral boson theory is $T(x)=\frac{1}{2}[\partial\varphi\partial\varphi](x)\,.$ The observables of the chiral bosonic theory correspond to variations of the complex structure at infinity. On each patch this is described by the modes of a chiral boson $\varphi(x)$, defined by $\partial\varphi(x)=p(x)\,.$ Now the symplectic transformation has an operator expression, namely $\displaystyle\oint T(x)\epsilon(x)\frac{dx}{2\pi i}$ $\displaystyle=$ $\displaystyle\lim_{x^{\prime}{}\rightarrow x}\oint\frac{1}{4\pi i}[\partial\varphi\partial\varphi](x)\sum_{n\geq 0}f_{n}[(\partial\varphi)^{n}](x^{\prime}{})dx$ $\displaystyle=$ $\displaystyle\frac{1}{2}\sum_{n\geq 0}(n+2)!f_{n}W_{0}^{n+2}(x)+terms\,\,involve\,\,(\partial^{3}\varphi)\,.$ $W_{0}^{n}$ is the zero mode of free (non-interacting) $\mathcal{W}^{n}$ transformation which is defined by $\displaystyle W^{n}(z)$ $\displaystyle=$ $\displaystyle\frac{1}{n!}(z\partial_{z}\varphi(z))^{n}$ (4.4) $\displaystyle W^{n}_{m}$ $\displaystyle=$ $\displaystyle\oint\frac{1}{2\pi iz}\frac{1}{n!}z^{-m+n}(\partial_{z}\varphi(z))^{n}$ $\displaystyle=$ $\displaystyle\frac{1}{n!}\sum_{k_{i}=-\infty}^{\infty}\delta\left((\sum_{i=1}^{n}k_{i})-m\right)\left(:a_{-k_{1}}a_{-k_{2}}\cdots a_{-k_{n}}:\right)\,,$ up to some constant ground energy due to normal ordering. In the derivation, it is useful to apply the coordinate transformation from the cylindrical coordinates to the complex plane ones $z=e^{x}$. Thus $z^{-1}dz=dx,\partial_{x}=z\partial_{z}\,,\partial\varphi(x)=z\partial_{z}\varphi(z)=\sum_{n}a_{n}z^{n},\,.$ The appearance of a term containing $\partial^{3}\varphi$ in eq. (4.1) reflects the non-associativity (and also non-commutation) of operator expansion product meaning $[A[BC]](z)\neq[[AB]C](z)\,.$ This is crucial in the derivation of operator formalism of a given integral formula. Next we will use $W^{3}_{0}$ and $W^{4}_{0}$ as two examples to explain it. Firstly, we have $\displaystyle[\partial_{x}\varphi\partial_{x}\varphi\partial_{x}\varphi](x)=z^{3}[(\partial_{z}\varphi)^{3}](z)$ $\displaystyle=$ $\displaystyle\frac{z^{3}}{2\pi i}\oint_{z}\frac{1}{z^{\prime}{}-z}\partial_{z^{\prime}{}}\varphi(z^{\prime}{})[\partial_{z}\varphi\partial_{z}\varphi](z)dz^{\prime}{}$ while $\displaystyle[(\partial_{x}\varphi)^{3}](x)+[\partial_{x}^{3}\varphi](x)$ $\displaystyle=$ $\displaystyle\frac{z^{3}}{2\pi i}\oint_{z}\frac{1}{z^{\prime}{}-z}[\partial_{z^{\prime}{}}\varphi\partial_{z^{\prime}{}}\varphi](z^{\prime}{})\partial_{z}\varphi(z)dz^{\prime}{}\,.$ Secondly, by using the modes expansion as we defined before, we have the bosonic operator formalism of (4.1) such that $\displaystyle W^{3}_{0}$ $\displaystyle=$ $\displaystyle\frac{1}{6}\oint_{x}dx\frac{1}{2\pi i}[\partial_{x}\varphi\partial_{x}\varphi\partial_{x}\varphi](x)$ $\displaystyle=$ $\displaystyle\frac{1}{2}\sum_{n,m>0}(a_{-n-m}a_{m}a_{n}+a_{-n}a_{-m}a_{n+m})+\frac{1}{2}\sum_{n>0}a_{0}a_{-n}a_{n}+\frac{1}{6}a_{0}^{3}\,.$ In another way, the bosonic operator formalism of (4.1) gives rise to $\displaystyle\widetilde{W}^{3}_{0}$ $\displaystyle=$ $\displaystyle\frac{1}{6}\oint_{x}dx\frac{1}{2\pi i}\left([(\partial_{x}\varphi)^{3}](x)+[\partial_{x}^{3}\varphi](x)\right)=W^{3}_{0}+\frac{1}{3}a_{0}\,.$ (4.9) Here $a_{0}=p_{0}$ is the momentum of the center of mass. Hence the last term is not an important correction for the spectrum of $W^{3}_{0}$. But it is fascinating for us that $\frac{1}{3}a_{0}$ also appears in the fermionic side which seems to provide further evidence for Boson-Fermion correspondence and we will proceed to that point later. The non-associative property leads to a severe problem, that is $[W^{n},W^{m}]\neq 0,\,\,for\,\,n\neq m\,.$ This is a displeasing result since we would expect a $\mathcal{W}_{1+\infty}$ symmetry to generate the integrability, which means there are infinite many conserved currents commuting with each other. Another problem is that it is difficult to construct the exact form of $W^{n}$ in terms of bosonic fields. However, the difference of $W^{3}_{0}$ and $\widetilde{W}^{3}_{0}$ reveals a simple fact: the difference is just a total derivative! Actually, $\widetilde{W}_{0}^{3}$ rather than $W^{3}_{0}$ is the one included in the $\mathcal{W}_{1+\infty}$ algebra. If we proceed to the fourth $W$ generator, there are three different choices. An arduous way to find the correct one is to apply the commutation on those choices with the lower order $W$ generators to check which one gives rise to zero simultaneously. However, it turns out to be simpler to approach this problem from the fermionic picture and we will elaborate it next. Up to a total derivative, we see that $W^{3}$ is the same as $\widetilde{W}^{3}$. Moreover we can use a $\partial$-cohomology definition of $\mathcal{W}_{1+\infty}$ algebra which means the algebra is closed upon modulo all total derivatives. Then we get a good definition of $W^{n}$ algebra in terms of the bosonic formalism $W^{n}(z)=\frac{1}{n!}(\partial\varphi)^{n}\,(mod\,\,\partial)\,.$ This observation was known long ago since Dijkgraaf’s paper [17]. However, the derivation is not exactly the same. Actually it is quite astonishing for us. Since we are only considering how free chiral boson CFT goes from one patch to another patch keeping some symplectic symmetries, then we obtain the chiral boson theory which turns out to be a Kodaira-Spencer-like one as the previous work [17] by Dijkgraaf. ### 4.2 Fermionic Representation We want to check the non-associative property in a fermionic picture. Firstly we consider the $W^{3}_{0}$ case. Since there is no significant difference between $W^{3}_{0}$ and $\widetilde{W}^{3}_{0}$ it is sufficient to examine $W^{3}_{0}$. From fermionization $\partial_{z}\varphi(z)=\psi\psi^{*}(z)\,,$ we can write down the fermionic formalism of $W^{3}_{0}$ as $\displaystyle 6W^{3}(w)$ $\displaystyle=$ $\displaystyle\oint_{z}\frac{dz}{2\pi i(z-w)}[\psi\psi^{*}](z)[-\psi\partial_{w}\psi^{*}-\psi^{*}\partial_{w}\psi](w)$ $\displaystyle=$ $\displaystyle-\oint_{z}\left(\frac{\psi(z)\partial_{w}\psi^{*}(w)}{(z-w)^{2}}+\frac{\psi^{*}(z)\psi(w)}{(z-w)^{3}}\right)\frac{dz}{2\pi i}$ $\displaystyle+$ $\displaystyle\oint_{z}\left(\frac{\psi^{*}(z)\partial_{w}\psi(w)}{(z-w)^{2}}+\frac{\psi(z)\psi^{*}(w)}{(z-w)^{3}}\right)\frac{dz}{2\pi i}$ $\displaystyle=$ $\displaystyle 2[\partial\psi^{*}\partial\psi](w)+\frac{1}{2}[\partial^{2}\psi\psi^{*}](w)-\frac{1}{2}[\partial^{2}\psi^{*}\psi](w)\,.$ To get the first equality, we used the well-known result that $[\partial\varphi\partial\varphi](w)=-[\psi\partial\psi^{*}+\psi^{*}\partial\psi](w)\,.$ Actually, it can be treated as the first generalization of Boson-Fermion correspondence. The fermionic modes expansion leads to an operator formalism of $W_{0}^{3}$, namely $W_{0}^{3}=\frac{1}{2}\sum_{r\in\mathbb{Z}_{>0}-\frac{1}{2}}\left(r^{2}+\frac{1}{12}\right)(\psi_{-r}\psi^{*}_{r}-\psi^{*}_{-r}\psi_{r})\,.$ (4.11) Similarly, $\widetilde{W}_{0}^{3}$ has a fermionic expression $6\widetilde{W}^{3}(w)=\frac{3}{2}[\partial^{2}\psi\psi^{*}-\partial^{2}\psi^{*}\psi](w)\,,$ (4.12) and the operator formalism $\widetilde{W}_{0}^{3}=\frac{1}{2}\sum_{r\in\mathbb{Z}^{+}-1/2}\left(r^{2}+\frac{3}{4}\right)(\psi_{-r}\psi^{*}_{r}-\psi^{*}_{-r}\psi_{r})=W^{3}_{0}+\frac{1}{3}a_{0}\,,$ (4.13) where we substituted $a_{0}=\sum_{r}:\psi_{-r}\psi^{*}_{r}:$. In the last equality of (4.2), the first term could be rewritten as $2\partial\psi^{*}\partial\psi=\partial(\psi^{*}\partial\psi-\psi\partial\psi^{*})-\psi^{*}\partial^{2}\psi+\psi\partial^{2}\psi^{*}\,.$ The operator formalism perfectly matches with previous bosonic result. A byproduct of this result is the generalization of Boson-Fermion correspondence to higher derivatives. For example we have the second generalization formula: $\displaystyle[\partial^{2}\psi\psi^{*}-\partial^{2}\psi^{*}\psi](z)$ $\displaystyle=$ $\displaystyle\frac{2}{3}[(\partial\varphi)^{3}+\partial^{3}\varphi](z)\,.$ (4.14) Secondly the OPE method could be easily generalized to $W^{4}_{0}$ case while there are three ways of multiplication $[\partial\varphi][(\partial\varphi)^{3}],\,\,[(\partial\varphi)^{2}][\partial\varphi)^{2}]\,,\,\,[(\partial\varphi)^{3}][\partial\varphi]\,.$ Hence there are three kinds of fourth-level Boson-Fermion correspondence as follows: $\displaystyle[(\partial\varphi)^{4}]$ $\displaystyle=$ $\displaystyle\left([\frac{3}{2}\partial\psi\partial^{2}\psi^{*}+\frac{1}{6}\partial^{3}\psi\psi^{*}]+\\{\psi\leftrightarrow\psi^{*}\\}\right)$ $\displaystyle\quad+[2\partial\psi^{*}\partial\psi\psi\psi^{*}]$ $\displaystyle\,[(\partial\varphi)^{2}][\partial\varphi)^{2}]$ $\displaystyle=$ $\displaystyle[2\partial^{3}\varphi\partial\varphi+(\partial\varphi)^{4}]$ $\displaystyle=$ $\displaystyle\left([\frac{4}{3}\partial^{3}\psi\psi^{*}-\partial^{2}\psi\partial\psi^{*}]+\\{\psi\leftrightarrow\psi^{*}\\}\right)$ $\displaystyle\quad-[2\partial\psi^{*}\partial\psi\psi\psi^{*}]$ $\displaystyle\,[(\partial\varphi)^{3}][\partial\varphi]$ $\displaystyle=$ $\displaystyle[3\partial^{3}\varphi\partial\varphi+3(\partial^{2}\varphi)^{2}+(\partial\varphi)^{4}]$ $\displaystyle=$ $\displaystyle\frac{5}{3}\left[\partial^{3}\psi\psi^{*}+\partial^{3}\psi^{*}\psi\right]$ $\displaystyle\quad+[2\partial\psi^{*}\partial\psi\psi\psi^{*}]\,.$ These results have not modulo total derivatives yet. It is quite difficult to write down the operator formalism. All of them contain four-fermion terms which in general will spoil the integrable structure. If we use the $\partial$-cohomology definition, these three are the same up to total derivatives and constant factors. In fermionic picture, the $W^{4}$444We do not distinguish $W$ and $\tilde{W}$ explicitly from now on. could be rewritten as $\displaystyle W^{4}(w)$ $\displaystyle=$ $\displaystyle\frac{1}{4}\oint\frac{dz}{2\pi i(z-w)}W^{3}(z)\psi\psi^{*}(w)$ $\displaystyle=$ $\displaystyle\frac{1}{24}\oint\frac{dz}{2\pi i(z-w)}\frac{3}{2}[\partial^{2}\psi\psi^{*}-\partial^{2}\psi^{*}\psi](z)[\psi\psi^{*}](w)$ $\displaystyle=$ $\displaystyle\frac{1}{12}(\partial^{3}\psi\psi^{*}+\partial^{3}\psi^{*}\psi)(w)\,.$ A recursive derivation shows that the generic $W^{n}$ can be expressed as $\displaystyle W^{n}(z)=\frac{1/2}{(n-1)!}\left(\partial^{n-1}\psi\psi^{*}+(-)^{n}\partial^{n-1}\psi^{*}\psi\right)\,.$ (4.16) Therefore $W^{n}_{0}$ have distinct expressions for odd and even $n$’s. For odd $n$, $W^{n}_{0}\propto\sum_{r\in\mathbb{Z}^{+}-1/2}(\text{even power polynomial of}\,\,r)(\psi_{-r}\psi^{*}_{r}-\psi^{*}_{-r}\psi_{r})\,,$ (4.17) and for even $n$ $W^{n}_{0}\propto\sum_{r\in\mathbb{Z}^{+}-1/2}(\text{odd power polynomial of}\,\,r)(\psi_{-r}\psi^{*}_{r}+\psi^{*}_{-r}\psi_{r})\,\,.$ (4.18) Especially, the exact form of $W^{4}_{0}$ gives rise to $W^{4}_{0}=\left(\frac{r^{3}}{6}+\frac{23r}{24}\right)(\psi_{-r}\psi^{*}_{r}+\psi^{*}_{-r}\psi_{r})\,.$ (4.19) A bonus of this fermionic operator formalism is that it reveals the integrable structure explicitly inherited from free fermions. The reason is that an eigenvector of these $W$ operators is formed by those pair excitations of fermions (3.19) above Dirac sea as discussed before. This argument actually provides a proof of a conjecture proposed in [7] where they pointed out that the Kodaira-Spencer chiral bosonic CFT exactly act like free chiral fermions. We have a stronger result that for a chiral boson action involving $(\partial\varphi)^{n}$ ($n$ arbitrary) interactions, the fundamental theory is a free fermion theory. Although the bosonic theory is in general quite difficult to deal with, the corresponding fermionic one is rather simple. Moreover the integrable structure is explicit. ### 4.3 Quantum Curve and Patch-Shifting Now we consider the quantum curve for $\mathbb{C}^{3}$, which dominants the behavior of patch-shifting. Actually, the curve under consideration has distinct representation as a core and an asymptotic part, which are related by an $S$ transformation. In [7, 6, 9, 19] and [25], $\mathbb{C}^{3}$ has a mirror manifold defined by the algebraic equation $zw-e^{p}-e^{x}-1=0\,,$ (4.20) the core curve of $\mathbb{C}^{3}$ is understood as $e^{p}+e^{x}+1=0\,.$ (4.21) A quantization of this curve is to require a basic commutation relation $[p,x]=g_{s}\,,\quad p=g_{s}\partial_{x}\,.$ A toric Calabi-Yau three-fold can be treated as gluing of various local $\mathbb{C}^{3}$. Therefore it is not sufficient to know the core region geometry of $\mathbb{C}^{3}$ without knowing the asymptotic one of it. In [2, 22], the Ooguri-Vafa operator actually does the work of gluing core and asymptotic region. The asymptotic region can be obtained by the $S$ transformation of core region geometry. This $S$ transformation is a generator of the modular group $PSL(2,\mathbb{Z})$. Another generator of the modular group is $T$ transformation, which plays a role of framing changing, see [7] for a detailed analysis. Acting on canonical doublet $(x,p)$, $S$ and $T$ have the matrix representation: $\displaystyle S=\left(\begin{array}[]{cc}0&1\\\ -1&0\end{array}\right)\,\,\,,T=\left(\begin{array}[]{cc}1&1\\\ 0&1\end{array}\right)\,.$ (4.26) It is easy to check the relation that $ST=\left(\begin{array}[]{cc}0&1\\\ -1&-1\end{array}\right)\,,\quad(ST)^{3}=1\,.$ It is well known that $ST$ transformation generates a $Z_{3}$ subgroup of $PSL(2,\mathbb{Z})$. From $S$ transformation we obtain the curve in asymptotic region $e^{-x}+e^{p}+1=0\,.$ (4.27) However, there are actually three different asymptotic regions of $\mathbb{C}^{3}$, reflecting the fact that the toric diagram of $\mathbb{C}^{3}$ has three legs. Therefore the curve (4.27) should be triply degenerate. It is easy to check the invariance of (4.27) under $ST$. If we denote these three patches as $u,v,w$-patch respectively and define a cyclic relation $u=p_{w}=g_{s}\partial_{w}\,,\quad v=p_{u}=g_{s}\partial_{u}\,,\quad w=p_{v}=g_{s}\partial_{v}\,,$ then the $\mathbb{Z}_{3}$ cyclic symmetry is explicit. From the asymptotic curve in $u$-patch, when $u$ goes to infinity, $v$ should become $i\pi$. It bothers a lot in further analysis. A more convenient way is to throw away the $i\pi$ dependence in all three patches, that is, to reparameterize $x\rightarrow x+i\pi,\,\,p\rightarrow p+i\pi\,.$ It changes the core geometry to $e^{x}+e^{p}-1=0\,,$ (4.28) and the asymptotic geometry to $e^{-x}+e^{p}-1=0\,.$ (4.29) Hence the $\mathbb{Z}_{3}$ symmetry is not generated by $ST$ but by the following $U$-transformation [7], $U\left(\begin{array}[]{c}u\\\ v\end{array}\right)=ST\left(\begin{array}[]{c}u\\\ v\end{array}\right)+\left(\begin{array}[]{c}0\\\ i\pi\end{array}\right)\,.$ (4.30) It is straightforward to check that $U$ transformation satisfies $U^{3}=1\,.$ We claim core curve (4.28) and asymptotic curve (4.29) play important roles in patch-shifting. #### 4.3.1 $W^{3}_{0}$ as the generator of $T$ Previously we studied $W$ algebra. However in this article the related symmetry is $W^{3}_{0}$, since the local patches are joint by $T$ transformation and $W^{3}_{0}$ is the generator of $T$. $T$ acts as follows $T:\left(\begin{array}[]{c}u\\\ v\end{array}\right)=\left(\begin{array}[]{c}u+v\\\ v\end{array}\right)\,.$ (4.31) We first notice that $v=g_{s}\partial_{u}$ is expressed as $v=g_{s}\partial_{u}\varphi(u)$ in a chiral boson theory. Then all arguments follow as we have discussed in previous section. The current related to the transformation is simply $W^{3}$. Excitated modes of $W^{3}$ do not contribute because we only consider the asymptotic region on the $u$-patch (or $v$-patch) as $u\rightarrow\infty$ (or $v\rightarrow\infty$). Therefore only vacuum state contributes otherwise the theory will not be unitary. Thus only $W^{3}_{0}$ survives. In summary we conclude that $T$ transformation is generated by $W^{3}_{0}$ multiplied by $g_{s}$. A $T^{n}$ transformation of an eigenfunction $f(u)$ has the standard expression $e^{ng_{s}W^{3}_{0}}f(u)e^{-ng_{s}W^{3}_{0}}=f(u+nv)\,.$ #### 4.3.2 $S$ transformation on the base Now let us consider $S$ transformation on the patches. As we argued before, the $S$ transformation interchanges the canonical pair $(x,p)$ . $x$ and $p$ form a canonical bundle, with the symplectic form as defined previously. The $S$ transformation also preserves the symplectic structure. If we treat $x$ as the base and $p$ the fiber, $S$ transformation actually bends $x$ to its normal direction. From a physical viewpoint, this can be understood as an insertion of a loop defect which bends the base and fiber simultaneously. Therefore the Hamiltonians on both sides of the defect should also be related to each other by $S$ transformation. This is very important in our further analysis. ## 5 Zhou’s Identity and the Topological Vertex In this section, we consider the problem how to obtain partition functions from curves and the underlining symplectic transformations. ### 5.1 Vacuum Partition Function and the Curve of ${\mathbb{C}}^{3}$ Now we look for an eigenfunction of Hamiltonian in the core region $H_{c}(p,x)=e^{x}+e^{p}-1\,,$ where the subindex $c$ denotes the core. In the local $u$-patch with $u$ being a coordinate on a cylinder, we have asymptotic curve $e^{-u}+e^{v}-1=0\,,$ the Hamiltonian in this region in the complex plane coordinates is $H_{a}(L_{0},u)=\frac{1}{z_{1}}+e^{g_{s}L_{0}}-1\,,$ (5.1) where $L_{0}=z_{1}\partial_{z_{1}},\,z_{1}=e^{u},\,z_{2}=e^{v},z_{3}=e^{w}$. It drives the evolution in the asymptotic region that is $z_{1}>1$ region, while in $z_{1}<1$ region, the core curve $H_{c}$ drives the evolution. Now we introduce an anti-B-brane at the infinity of $z_{1}$-plane. The next step is to move it into the core region. This can be treated as an evolution of Hamiltonian. Unfortunately, there are infinitely many evolution paths in the spirit of path integral. Moreover it is quite difficult to approach this problem from a standard Hamiltonian analysis since the Hamiltonian is highly nonlinear. Therefore we need to find a new description of Hamiltonian evolution. Notice the CFT implied by the curve is a Kodaira-Spencer theory, which is equivalent to a free fermion theory. Since a brane (anti-brane) could be understood as a fermion (anti-fermion) insertion in local patch [7], the bosonized fermion (anti-fermion) field will have a representation (ignore the zero modes) $e^{\pm\varphi(z)}=\exp\left(\pm\sum_{n\neq 0}\frac{a_{-n}}{n}z^{n}\right)\,.$ It means the evolution of Hamiltonian can be replaced by infinitely many branes insertions in between $z_{1}=1$ and $z_{1}=\infty$. This is due to the fact radial ordering on a complex plane is a time ordering on cylinder while the later is controlled by the Hamiltonian. The OPEs of branes and anti-branes now can be understood as propagators. However, the positions where B-branes are inserted are arbitrary according to path integral. We may expect a classical equation of motion to determine the orbit completely. However, it is difficult to deal with a quantum system where there are different Hamiltonians in different regions. To simplify the problem a bit in this article we divide the space into the asymptotic region and the core region associate an Hamiltonian with each coordinate charts. We may choose the two coordinate charts to be $U_{a}=\\{z_{1}=e^{u}\in(0,\infty]\\}\,,\,\,U_{c}=\\{z_{1}^{\prime}{}=e^{u^{\prime}{}}\in[0,\infty)\\}$ where $U_{a}$ is dominated by asymptotic Hamiltonian and $U_{c}$ is dominated by core Hamiltonian. In $U_{a}$ chart, we propose the following ansatz equation $\langle 0|H_{a}\exp\left(\sum_{n>0}\frac{a_{n}}{n}z^{-n}\right)\prod_{i\geq 1}^{\infty}V_{-}(w_{i})|0\rangle\equiv 0\,.$ (5.2) Applying (5.1) and moving $q^{L_{0}}$ out of the correlation function, we obtain $\displaystyle\langle 0|(q^{L_{0}}+\frac{1}{z}-1)\exp\left(\sum_{n>0,i\geq 1}\frac{(w_{i}/z)^{n}}{n}\right)|0\rangle$ $\displaystyle=$ $\displaystyle(q^{L_{0}}+\frac{1}{z}-1)\prod_{i=1}^{\infty}(1-w_{i}/z)^{-1}.$ The vanishing condition gives rise to $\prod_{i=1}^{\infty}(1-\frac{w_{i}}{qz})^{-1}=\left(1-\frac{1}{z}\right)\prod_{i=1}^{\infty}(1-w_{i}/z)^{-1}\,.$ Suppose $w_{1}=1$ and a recursion relation $w_{i+1}=q^{-1}w_{i}\,.$ We can prove that it is the solution of the eigen-equation (5.2). The resulting wave function turns out be a quantum dilogarithm [16], namely $\Psi^{*}(u)=\exp\left(\sum_{n>0}\frac{-q^{n}e^{-nu}}{n(n)_{q}}\right)\,,$ (5.3) where $(n)_{q}=1-q^{n}\,.$ The orbit of the branes insertions are then a set of discrete points at $\\{w_{i}=q^{-i+1}\\}$, $(i\geq 1)$. This analysis can be generalized to including the evolution of many anti-branes as well. The insertions of these anti-branes can be understood as the generating function for bra Schur states, namely $\langle 0|\prod_{i}V_{+}^{*}(z_{i})=\sum_{\lambda}\langle\lambda|s_{\lambda}(z_{i})\,.$ We have chosen anti-brane inserted at infinity. Certainly we can consider brane inserted at infinity where a similar analysis leads to the following ansatz equation $\langle 0|H_{a}V_{+}(z)\prod_{i}V_{-}^{*}(w_{i})|0\rangle=0\,.$ Solve the equation we can locate the positions of branes $V_{-}^{*}$’s on the orbit $\\{w_{i}=q^{-i+1},\,i\geq 1\\}\,.$ It is then clear how to determine positions of anti-branes (branes) in $[1,\infty)$. A similar analysis can be done for $U_{c}$ coordinate chart where the branes insertions are near origin ($e^{u}=0$). Hence it will locate the orbit points of anti-branes in the region $(0,1]$ by the ansatz equation $\displaystyle\langle 0|\prod_{i=1}^{\infty}V_{+}^{*}(w_{i})\exp\left(\sum_{n>0}\frac{a_{-n}}{n}z^{n}\right)H_{c}|0\rangle=0\,.$ (5.4) The solution of this equation gives rise to a set of $w_{i}$’s $\\{w_{i}=q^{i-1},\,\,i\geq 1\\}\,.$ The next step is to join these two coordinate charts into a single $u$-patch as we noted. The anti-brane from infinity and the brane from origin meet at point 1 and annihilate each other identically. It actually gives rise to a vacuum partition function in $u$-patch, we get $\displaystyle\langle 0|\prod_{i=1}^{\infty}V_{-}(q^{-i+1})q^{L_{0}}\prod_{j=1}^{\infty}V_{+}^{*}(q^{j-1})|0\rangle$ $\displaystyle=$ $\displaystyle\langle 0|\prod_{i=1}^{\infty}V_{-}(q^{\rho_{i}})\prod_{j=1}^{\infty}V_{+}^{*}(q^{-\rho_{j}})|0\rangle=1\,.$ It is what we expect because when we glue two cylinders into a torus, the torus vacuum partition function can be chosen as 1 due to normalization. However, this result is quite different from the one obtained in [5], where the vacuum partition function is chosen to be MacMahon function. There is a subtle feature need to be clarified. For the vertex operators $V$ and $V^{*}$, if there are no zero modes, it is not a faithful correspondence between fermion and boson. However in this article, zero modes will not play significant roles in many calculations. Only if two charts are joined into a single patch with a defect at point 1, must the contribution of zero modes be retrieved. In that case the contribution will highly depend on the representation of the defect. It is worth comparing the vertex operator formalism with the definition fermionic vacuum. An observation is that suppose we define a correspondence $\displaystyle\psi_{\rho_{i}}\rightarrow V_{-}(q^{\rho_{i}})\,,\,\,\psi^{*}_{-\rho_{j}}\rightarrow V_{+}^{*}(q^{-\rho_{i}})\,,$ (5.6) the Dirac sea structure corresponding to fermionic vacuum now becomes $\cdots\psi_{-5/2}\psi_{-3/2}\psi_{-1/2}\psi^{*}_{1/2}\psi^{*}_{3/2}\psi^{*}_{5/2}\cdots\,.$ Thus it corresponds to inner product of the fermionic vacuum $\langle vac|vac\rangle$ as we obtained in sec. 3 where the fermionic vacuum corresponds to the insertions of branes at infinity and anti-branes at origin. The last paragraph is only a rough idea about the projective relation from vertex operators to fermions. We shall have a more concrete derivation of it in next subsection. ### 5.2 Excited States and the Profile of a Young Diagram Now we consider excited states in $u$-patch555for excited states in $v$\- or $w$-patch, the same argument follows. Firstly, suppose there is an excited state labeled by a Young diagram $\lambda$ inserted at infinity of $u$-patch and there are no excitations on the other two patches. The partition function is $\displaystyle\langle\lambda|\prod_{i>0}V_{-}(q^{\rho_{i}})\prod_{j>0}V_{+}^{*}(q^{-\rho_{j}})|0\rangle=s_{\lambda}(q^{\rho})\,.$ (5.7) A slightly more complicated case is that besides $\lambda$ there is also an excited state labeled by $\mu$ at the origin of $u$-patch. The the partition function is $\langle\lambda|\prod_{i\geq 1}V_{-}(q^{\rho_{i}})\prod_{j\geq 1}V_{+}^{*}(q^{-\rho_{j}})|\mu\rangle=\sum_{\eta}s_{\lambda/\eta}(q^{\rho})s_{\mu/\eta}(q^{\rho})\,.$ (5.8) To obtain the equality we have used $\displaystyle\sum_{\eta}\langle\lambda|\prod_{j}V_{-}(z_{j})|\eta\rangle$ $\displaystyle=$ $\displaystyle\sum_{\eta,\xi}\langle 0|s_{\lambda}(a_{+})s_{\eta}(a_{-})s_{\xi}(a_{-})|0\rangle s_{\xi}(z_{j})$ $\displaystyle=$ $\displaystyle\sum_{\eta,\theta,\xi}c_{\eta\theta}^{\lambda}\langle\theta|\xi\rangle s_{\xi}(z_{j})=\sum_{\eta,\xi}c_{\eta\xi}^{\lambda}s_{\xi}(z_{j})=\sum_{\eta}s_{\lambda/\eta}(z_{j})\,,$ where $s_{\lambda/\eta}$ is a skew Schur polynomial and $c_{\eta\xi}^{\lambda}$ is the Littlewood-Richardson coefficient defined by $s_{\lambda/\eta}=\sum_{\theta}c_{\eta\theta}^{\lambda}s_{\theta}\,.$ Since we argued in previous section, branes and anti-branes can be inserted not only at the infinity of a given patch, but also at the point 1 (more precisely, on the unit circle). Although we have calculated the simple case for excitations near the origin and infinity on a complex plane it would be quite interesting to ask the question about excitations in the bulk near point 1. It corresponds to the case of joining two charts into a single patch with some defect inserted at point 1. In a local patch, the unit circle does not belong to either the asymptotic region or the core region. Previously we considered the insertion of vacuum at point 1 the fermionic vacuum becomes products of $V_{-}$ and $V_{+}^{*}$’s, with all $V_{-}$’s ($V_{+}^{*}$’s) located to the left (right) side of point 1, namely $V_{-}$’s are in the asymptotic region corresponding to the outgoing modes and $V_{+}^{*}$’s are in the core region corresponding to the incoming modes. Now we consider a fermionic excited state labeled by Young diagram $\nu$. In the fermionic picture, it is an excited state from Dirac sea. The $\nu$ state can be written down according to the profile of the Young diagram $\nu$. As in fig. 2, where $\nu=\\{5,4,2,1\\}$ the corresponding fermionic excitations are $\cdots\psi_{-11/2}\psi^{*}_{-9/2}\psi_{-7/2}\psi^{*}_{-5/2}\psi_{-3/2}\psi_{-1/2}\psi^{*}_{1/2}\psi_{3/2}\psi^{*}_{5/2}\psi_{7/2}\psi^{*}_{9/2}\cdots\,\,.$ Figure 2: An example of a fermionic excited state and the corresponding Young diagram For a general $\nu$, the modes of $\psi$ (white dots) belong to the set $\left\\{\cdots,\,\,\nu^{t}_{3}-3+\frac{1}{2}\,,\,\nu^{t}_{2}-2+\frac{1}{2},\,\,\nu^{t}_{1}-1+\frac{1}{2}\right\\}\equiv\\{\nu^{t}+\rho\\}\,.$ (5.9) Similarly the modes of $\psi^{*}$ (black dots) belong to the set $\left\\{-\nu_{1}+1-\frac{1}{2},\,\,-\nu_{2}+2-\frac{1}{2},\,\,-\nu_{3}+3-\frac{1}{2},\,\cdots\right\\}\equiv\\{-\nu-\rho\\}\,.$ (5.10) In this fermionic picture, it is clear that presumably, there is an infinity height fermionic tower at point $e^{u}=1$. This tower will expand to elsewhere in $u$-patch due to quantum shift. For the case $\nu=\phi$, the empty set, we have already seen this quantum shift changes the vacuum Dirac sea to an infinite products of $V$ and $V^{*}$’s. Actually, it is very simple to deduce from the curve. At point $z_{1}=1$, the Hamiltonian just becomes $H(L_{0},1)=q^{L_{0}}\,.$ The fermionic modes expansion becomes $\psi(1)=\sum_{r\in\mathbb{Z}-\frac{1}{2}}\psi_{r}\,,\,\,\psi^{*}(1)=\sum_{r\in\mathbb{Z}-\frac{1}{2}}\psi^{*}_{r}\,.$ In a quantum manner, all excitations are including in multi-products of these fields. For the physical vacuum $vac$, it is a multi-product in sequence as $\cdots\psi_{-5/2}\psi_{-3/2}\psi_{-1/2}\psi^{*}_{1/2}\psi^{*}_{3/2}\psi^{*}_{5/2}\cdots\,\,.$ Hamiltonian at point 1 is a transport operator moving all $\psi$\- fields to the left of 1 and $\psi^{*}$-fields to the right of 1. Further according to the bosonization formula, we reproduce the vacuum partition function as $\displaystyle\langle 0|\prod(q^{L_{0}}V_{-}(1))q^{L_{0}}\prod(V_{+}^{*}(1)q^{L_{0}})|0\rangle\,.$ (5.11) It is just another expression of (5.1). Here the left (right) transporting behavior is transferred to left (right) action on the vertex operators. It proves the projective relation as we mentioned in eq. (5.6). If we want to generalize the analysis to a generic $\nu$ state, then we just need to reshuffle (5.11) according to the profile 666here profile means the sequence of $V_{-}$ and $V^{*}_{+}$’s is determined according to the profile by the projective relation of the Young diagram of $\nu$. Hence it gives rise to $\displaystyle\langle 0|\prod_{\text{profile}\,\,\nu}V_{-}(q^{\nu^{t}+\rho})V_{+}^{*}(q^{-\nu-\rho})|0\rangle\,.$ (5.12) Moving all $V_{+}^{*}$’s to the right side of all $V_{-}$’s we get $\displaystyle\langle 0$ $\displaystyle|\prod_{\text{profile}\,\,\nu}V_{-}(q^{\nu^{t}+\rho})V_{+}^{*}(q^{-\nu-\rho})|0\rangle$ $\displaystyle=$ $\displaystyle\prod_{(i,j)\in\nu}\frac{1}{1-q^{h(i,j)}}\equiv Z_{\nu}(q)\,,$ where $\displaystyle Z_{\nu}(q)$ $\displaystyle:=$ $\displaystyle\prod_{i,j\in\nu}\frac{1}{1-q^{h(i,j)}}=Z_{\nu^{t}}(q)$ $\displaystyle=$ $\displaystyle(-)^{|\nu|}\prod_{(i,j)\in\nu}\frac{q^{-h(i,j)}}{1-q^{-h(i,j)}}$ $\displaystyle=$ $\displaystyle(-)^{|\nu|}q^{-||\nu||/2-||\nu^{t}||/2}\prod_{(i,j\in\nu)}\frac{1}{1-q^{-h(i,j)}}\,,$ with $h(i,j)$ being the hook length of square $(i,j)$ in $\nu$. Notice that $Z_{\nu}$ is neither $s_{\nu}(q^{-\rho})$ nor $s_{\nu^{t}}(q^{-\rho})$. Schur polynomial in variables $\\{q^{1/2},q^{3/2},q^{5/2},\cdots\\}$ is $\displaystyle s_{\nu}(q^{-\rho})=q^{\frac{||\nu^{t}||}{2}}\prod_{i,j\in\nu}\frac{1}{1-q^{h(i,j)}}=(-)^{|\nu|}s_{\nu^{t}}(q^{\rho})\,.$ (5.15) Now we consider $V_{-}$ and $V^{*}_{+}$’s insertions respectively. For the $V_{-}$’s insertions, we have $\displaystyle\langle 0|\prod_{i\geq 1}V_{-}(q^{\nu^{t}+\rho_{i}})\,.$ (5.16) A Young diagram $\nu$ in terms of Frobenius notation is $\\{r_{1},r_{2},\cdots,r_{d}|s_{1},s_{2},\cdots,s_{d}\\}$ where $r_{i}=\nu_{i}-i+\frac{1}{2},\,\,s_{i}=\nu^{t}_{i}-i+\frac{1}{2}\,.$ According to the projective relation the fermionic bra state can be represented as $\displaystyle\langle$ $\displaystyle\Omega|\cdots\psi_{\nu^{t}_{i}-i+\frac{1}{2}}\psi_{\nu^{t}_{i-1}-i+\frac{3}{2}}\cdots\psi_{\nu^{t}_{1}-\frac{1}{2}}$ $\displaystyle=$ $\displaystyle\langle vac|(-)^{\sum_{i=1}^{d}(s_{i}-\frac{1}{2})}\prod_{i}^{d}\psi_{s_{i}}\psi^{*}_{r_{i}}=\langle\nu|\,.$ Similarly, for $V_{-}$’s insertions, the corresponding fermionic ket state is $(-)^{\sum_{i}^{d}(r_{i}-\frac{1}{2})}\prod_{i}^{d}\psi_{-s_{i}}\psi^{*}_{-r_{i}}|vac\rangle=|\nu^{t}\rangle\,.$ (5.18) The states are compatible with the geometrical observation from infinity to the origin on one local patch. The $S$ transformation which exchanges canonical variables (position and momentum) “bends” the project line to its normal at point 1. Then near infinity, we see the profile of $\nu$, while near the origin, we find that it reflects to $\nu^{t}$. This observation defines the following rules: 1\. From infinity to 1, the representation has not been changed. 2\. From 1 to 0, the representation becomes its transpose. In summary we can consider the patch-shifting and its impacts on the vertex operator formalism. We propose a configuration $\displaystyle\langle\lambda,\nu,\mu\rangle$ $\displaystyle\equiv$ $\displaystyle(-)^{|\nu|}q^{\frac{||\nu||}{2}}\langle\lambda|\prod_{\text{profile}\,\,\nu}V_{-}(q^{\nu^{t}+\rho})V_{+}^{*}(q^{-\nu-\rho})|\mu\rangle$ $\displaystyle=$ $\displaystyle s_{\nu}(q^{\rho})\sum_{\eta}s_{\lambda/\eta}(q^{\nu^{t}+\rho})s_{\mu/\eta}(q^{\nu+\rho}).$ The factor $(-)^{|\nu|}q^{||\nu||/2}$ comes from zero modes of $V$ and $V^{*}$. Actually, if we keep the Boson-Fermion correspondence being exact, we should include the contribution of zero modes. The result of normal ordering now becomes: $\displaystyle\prod_{(i,j)\in\nu}\frac{1}{q^{-\nu_{i}-\rho_{i}}-q^{\nu^{t}_{j}+\rho_{j}}}$ $\displaystyle=$ $\displaystyle(-)^{|\nu|}q^{||\nu||/2-||\nu^{t}||}\prod_{(i,j)\in\nu}\frac{1}{1-q^{-h(i,j)}}$ $\displaystyle=(-)^{|\nu|}$ $\displaystyle q^{\kappa_{\nu}/2}s_{\nu}(q^{\rho})\,.$ Then up to a framing factor $(-)^{|\nu|}q^{\kappa_{\nu}/2}$, the Schur function $s_{\nu}(q^{\rho})$ occurs as desired. The states under the shifting from a $u$-patch to a $v$-patch are compatible with the corresponding curves of different charts on patches. For example, the insertion of the bra state $\lambda$ at infinity on $u$-patch is an insertion at point 1 in $v$-patch. Thus patch-shifting leads to bringing a $\lambda$ state from infinity of $u$ to 1 of $v$. Then a $\nu$ insertion at point 1 in the $u$-patch becomes a ket state $\nu^{t}$ inserted at the core region in $v$-patch. Similarly a ket state $\mu$ inserted in the core region determined by $e^{u}+e^{v}-1=0$ in the $u$-patch should be transformed to the asymptotic region in $v$-patch by $S$-transformation, and the $T$ transformation is required to cancel the divergence. For example $e^{-u-v}+e^{-v}-1=0$ as $u$ goes to $-\infty$, $v$ becomes $\infty$, this operation moves $\mu$ ket state to a $\mu^{t}$ bra state along with a factor $q^{\kappa_{\mu}/2}$ due to the $T$ transformation. To join the asymptotic region and the core region together into a T-transformed $v$-patch, we need $T$-transform the core region (with $\nu^{t}$ inserted on) and also the defect (representation $\lambda$). It results in a further $q^{\kappa_{\nu}/2}$ factor in the expression in $v$-patch. Notice that there is no further factor corresponding to a $\lambda$ insertion at point 1 since $q^{\kappa_{\lambda}/2}q^{\kappa_{\lambda^{t}}/2}=1\,.$ Now we have the following conjecture $\displaystyle\langle\lambda,\nu,\mu\rangle$ $\displaystyle=$ $\displaystyle q^{\frac{\kappa_{\mu}+\kappa_{\nu}}{2}}\langle\mu^{t},\lambda,\nu^{t}\rangle$ $\displaystyle=$ $\displaystyle q^{\frac{\kappa_{\lambda}+\kappa_{\mu}}{2}}\langle\nu,\mu^{t},\lambda^{t}\rangle\,.$ It is our major observation from the curve of $\mathbb{C}^{3}$. It is difficult to verify this conjecture directly. However, if we let one of the representations $\lambda$, $\mu$ and $\nu$ be an empty representation $\phi\equiv 0$, then the resulting identities are just Zhou’s identities [26]. For example, let $\nu=0$. We have $\displaystyle\langle\lambda,0,\mu\rangle$ $\displaystyle=$ $\displaystyle\sum_{\eta}s_{\lambda/\eta}(q^{\rho})s_{\mu/\eta}(q^{\rho})$ $\displaystyle=$ $\displaystyle q^{\kappa_{\mu}/2}\langle\mu^{t},\lambda,0\rangle=q^{\kappa_{\mu}/2}s_{\lambda}(q^{\rho})s_{\mu^{t}}(q^{\lambda^{t}+\rho})$ $\displaystyle=$ $\displaystyle q^{(\kappa_{\lambda}+\kappa_{\mu})/2}\langle 0,\mu^{t},\lambda^{t}\rangle$ $\displaystyle=$ $\displaystyle q^{(\kappa_{\lambda}+\kappa_{\mu})/2}s_{\mu^{t}}(q^{\rho})s_{\lambda^{t}}(q^{\mu^{t}+\rho})\,.$ It is nothing but Zhou’s identity. We can verify other degenerate cases of (5.2) in detail. Consequently we get Zhou’s identities in all cases. ### 5.3 The relation with the Topological Vetex It would be interesting to compare eq. (5.2) with the famous topological vertex proposed in [6] and further the topological vertex in terms of symmetric polynomials in [5] and [26]. The topological vertex in [5, 26] is defined as $C(\lambda,\,\mu,\,\nu)=q^{\kappa_{\lambda}/2}s_{\nu}(q^{\rho})\sum_{\eta}s_{\mu/\eta}(q^{\nu^{t}+\rho})s_{\lambda^{t}/\eta}(q^{\nu+\rho})$ (5.23) In our configuration $C(\lambda,\,\mu,\,\nu)=q^{\kappa_{\lambda}/2}\langle\mu,\,\nu,\,\lambda^{t}\rangle\,.$ (5.24) It means what we have obtained is a reformulation of the topological vertex. However, the approach here is quite different from that in [6] and [5]. An direct observation is that our definition as in eq. (5.2) has a very clear patch meaning rather than a unified topological vertex. The cyclic symmetry of the topological vertex now becomes the shifting of patches. ## 6 Conclusions We find an explicit correspondence between A- and B-model for the case of topological vertex. In our opinion, the mirror curve of $\mathbb{C}^{3}$ is not a global ly defined chart but a union of two coordinate charts within defects inserting at point 1. It is crucial for deriving B-model correlation function, which becomes A-model topological invariant. A new vertex operator approach to the topological vertex is proposed. On the way of doing this, we prove the conjecture proposed in [7]. The vertex operator approach can be treated as an application of projective representation introduced in [23]. Finally, we propose a conjecture on the topological vertex (or in B-model, a three-leg correlation function) identity (5.2), which becomes Zhou’s identities of Hopf links in degenerate cases. There are many further works in this direction. We just list three of them for instance. Firstly, the identity (5.2) is new and a mathematical proof is not known to the authors. Secondly, the vertex operator approach could be generalized to other curves associated to many toric Calabi-Yau manifolds. Due to the identity (5.2), it is quite free to glue topological vertices to formulate complicated toric Calabi-Yau’s. This calculation is working in progress and a future article will contain some applications. Thirdly, it is natural to ask for a refined version of this approach. However, this is quite difficult since there the refined curve 777Eynard and Kozcaz provided a mirror curve for refine topological vertex in [18], the curve has no simple expression as the topological vertex. is very complicated and related symplectic transformations are not well-known. Maybe a simpler case could be considered first. For example, when a background charge is introduced into the Kodaira-Spencer theory the resulting theory is hence the Feign-Fuchs bosonic theory. The underlining integrability is controlled by the Calogero-Sutherland model [10, 24]. In this case, two refined parameters($t$ and $q$) are related by $t=q^{\alpha}$ (twisted case) and the eigenfunctions are Jack symmetric functions in the limit $q\rightarrow 1$. A very similar analysis could be done for this case. We expect a Jack symmetric function expression for the twisted topological vertex. ## Acknowledgments We would like to thank Professor Guoce Xin, Professor Ming Yu and Professor Jian Zhou for valuable comments. The authors are grateful to Morningside Center of Chinese Academy of Sciences and Kavli Institute for Theoretical Physics China at the Chinese Academy of Sciences for providing excellent research environment. This work is also partially supported by Beijing Municipal Education Commission Foundation (KZ201210028032, KM201210028006), Beijing Outstanding Person Training Funding (2013A005016000003). ## Appendix A Some Notations on Symmetric Polynomials In this appendix we just provide a brief review of some symmetric functions. For detailed description please look up the book by Macdonald [21]. ###### Definition 1. An elementary symmetric polynomial is defined by $e_{r}(x_{1},x_{2},\cdots)=\sum_{i_{1}<i_{2}<\cdots<i_{r}}x_{i_{1}}x_{i_{2}}\cdots x_{i_{r}},$ (A.1) for $r\geq 1$ and $e_{0}=1$. The generating function for the $e_{r}$ is $E(t)=\sum_{r\geq 0}e_{r}t^{r}=\prod_{i\geq 1}(1+x_{i}t).$ ###### Definition 2. A complete (homogenous) symmetric polynomial is defined by $h_{r}(x_{1},x_{2},\cdots)=\sum_{i_{1}\leq i_{2}\leq\cdots\leq i_{r}}x_{i_{1}}x_{i_{2}}\cdots x_{i_{r}},$ (A.2) for $r\geq 1$ and $h_{0}=1$. The generating function for the $h_{r}$ is $H(t)=\sum_{r\geq 0}h_{r}t^{r}=\prod_{i\geq 1}\frac{1}{1-x_{i}t}.$ ###### Definition 3. A Schur polynomial $s_{\lambda}$ as a symmetric polynomial in variables $x_{1},x_{2},\cdots$ corresponding to a partition $\lambda$ is defined by $s_{\lambda}(x_{1},\cdots,x_{N}):=\sum_{T}\mathbb{x}^{T}$ (A.3) where $T$ is a semi-standard tableau of shape $\lambda$ and $\mathbb{x}^{T}=\prod_{i}x_{i}^{n_{i}}$ with $n_{i}$ the number of $i$ filling in $T$. ###### Definition 4 (Jacobi-Trudi). The Schur polynomial can be calculated from the elementary or complete polynomials by $s_{\nu}(x_{1},x_{2},\cdots,x_{n})=\det(h_{\nu_{i}-i+j})=\det(e_{\nu^{t}_{i}-i+j}).$ (A.4) Now suppose the variables ($x_{1},x_{2},\cdots$) appear in a formal power series $E(t)=\prod_{i}(1+x_{i}t)$. We simply denote the Schur function by $s_{\nu}(E(t)).$ For example $E(t)=\prod_{i=0}^{\infty}(1+q^{i}t)=\sum_{r=0}^{\infty}e_{r}t^{r}$ (A.5) where $e_{r}=\prod_{i=1}^{r}\frac{q^{i-1}}{1-q^{i}}.$ (A.6) Hence the corresponding Schur function is written as $s_{\lambda}(1,q,q^{2},\cdots)$. In the q-number notation $[x]=q^{x/2}-q^{-x/2}$ $s_{\nu}(q^{-\rho})=(-1)^{|\nu|}q^{-\kappa(\nu)/4}\prod_{x\in\nu}\frac{1}{[h(x)]}$ where $h(x)$ is the hook length of the square $x$ and $\kappa(\nu)=2(n(\nu^{t})-n(\nu))$ with $n(\nu)=\sum_{i}\nu_{i}(i-1)$. Now let us generalize the formal power series to a more complicated case $E_{\mu}(t)=\prod_{i=1}^{\infty}(1+q^{\mu_{i}-i+1/2}t)=\prod_{i=1}^{\ell}\frac{1+q^{\mu_{i}-i+1/2}t}{1+q^{-i+1/2}t}\prod_{i=1}^{\infty}(1+q^{-i+1/2}t).$ (A.7) Recall a very useful identification between multisets of number $\\{\mu_{i}-i,(d<i\leq\ell)\\}=\\{-1,\cdots,-\ell\\}-\\{-\mu^{t}_{i}+i-1,(1\leq i\leq d)\\}$ (A.8) where $d$ is the diagonal of $\nu$. According to Frobenius notation $\nu=(\alpha_{1},\cdots,\alpha_{d}|\beta_{1},\cdots,\beta_{d})$, it can be written as $\\{\mu_{i}-i,(d<i\leq\ell)\\}=\\{-1,\cdots,-\ell\\}-\\{-\beta_{i}-1,(1\leq i\leq d)\\}.$ (A.9) (A.7) becomes $E_{\mu}(t)=\prod_{i=1}^{d(\mu)}\frac{1+q^{\alpha_{i}+1/2}t}{1+q^{-\beta_{i}-1/2}t}\prod_{i=1}^{\infty}(1+q^{-i+1/2}t).$ (A.10) Therefore $s_{\nu}(E_{\mu}(t))=s_{\nu}(q^{\mu_{1}-1+1/2},q^{\mu_{2}-2+1/2},\cdots)\,,$ (A.11) or it can be put in a simple notation $s_{\nu}(q^{\mu+\rho})$ where $\rho=-\frac{1}{2},-\frac{3}{2},\cdots$. In the Frobenius notation $s_{\nu}(E_{\mu}(t))=s_{\nu}(q^{\alpha_{1}+\frac{1}{2}},\cdots,q^{\alpha_{d(\mu)}+\frac{1}{2}},q^{-\frac{1}{2}},\cdots,\widehat{q^{-\beta_{1}-\frac{1}{2}}},\cdots,\widehat{q^{-\beta_{d(\mu)}-\frac{1}{2}}},q^{-\beta_{d(\mu)}-\frac{3}{2}},\cdots).$ (A.12) ###### Definition 5. A skew Schur polynomial $s_{\lambda/\mu}$ as a symmetric function in variables $x_{1},x_{2},\cdots$ is defined by $s_{\lambda/\mu}(x_{1},x_{2},\cdots)=\sum_{T}\mathbb{x}^{T}$ (A.13) where $T$ is a semi-standard tableau of shape $\lambda-\mu$. The skew Schur function has a property $s_{\lambda/\mu}(x,y)=\sum_{\nu}s_{\lambda/\nu}(x)s_{\nu/\mu}(y).$ Therefore it can be generalized to $n$ sets of variables $x^{(1)},\cdots,x^{(n)}$ $s_{\lambda/\mu}(x^{(1)},\cdots,x^{(n)})=\sum_{(\nu)}\prod_{i=1}s_{\nu^{(i)}/\nu^{(i-1)}}(x^{(i)})$ (A.14) summed over all sequences $(\nu)=(\nu^{(0)},\cdots,\nu^{(n)})$ of partitions such that $\nu^{(0)}=\mu$, $\nu^{(n)}=\lambda$, and $\nu^{(0)}\subset\cdots\subset\nu^{(n)}$. ###### Definition 6 (Jacobi-Trudi). The skew Schur polynomial also can be calculated from the elementary or complete polynomials by $s_{\lambda/\mu}(x_{1},x_{2},\cdots,x_{n})=\det(h_{\lambda_{i}-\mu_{j}-i+j})=\det(e_{\lambda_{i}^{t}-\mu^{t}_{j}-i+j}).$ (A.15) ## Appendix B The identity In this appendix we provide a combinatoric proof of the identity $s_{\lambda/\mu}(q^{\nu+\rho})=(-1)^{|\lambda|-|\mu|}s_{\lambda^{t}/\mu^{t}}(q^{-\nu^{t}-\rho}).$ (B.1) According to the definition of $s_{\lambda/\mu}$ (A.15) we only need to prove $\displaystyle h_{r}(q^{\nu+\rho})=(-1)^{r}e_{r}(q^{-\nu^{t}-\rho}).$ ###### Proof. Now we use the Frobenius notation of a partition $\nu=(\alpha_{1},\cdots,\alpha_{d}|\beta_{1},\cdots,\beta_{d})$. Suppose $\nu_{1}=N$, $\nu_{1}^{t}=k$ $\displaystyle E(t,q^{-(\nu^{t}+\rho)})$ $\displaystyle=$ $\displaystyle(1+q^{-(\nu_{1}^{t}-1+1/2)}t)\cdots(1+q^{-(\nu^{t}_{j}-j+1/2)}t)\cdots(1+q^{-(\nu^{t}_{N}-N+1/2)}t)\times$ (B.2) $\displaystyle\times(1+q^{-(-(N+1)+1/2)}t)\cdots$ $\displaystyle=$ $\displaystyle\prod_{i=1}^{d}\frac{1+q^{-(\beta_{i}+1/2)}t}{1+q^{\alpha_{i}+1/2}t}E_{0}(t)$ where $E_{0}(t)=\prod(1+q^{-\rho}t)$. We have used an identity among multisets of number $\\{1,2,\cdots,N\\}=\\{j-\nu^{t}_{j},(N\geq j>d)\\}\cup\\{\alpha_{i}+1(i=1,\cdots,d)\\}.$ Similarly $\displaystyle H(t,q^{\nu+\rho})$ $\displaystyle=$ $\displaystyle\frac{1}{1-q^{\nu_{1}-1+1/2}t}\cdots\frac{1}{1-q^{\nu_{i}-i+1/2}t}\cdots\frac{1}{1-q^{\nu_{k}-k+1/2}t}\frac{1}{1-q^{-(k+1)+1/2}t}$ (B.3) $\displaystyle=$ $\displaystyle\prod_{i=1}^{d}\frac{1-q^{-(\beta_{i}+1/2)}t}{1-q^{\alpha_{i}+1/2}t}H_{0}(t)$ where $H_{0}(t)=\prod(1-q^{-\rho}t)^{-1}$ and $\\{1,2,\cdots,k\\}=\\{i-\nu_{i},(k\geq i>d)\\}\cup\\{\beta_{i}+1(i=1,\cdots,d)\\}.$ The first factor in (B.2) and (B.3) are almost the same except the $+$ and $-$ sign in front of $q$. In addition $\prod(1-q^{-\rho}t)$ and $\prod(1-q^{\rho}t)^{-1}$ have the same power expansion of $t$. The difference can be resolved by $\displaystyle E(-t,q^{-\nu^{t}-\rho})=H(t,q^{\nu+\rho}).$ Therefore we obtain the result we want $\displaystyle e_{r}(q^{-\nu^{t}-\rho})=(-1)^{r}h_{r}(q^{\nu+\rho}).$ ∎ ## References * [1] Rajesh Gopakumar and Cumrun Vafa. On the gauge theory/geometry correspondence. 1999\. * [2] Hirosi Ooguri and Cumrun Vafa. Knot invariants and topological strings. Nuclear Physics B, 577(3):419–438, 2000. * [3] Edward Witten. Quantum field theory and the jones polynomial. Communications in Mathematical Physics, 121(3):351–399, 1989. * [4] Hugh R Morton and Sascha G Lukac. The homfly polynomial of the decorated hopf link. Journal of Knot Theory and Its Ramifications, 12(03):395–416, 2003\. * [5] Andrei Okounkov, Nikolai Reshetikhin, and Cumrun Vafa. Quantum Calabi-Yau and classical crystals. Progr.Math., 244:597, 2006. * [6] Mina Aganagic, Albrecht Klemm, Marcos Marino, and Cumrun Vafa. The topological vertex. 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Jimbo and T. Miwa. Solitons and infinite dimensional lie algebra. Publ. RIMS, Kyoto Univ., 19:943–1001, 1983. * [15] Nadav Drukker, Davide Gaiotto, and Jaume Gomis. The virtue of defects in 4d gauge theories and 2d cfts. Journal of High Energy Physics, 2011(6):1–54, 2011. * [16] Ludvig Dmitrievich Faddeev and Rinat M Kashaev. Quantum dilogarithm. Modern Physics Letters A, 9(05):427–434, 1994. * [17] Robbert Dijkgraaf. Chiral deformations of conformal field theories. Nuclear physics B, 493(3):588–612, 1997. * [18] B. Eynard and C. Kozcaz. Mirror of the refined topological vertex from a matrix model. 2011\. * [19] Kentaro Hori and Cumrun Vafa. Mirror symmetry. arXiv preprint hep-th/0002222, 2000. * [20] Amer Iqbal, Can Kozcaz, and Khurram Shabbir. Refined topological vertex, cylindric partitions and the u(1) adjoint theory. Nucl. Phys., B838:422–457, 2010. * [21] I. G. Macdonald. Symmetric Functions and Hall Polynomials. Oxford Mathematical Monographs. Oxford University Press, 2 edition, 1999\. * [22] Marcos Marino. Chern-Simons theory and topological strings. Rev.Mod.Phys., 77:675–720, 2005. * [23] Andrei Okounkov. Infinite wedge and random partitions. Selecta Mathematica, 7(1):57–81, 2001. * [24] Bill Sutherland. Exact results for a quantum many-body problem in one dimension. Physical Review A, 4(5):2019, 1971. * [25] J. Zhou. Quantum Mirror Curves for $$\\{$$\backslash$mathbb C$\\}$^3$ and the Resolved Confiold. ArXiv e-prints, July 2012. * [26] Jian Zhou. A conjecture on hodge integrals. arXiv preprint math/0310282, 2003. * [27] Jian Zhou. Curve counting and instanton counting. arXiv preprint math/0311237, 2003. * [28] Jian Zhou. Explicit formula for witten-kontsevich tau-function. arXiv preprint arXiv:1306.5429, 2013.
arxiv-papers
2014-03-02T10:10:52
2024-09-04T02:49:59.168451
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Jian-Feng Wu and Jie Yang", "submitter": "Jian-Feng Wu", "url": "https://arxiv.org/abs/1403.0181" }
1403.0231
11institutetext: US Naval Research Laboratory, Washington, DC 20375 # On Flux Rope Stability and Atmospheric Stratification in Models of Coronal Mass Ejections Triggered by Flux Emergence E. Lee formerly of US Naval Research Laboratory V.S. Lukin M.G. Linton ###### Abstract Context. Flux emergence is widely recognized to play an important role in the initiation of coronal mass ejections. The Chen & Shibata (2000) model, which addresses the connection between emerging flux and flux rope eruptions, can be implemented numerically to study how emerging flux through the photosphere can impact the eruption of a pre-existing coronal flux rope. Aims. The model’s sensitivity to the initial conditions and reconnection micro-physics is investigated with a parameter study. In particular, we aim to understand the stability of the coronal flux rope in the context of X-point collapse, as well as the effects of boundary driving in both unstratified and stratified atmospheres. Methods. A modified version of the Chen & Shibata model is implemented in a code with high numerical accuracy with different combinations of initial parameters governing the magnetic equilibrium and gravitational stratification of the atmosphere. In the absence of driving, we assess the behavior of waves in the vicinity of the X-point. With boundary driving applied, we study the effects of reconnection micro-physics and atmospheric stratification on the eruption. Results. We find that the Chen & Shibata equilibrium can be unstable to an X-point collapse even in the absence of driving due to wave accumulation at the X-point. However, the equilibrium can be stabilized by reducing the compressibility of the plasma, which allows small-amplitude waves to pass through the X-point without accumulation. Simulations with the photospheric boundary driving evaluate the impact of reconnection micro-physics and atmospheric stratification on the resulting dynamics: we show the evolution of the system to be determined primarily by the structure of the global magnetic fields with little sensitivity to the micro-physics of magnetic reconnection; and in a stratified atmosphere, we identify a novel mechanism for producing quasi-periodic behavior at the reconnection site behind a rising flux rope as a possible explanation of similar phenomena observed in solar and stellar flares. ## 1 Introduction Coronal mass ejections (CMEs) are a common occurrence in the Sun’s atmosphere that are known to release giga-tons of plasma into interplanetary space. Some of the ejected plasma can reach the space environment of the Earth and have a strong and complex influence on space activity by inducing geospace disruptions that can severely impact spacecraft, power grids, and communication (Baker et al., 2013). While CMEs are quite commonly observed (Evans et al., 2013), especially during the peak of the solar cycle, they are still poorly understood. Some of the biggest CME mysteries pertain to their origin, propagation, and relation to flares. The initiation of CMEs has been widely studied and yet remains largely unexplained (see reviews by Forbes et al., 2006; Chen, 2011). However, many observational studies of associated features have led to clues about how they occur and what factors contribute to their destabilization (see review by Gopalswamy et al., 2006). Prior to an eruption, large-scale shear motions are often observed in photospheric images, especially about the magnetic neutral line (Krall et al., 1982) and in the form of sunspot rotations (Tian & Alexander, 2006). In addition, patches of magnetic flux are found to emerge, expand, move, fragment, coalesce, and cancel over a wide range of length and time scales (Sheeley, 1969; Zwaan, 1985; Centeno et al., 2007; Parnell et al., 2009). It is believed that shear motions, sunspot rotation, and the emergence of new flux are all related to the injection of magnetic helicity into coronal magnetic structures that could be directly involved in the eruption (Chae, 2001; Kusano et al., 2002; Démoulin et al., 2002; Pariat et al., 2006; Magara & Tsuneta, 2008). In addition to the growing body of observational studies that have improved our understanding of CMEs, many new insights have also emerged from theoretical and numerical efforts. CMEs have been modeled in two and three dimensions using both simple analytical methods and sophisticated magnetohydrodynamic simulations (see Jacobs & Poedts, 2011, and references therein). These models differ widely in physical and numerical details, each making its own choice of how to address the trade-off between complexity and computational feasibility. Early theoretical models explained CMEs as a loss of equilibrium, due to magnetic buoyant instabilities (e.g., van Tend & Kuperus, 1978; Low, 1981; Demoulin & Priest, 1988), as well as MHD flows (Low, 1984) and reconnection (Forbes & Isenberg, 1991). Forbes & Priest (1995) proposed a CME model based on the movement of magnetic footpoints (sources) below a flux rope and the subsequent development of a singular current sheet, through which a large magnetic energy release should take place as the flux rope moves continually outwards. Lin & Forbes (2000) refined their model and computed exact solutions for the energy release, flux rope height, current sheet length, and reconnection rate. The Lin & Forbes (hereafter, “LF”) model, while simplistic, provides an important step forward in CME modeling because it offers exact solutions to the time-dependent nonlinear problem of a flux rope eruption and includes more than a heuristic treatment of magnetic reconnection. Furthermore, it predicts many features (e.g., morphology, current sheet, post- flare loops, flows, energetics) confirmed by observations (Ciaravella et al., 2002; Ko et al., 2003; Lin et al., 2005). A similar two-dimensional flux rope model was proposed by Chen & Shibata (2000). Like LF, the Chen & Shibata (“CS”) model consists of a two-dimensional configuration in which a flux rope sits above the photosphere, surrounded by a line-tied coronal arcade. In both models, the magnetic equilibrium is destabilized by photospheric driving, causing a current sheet to form in the flux rope’s wake as it moves outwards. However, whereas the LF model calls for a somewhat manufactured mechanism for destabilization via large-scale convergence of the sources, the CS model improves upon the LF model by incorporating flux emergence as the driver. While it does not lend itself to a purely analytical treatment, the CS model is suitable for numerical simulation. The authors report four very different outcomes based on the position and direction of the driving, showing that the location of the emergence per se is not a critical factor for destabilizing the coronal flux rope but rather that the relative orientation of the emerging flux determines whether the flux rope moves outwards/upwards (CME-like) or inwards/downwards (failed eruption). Several subsequent studies have built upon the CS model. For example, Chen et al. (2004), Shiota et al. (2003), and Shiota et al. (2004) produced synthetic emission images from CS simulations to compare morphological features, reconnection in-flows, and coronal dimmings found in actual CME observations. Moreover, Shiota et al. (2003) and Shiota et al. (2005) were able to identify the formation, structure, and location of slow and fast shocks in the CMEs produced in these simulations. Gravitational density stratification in an isothermal atmosphere was considered by Chen et al. (2004); Shiota et al. (2004) and also in a later study by Dubey et al. (2006) in spherical coordinates with axisymmetry. In this study, we re-examine the CS model using a more sophisticated numerical tool, a more realistic atmosphere, and higher spatial resolution than previous studies. Simulations are performed using a high-order spectral element method with numerically accurate, self-consistent treatments of diffusive transport (i.e., resistivity, viscosity, and thermal conduction). In addition, we reformulate the initial conditions to have magnetic fields that are everywhere continuous and differentiable, and to include a solar-like temperature profile with a sharp transition region and density stratification. Through an exploration of physical parameters, we find that the CS magnetic equilibrium can be unstable even without a flux emergence driver. Linear theory has shown that sufficient perturbation of the field lines near an X-point by waves or motion can disrupt the balance between magnetic pressure and magnetic tension, causing the X-point to collapse and form a reconnecting current sheet (Priest & Forbes, 2000, chapter 2). Our simulations demonstrate that under a wide range of conditions the CS equilibrium is susceptible to such a collapse via nonlinear accumulation of fast magnetosonic waves at the X-point (McLaughlin et al., 2009). However, we also show that in a sufficiently incompressible plasma due, for example, to the presence of a background ”guide” magnetic field co-aligned with the axis of the flux rope, the X-point collapse does not take place and the CS magnetic equilibrium can be stabilized. For both stable and unstable configurations, we investigate the impact of the resistivity model enabling magnetic reconnection below the flux rope, as well as the plasma parameters in the low solar atmosphere, on the flux rope’s response to the flux emergence driver. We show that flux emergence can produce a rising flux rope both in a stratified and an unstratified atmosphere, though the resulting ejection speed, as well as the plasma dynamics around the X-point, can be strongly effected by the magnitude of the guide field and the atmospheric stratification. ## 2 Model The CS model has a two-dimensional domain with motion and magnetic field allowed perpendicular (as well as parallel) to the plane of the domain ($\mathbf{v},\mathbf{B}\in\mathbb{R}^{3}$). Therefore, we can write the magnetic field, normalized to some value $B_{0}$, in terms of a scalar potential $\psi$ representing the in-plane flux, and an out-of-plane scalar field: $\mathbf{B}(x,y;t)=\nabla(-\psi)\times\hat{\mathbf{e}}_{z}+b_{z}\hat{\mathbf{e}}_{z}$ (1) All quantities are normalized in terms of the first three constants found in Table 1: $L_{0}=5$ Mm, which is the unit of length; $B_{0}=10$ G, the unit of magnetic field strength; and $N_{0}=10^{9}$ cm-3, the unit of number density. Given the Alfén velocity $v_{A}\equiv B_{0}/\sqrt{\mu_{0}m_{p}N_{0}}$, where $m_{p}$ is the proton mass, we define the unit time as $\tau\equiv L_{0}/v_{A}$, unit temperature as $T_{0}\equiv B_{0}^{2}/(\mu_{0}k_{B}N_{0})$, and unit pressure as $P_{0}\equiv B_{0}^{2}/\mu_{0}$. The solar surface gravity $g_{S}=274$ m/s2 is similarly normalized as $g\equiv g_{S}(\tau/v_{A})=2.88\cdot 10^{-3}$. Due to symmetries intrinsic to the model, only half of the domain in the horizontal direction has to be resolved ($x>0$). Thus, simulations are performed in a computational domain $(x,y)\in[0,L_{x}]\times[0,L_{y}]$, with the solar convection zone assumed to be located below the domain ($y<0$). Table 1: Normalization constants Constant | Value (MKS) | Equivalent Value ---|---|--- $L_{0}$ | $5\cdot 10^{6}$ m | 5 Mm $B_{0}$ | $10^{-3}$ T | 10 G $N_{0}$ | $10^{15}$ m-3 | $10^{9}$ cm-3 $v_{A}$ | $6.90\cdot 10^{5}$ m/s | 690 km/s $\tau$ | 7.25 s | $2\cdot 10^{-3}$ hr $T_{0}$ | $5.76\cdot 10^{7}$ K | 4.97 keV $P_{0}$ | $7.96\cdot 10^{-1}$ Pa | 7.96 dyne/cm2 ### 2.1 Initial conditions #### 2.1.1 Magnetic configuration The initial magnetic configuration prescribed in the CS model consists of a coronal flux rope of radius $r_{0}$ surrounded by an arcade of “loops” that are line-tied in the photosphere. The flux rope contains a current channel that is mirrored by an image current far below the photosphere (outside the computational domain), and four line currents produce a potential quadrupolar field just below the photosphere. Since the bottom boundary of the numerical domain coincides with the photosphere, the only visible current initially is that within the flux rope. In the original CS study, the coronal flux rope is given by a flux function $\psi_{l}$ that results in a discontinuous current density at the edge of the flux rope. Therefore, we propose the following alternative: $\displaystyle\psi_{l}=$ $\displaystyle\,\dfrac{r^{2}}{2r_{0}}-\dfrac{(r^{2}-r_{0}^{2})^{2}}{4r_{0}^{3}}\ ,$ $r\leq r_{0}$ (2a) $\displaystyle\psi_{l}=$ $\displaystyle\,\dfrac{r_{0}}{2}-r_{0}\ln r_{0}+r_{0}\ln r\ ,$ $r>r_{0}$ (2b) where $r^{2}=x^{2}+y^{2}$, and the center of the flux rope lies at ($x=0$, $y=h$). Our formulation for $\psi_{l}$ lends itself to a continuous current density: $j_{l}=-\nabla^{2}\psi_{l}=\left\\{\begin{array}[]{l @{\hspace{6mm}} c}\dfrac{4r^{2}}{r_{0}^{3}}-\dfrac{4}{r_{0}}\ ,\hfil\hskip 17.07164pt&r\leq r_{0}\\\\[11.38109pt] 0\ ,\hfil\hskip 17.07164pt&r>r_{0}\end{array}\right.$ (3) The other flux components of the initial configuration, representing the image current and line currents, respectively, are kept as originally defined: $\displaystyle\vphantom{\int}\psi_{i}=-\frac{r_{0}}{2}\ln\left[x^{2}+(y+h)^{2}\right]$ (4) $\displaystyle\psi_{b}=c\,\ln\frac{\left[(x+0.3)^{2}+(y+0.3)^{2}\right]\left[(x-0.3)^{2}+(y+0.3)^{2}\right]}{\left[(x+1.5)^{2}+(y+0.3)^{2}\right]\left[(x-1.5)^{2}+(y+0.3)^{2}\right]}$ (5) with $r_{0}=0.5$, $h=2$ and $c=0.25628$. All three flux functions are summed to produce the initial magnetic equilibrium, shown in Fig. 1: $\psi=\psi_{l}+\psi_{i}+\psi_{b}\ .$ (6) Figure 1: Contours of $\psi$ in the initial conditions. In addition to the line currents, which produce the in-plane magnetic field, we also allow for a uniform background magnetic field out of the plane $b_{z0}\,\hat{\mathbf{e}}_{z}$. This “guide” field contributes magnetic pressure but no current. Figure 2: Contours of $\psi$ (black) and $b_{z}$ (magenta) at $t=0$ for $b_{z}$ as a function of $r$ (left) and as a function of $\psi$ (right). In the original CS study, a density spike is applied to support the flux rope against radial compression: an outward-acting pressure gradient force offsets the inward-acting Lorentz force due to the flux rope’s poloidal field. Equivalently, the flux rope can be supported against the radial Lorentz force by magnetic pressure, as in Shiota et al. (2005): in addition to the background guide field $b_{z0}$, we apply an additional axial field in the flux rope which is highest in the center and diminishes over a radius of $r_{0}$. We note that if the axial field $b_{z}$ is specified as a function of the flux rope radius alone the flux rope will not be force-free, as the contours of $\psi$ are not perfectly circular due to the small but finite contributions of $\psi_{b}$ and, to a lesser extent, of $\psi_{i}$ to the total flux in the coronal flux rope. It can be seen from the left panel of Fig. 2 that, given such a function $b_{z}(r)$, the contours of $\psi$ and $b_{z}$ would not be well-aligned. To avoid the misalignment and minimize unbalanced Lorentz forces in the initial condition, we instead choose to specify $b_{z}$ as a function of $\psi$, as follows: $\displaystyle b_{z}=\left\\{\begin{array}[]{l @{\hspace{6mm}} c}\sqrt{b_{z0}^{2}+\dfrac{10}{3}-8\left(\dfrac{\zeta}{r_{0}}\right)^{2}+6\left(\dfrac{\zeta}{r_{0}}\right)^{4}-\dfrac{4}{3}\left(\dfrac{\zeta}{r_{0}}\right)^{6}}\hfil\hskip 17.07164pt&\zeta\leq r_{0}\\\\[8.53581pt] b_{z0}\ ,\hfil\hskip 17.07164pt&\zeta>r_{0}\end{array}\right.$ (9) $\displaystyle\zeta^{2}(\psi)=2r_{0}^{2}-\sqrt{3r_{0}^{4}-4r_{0}^{3}(\psi-\psi_{0})}\ .$ (10) (The derivation of the above equations can be found in Appendix A.) Note that $\zeta=0$ when $\psi=\psi_{0}-r_{0}/4$, and $\zeta=r_{0}$ when $\psi=\psi_{0}+r_{0}/2$, where $\psi_{0}\equiv\left[\psi_{i}+\psi_{b}\right]|_{(x,y)=(0,h)}$. #### 2.1.2 Unstratified atmosphere In the case of an unstratified atmosphere, the number density field is initialized to a uniform value of $n=n_{0}=1(N_{0})$. The pressure field of an electron-proton plasma can be determined by the following equation of state: $p=2nT$ (11) We choose a uniform initial temperature, so the initial pressure $p=p_{0}$ is also uniform. The free parameter $p_{0}$ is chosen variably in the simulations to yield temperatures close to coronal values, as well as low plasma $\beta\equiv 2p/B^{2}$. An unstratified atmosphere has the advantage of isolating the flux rope dynamics from the thermodynamics. By controlling $p_{0}$, one essentially explores different regimes of the plasma $\beta$. #### 2.1.3 Stratified atmosphere We also attempt to simulate a solar-like atmosphere by modeling the average vertical temperature profile as a hyperbolic tangent function, as in Leake & Arber (2006); Leake & Linton (2013): $T(y)=\frac{T_{p}}{T_{0}}+\left(\frac{T_{c}-T_{p}}{2T_{0}}\right)\left[1+\tanh\left(\frac{y-y_{\text{\tiny TR}}/L_{0}}{\Delta y/L_{0}}\right)\right]$ (12) with photospheric temperature $T_{p}=5000$ K, coronal temperature $T_{c}=10^{6}$ K, transition region height $y_{\text{\tiny TR}}=2.5$ Mm, and transition region width $\Delta y=0.5$ Mm. Given this temperature profile, we seek compatible density and pressure profiles such that the plasma is in hydrostatic equilibrium: $\frac{dp}{dy}+ng=0$ (13) with the constant gravitational acceleration $g$ pointed in the $-\hat{\mathbf{e}}_{y}$ direction. We solve (13) using (11) and (12) (see the derivation in Appendix B). The resulting pressure profile is: $\begin{split}p(y)=&p_{0}\exp\left\\{\frac{g\Delta y/L_{0}}{2T_{c}/T_{0}}\left[-\frac{y-y_{\text{\tiny TR}}/L_{0}}{\Delta y/L_{0}}\right.\right.\\\ &\left.\left.+\frac{T_{c}-T_{p}}{2T_{p}}\ln\left(\frac{T_{p}}{T_{0}}\exp\left[-\frac{2(y-y_{\text{\tiny TR}}/L_{0})}{\Delta y/L_{0}}\right]+\frac{T_{c}}{T_{0}}\right)\right]\right\\}.\end{split}$ (14) Here the parameter $p_{0}$ corresponds to a constant of integration that shifts the entire pressure profile of the atmosphere. As in the unstratified case, this affects the values of $\beta$, which should be high ($\sim$ 10) in the photosphere and low ($\sim$ $10^{-2}$) in the corona. Therefore, we do not vary $p_{0}$ for the stratified simulations. Figure 3: Logarithm (base 10) of normalized number density $n$ (green), normalized pressure $p$ (blue), and temperature $T$ (red) as a function of height in the initial conditions for a stratified atmosphere. Profiles of the initial density, pressure, and temperature in a stratified atmosphere are plotted in Fig. 3. It is evident that all three quantities vary smoothly and by multiple orders of magnitude. Furthermore, this transition occurs well below the height of the flux rope core ($y=2$). ### 2.2 Numerical method We implement this initial configuration in the high-fidelity numerical simulation framework, HiFi, which makes use of high-order spectral elements and implicit time-stepping (Lukin, 2008; Lukin & Linton, 2011). As a strong condition, HiFi requires all variables to be represented by continuous functions in the initial and boundary conditions. Therefore, the magnetic field must be everywhere differentiable, implying $\psi\in\mathcal{C}^{2}$. In addition, the boundary driving of flux needs to be differentiable in both space and time, in order for the electric and magnetic fields to be smooth. These conditions are well satisfied by the initial conditions described above. In this work, HiFi is used to integrate in time the following equations of visco-resistive MHD: $\displaystyle\frac{\partial n}{\partial t}+\nabla\cdot\left(n\mathbf{v}\right)=0$ (15a) $\displaystyle\frac{\partial(-\psi)}{\partial t}=-\mathbf{v}\times\mathbf{B}+\eta j_{z}$ (15b) $\displaystyle\frac{\partial b_{z}}{\partial t}+\nabla\cdot\left(b_{z}\mathbf{v}-v_{z}\mathbf{B}\right)=\nabla\cdot\left(\eta\nabla b_{z}\right)$ (15c) $\displaystyle\frac{\partial n\mathbf{v}}{\partial t}+\nabla\cdot\left\\{n\mathbf{v}\mathbf{v}+p\mathbf{I}-\mu n\left[\nabla\mathbf{v}+\left(\nabla\mathbf{v}\right)^{T}\right]\right\\}=\mathbf{j}\times\mathbf{B}$ (15d) $\displaystyle\frac{3}{2}\frac{\partial p}{\partial t}+\nabla\cdot\left(\frac{5}{2}p\mathbf{v}-\kappa\nabla T\right)=\mathbf{v}\cdot\nabla p+\eta j^{2}+\mu n\left[\nabla\mathbf{v}+\left(\nabla\mathbf{v}\right)^{T}\right]:\nabla\mathbf{v}$ (15e) with an auxiliary equation (Ampère’s law): $\nabla\times\mathbf{B}=\mathbf{j}$ (15f) The normalized transport coefficients found in Eqs. (15f) – namely $\kappa$, $\mu$, $\eta$ – control the level of dissipation of the MHD fluid quantities through molecular diffusion: temperature, velocity, and current, respectively. Each of these three transport parameters is chosen to be compatible with the resolution and objective of each simulation. Further, for some of the simulations (see below), we allow the resistivity $\eta$ to be a function of local current density, $\eta=\eta_{bg}+\eta_{anom}(\mathbf{j})$, where $\displaystyle\eta_{anom}(\mathbf{j})=$ $\displaystyle\,0$ $|\mathbf{j}|<j_{c}$ $\displaystyle\eta_{anom}(\mathbf{j})=$ $\displaystyle\,\bar{\eta}_{anom}\frac{\left\\{1-\cos\left[\pi(|\mathbf{j}|/j_{c}-1)\right]\right\\}}{2}$ $j_{c}\leq|\mathbf{j}|\leq 2j_{c}$, $\displaystyle\eta_{anom}(\mathbf{j})=$ $\displaystyle\,\bar{\eta}_{anom}$ $|\mathbf{j}|>2j_{c}$ $\eta_{bg}$ is the uniform and time-independent background resistivity, and $\eta_{anom}$ is some “anomalously enhanced” effective resistivity, $\bar{\eta}_{anom}\gg\eta_{bg}$, occurring due to micro-physics not captured by the MHD model whenever the current density rises above the critical current density $j_{c}$. #### 2.2.1 Boundary conditions Table 2: Boundary conditions Boundary | Unstratified | Stratified ---|---|--- Left (reflection) | only vertical flow | only vertical flow Top/Right (coronal) | only vertical flow, $\nabla_{\hat{n}}\\{n,b_{z},j_{z},p\\}=0$ | only vertical flow, $\nabla_{\hat{n}}\\{n,b_{z},j_{z},p\\}=0$ Bottom (photosphere) | no flow, $\nabla_{\hat{n}}\\{n,b_{z},j_{z},T\\}=0$ | only out-of-plane flow, $\partial_{t}\left[\nabla_{\hat{n}}\\{\ln(n)\\}\right]=0$, $\nabla_{\hat{n}}\\{nv_{z},b_{z},j_{z},T\\}=0$ The bottom boundary of the simulation domain, representing the photosphere, is perhaps the most important boundary condition affecting the outcome of a simulation. Flux emergence is achieved by varying the flux function at this boundary in time, which is equivalent to applying an electric field. This electric field determines the evolution of the magnetic field, which can be advected in or out of the domain or resistively dissipated, as described by Ohm’s Law: $\frac{\partial\psi}{\partial t}=E_{z}=-\hat{\mathbf{e}}_{z}\cdot\mathbf{v}\times\mathbf{B}+\eta j_{z}$ (17) The resistive component, the second term on the right-hand side of (17), is determined by the geometry of the magnetic field at any given time. Therefore, by varying the flux at the boundary ($\partial\psi/\partial t$) in a prescribed way, we also induce cross-field plasma motions ($\mathbf{v}\times\mathbf{B}$). Chen & Shibata (2000) prescribe two cases of localized boundary driving, namely, over a region $|x-x_{0}|\leq 0.3$ centered at $x_{0}=0$ (case A) and at $x_{0}=3.9$ (case B). We apply the same method only for the case of $x_{0}=0$, but use a formulation that is smoother in time and in space: $\begin{array}[]{c c}\psi(x,0;t)=\psi(x,0;0)+\dfrac{\psi_{e}(x)}{2}\left[\dfrac{t}{t_{e}}-\dfrac{\sin\left(2\pi t/t_{e}\right)}{2\pi}\right]\ ,&t\leq t_{e}\\\\[14.22636pt] \psi_{e}(x)=\dfrac{c_{e}}{2}\left[1+\cos\dfrac{\pi(x-x_{0})}{0.3}\right]\ ,&|x|\leq 0.3\end{array}$ (18) where $t_{e}$ is the duration over which the electric field drive is applied at the boundary. For $t>t_{e}$, the photospheric boundary is treated as a perfect conductor. We do not allow any in-plane flow on the bottom photospheric boundary ($v_{x}=0$, $v_{y}=0$) and force the normal gradients of $b_{z},j_{z}$, and temperature to be zero: i.e., $\nabla_{\hat{n}}\equiv\hat{n}\cdot\nabla=0$. The unstratified atmosphere also has $\nabla_{\hat{n}}n=0$, while the stratified case imposes a fixed value of the density scale height $\partial_{t}\left\\{[\nabla_{\hat{n}}n]/n\right\\}=\partial_{t}\left\\{\nabla_{\hat{n}}[\ln(n)]\right\\}=0$. The left boundary is a symmetry boundary, with odd symmetry required for the horizontal and out-of-plane components of flow, $v_{x}$ and $v_{z}$, and even symmetry imposed on all other dependent variables. At the outer boundaries (top and right), the gradients of density, $b_{z}$, $j_{z}$, and pressure are zero, and flow is only allowed in the vertical direction. Table 2 provides a simple reference for the various boundary conditions applied in the simulations. #### 2.2.2 Dissipative Boundary Layers ##### Chromosphere. The flux emergence represented by (18) changes the flux function just at the boundary but has no direct effect on $\psi$ anywhere else, including just above it. While Ohm’s Law (17) does relate flux evolution to fluid transport, it does not guarantee that the flux function and other quantities will be well-behaved for all time, particularly in the $y$-direction. Therefore, to allow flux to slip more easily through the region just above the photospheric driving (effectively, the “chromosphere”), we apply a resistive boundary layer by enhancing $\eta$ locally according to the following function: $\eta=\eta_{bg}+\eta_{anom}+\eta_{ph}\exp\left(-\frac{y^{2}}{y_{0}^{2}}\right)$ (19) where $\eta_{ph}$ is the photospheric value of resistivity, and $y_{0}=0.2$ corresponds to the height of 1 Mm above the photosphere. Conceptually this boundary layer emulates the enhanced resistivity of the chromosphere due to collisional impedance by neutrals (Leake & Arber, 2006). ##### Outer corona. Separately, to mimic an open domain boundary with no wave reflections in the corona, a viscous boundary layer is prescribed close to the outer coronal (top and right) boundaries. Starting at a distance of $d=0.5$ inward from the boundary of the computational domain, $\mu$ is increased gradually towards the domain boundary (according to a cosine profile) from a background value of $\mu_{bg}$ up to the outer boundary value of $\mu_{out}=1$. In the same fashion, near the outer boundaries with $d=0.5$, resistivity is ramped up from $\eta_{bg}$ to a boundary value of $\eta_{out}=10^{-2}$. ## 3 Results In this section, we discuss simulations of the undriven equilibrium, as well as driven simulations of flux emergence in both the stratified and unstratified cases. While the CS initial conditions describe an approximate equilibrium, we find that this equilibrium can be unstable to small perturbations. We discuss the role of MHD waves in destabilizing the flux rope via X-point collapse and the role played by plasma compressibility in stabilizing the X-point and the flux rope. Finally, we discuss the driven simulations of stable and unstable equilibria with different resistivity models, as well as details of the resulting eruption process. Figure 4: (No driving.) Four snapshots of current density $j_{z}$ showing outward propagating MHD waves. Notice the trapping and interference of waves at the X-point; compounding of these waves here precipitates an X-point collapse, leading to the formation of a current sheet and initiation of magnetic reconnection. ### 3.1 Flux rope stability In Chen & Shibata (2000), the coefficient $c$ (see Eq. 5 above) was determined by trial and error to yield a magnetic equilibrium such that the center of the flux rope did not move “for long enough time.” (It can also be derived by requiring that the vertical component of the Lorentz force is zero at the center of the flux rope, $\hat{y}\cdot[\mathbf{j}\times\mathbf{B}]|_{(x,y)=(0,h)}=0$.) Our numerical experiments confirm that this value for $c$ is indeed appropriate for equilibrium, but we find that the equilibrium itself is tentative and unstable to perturbations. #### 3.1.1 X-Point collapse At the beginning of each simulation, the flux rope—which is approximately force-free—goes through a small adjustment to settle into an actual force-free equilibrium. In Sec. 2, we explained how formulating $b_{z}$ as a function of $\psi$ forces the contours of $b_{z}$ and $\psi$ to be aligned. Although this is an improvement on the original setup, the configuration is still not perfectly force-free because the contours of $j_{z}=-\nabla^{2}\psi=-\nabla^{2}\psi_{l}$ are still circular and therefore not aligned with the contours of $\psi$, producing a small but finite Lorentz force. The adjustment to correct the misalignment, however small it may be, is sufficient to generate waves that may destabilize the flux rope. Fig. 4 illustrates the oscillation of current density induced by the fast magnetosonic waves emanating from the flux rope as it adjusts to the initial conditions. The distribution of the waves is not uniform because the initial adjustment is one where the flux rope is squeezed in one direction (horizontally) while expanding in the other direction (vertically). Therefore, the waves propagating horizontally are out of phase with those propagating vertically. It is interesting to note that the propagation of both types of waves is initially radial but eventually becomes oblique at the flanks of the active region due to the inhomogeneity of the magnetic pressure in the corona. The fast waves themselves do not directly destabilize the flux rope. However, the entire equilibrium can be destabilized when the waves reach the X-point below the flux rope and cause it to collapse. The role of fast waves in X-point collapse for a zero-$\beta$ plasma has been studied by McLaughlin et al. (2009) and their behavior in the neighborhood of X-points has been investigated by similar earlier studies (McLaughlin & Hood, 2004, 2005, 2006). As described in these studies, we find that the fast waves approach the X-point but tend to get trapped there if their phase speed becomes too low at the X-point. The trapping occurs because the waves are refracted towards the null and then wrap around it if they cannot pass through it. As a result, the waves push current towards the null where it accumulates exponentially in the linear regime. The buildup of waves at the null, however, quickly leads to nonlinear behavior, forming shocks and jets, which deform the X-point into a cusp-like geometry, which flattens and forms a current sheet (McLaughlin et al., 2009). This fast-wave accumulation and resulting collapse of the X-point are evident in the sequence of figures in Fig. 4. The consequence of X-point collapse occurring as a result of fast wave accumulation at the null is that it forms a current sheet separating anti- parallel fields. The formation of the current sheet, in turn, kicks off magnetic reconnection that drives itself for as long as there is free magnetic energy available in the system. When the collapse forms a horizontal current sheet, the reconnection process draws in the flux rope from above, and it pulls itself down towards the photosphere to draw in flux from below, destroying the original configuration. Formation of a vertical current sheet similarly leads to a CME eruption. Other factors that may contribute to a collapse of the X-point in the absence of driving include boundary flows, likely related to the reflection of waves, and the asymmetric resistivity model, which intentionally biases $\eta$ in the $y$-direction in order to allow magnetic flux to slip through the photosphere (see previous section). However, we found these effects to be sub-dominant to the fast wave accumulation at the X-point in destabilizing the flux rope. Figure 5: Dependence of flux rope stability on the free parameters $p_{0}$ and $b_{z0}$ (left), as well as on the plasma $\beta$ and compressibility measure $\Gamma$ (right). All simulations are performed without driving. The different symbols signify that the flux rope was stable (black dots); was wobbly but on average did not rise or sink (black stars); moved upwards (blue triangles); or moved downwards (red triangles). #### 3.1.2 Sensitivity to Compressibility We find that sufficient magnetic pressure and/or gas pressure at the X-point can suppress the X-point collapse. In the absence of a guide field ($b_{z0}=0$), the magnetic pressure drops to zero at the X-point. Then, with low gas pressure, the fast wave speed is reduced drastically at the X-point causing wave refraction and accumulation. However, a parametric exploration of $p_{0}$ and $b_{z0}$ in an unstratified atmosphere revealed that increasing either of these parameters helps to stabilize the flux rope. The left panel of Fig. 5 is a graphical chart of the many simulations that were performed scanning the parameter space of $p_{0}$ and $b_{z0}$. Black dots represent simulations in which the flux rope was stable over many hundreds of Alfvén times (no X-point collapse); blue triangles represent those in which the flux rope experienced a slow rise (vertical collapse); red triangles represent those in which the flux rope descended (horizontal collapse); and black stars represent those in which the flux rope moved up and down but on average maintained the same height in the atmosphere (oscillatory X-point collapse). One could argue heuristically that increasing either $p$ or $b_{z}$ effectively decreases the compressibility of the plasma (or increases the stiffness of the medium), so any motions at the X-point need to do more work against the gas pressure or magnetic pressure to force a collapse of the magnetic topology. Therefore, we propose a generalized measure of two- dimensional plasma compressibility: $\Gamma=\frac{b_{\perp}^{2}}{2p+b_{z}^{2}}$ (20) and relate the free parameters of the simulations, $p_{0}$ and $b_{z0}$, to the magnitude of the in-plane field $b_{\perp}\approx 1$ ($B_{0}$), as well as to the initial background plasma $\beta$: $\beta=\frac{2p_{0}}{b_{\perp}^{2}+b_{z0}^{2}}$ (21) The right panel of Fig. 5 provides an alternative way to assess the effect of the initial parameters on the stability of the flux rope and the X-point in terms of dimensionless quantities. Note that $\beta$ and $\Gamma$ are related to $b_{z}$ such that some combinations of the two are impossible (denoted by gray shading in the figure): $b_{z}^{2}=\frac{(1-\Gamma\beta)b_{\perp}^{2}}{\Gamma(1+\beta)}\ ,$ (22) which implies $\Gamma\beta\leq 1$. Within the accessible parameter space we observe that above a certain level of compressibility (approximately 8, determined empirically), the X-point tends to collapse horizontally and causes the flux rope to descend. Within the range $4.5<\Gamma<8$, the X-point collapses vertically, causing the flux rope to move upwards out of equilibrium (though much more slowly than in a driven eruption). However, if the plasma is “stiffened” beyond a threshold, $\Gamma\lesssim 3$, the fast waves are able to pass through the X-point as their phase speed is no longer close to zero. Since the waves no longer accumulate at the X-point, they do not cause it to collapse and the equilibrium is preserved. While it is possible that different perturbations might produce different empirical thresholds of stability, it has not been the goal of the present study to determine particular values but rather to show that the X-point stability can be fundamentally related to the accumulation of fast waves at the X-point, which can be moderated by changing the background compressibility of the plasma. Similarly, while the magnitude of the dissipative transport coefficients within the visco-resistive MHD simulations can have some impact on the specific stability thresholds via damping of the fast waves emanating from the flux rope, such damping does not qualitatively change the conclusion of this parameter study. Figure 6: Out-of-plane current density $j_{z}$ (color, saturated high and low values), with magnetic flux contours (solid black), in a simulation of flux emergence into an unstratified atmosphere. The four panels show snapshots of the simulation at $100\tau=12$ min, $240\tau=29$ min, $480\tau=58$ min, and $1800\tau=217.5$ min. ### 3.2 CME eruptions driven by flux emergence The premise of the CS model is that a stable pre-existing flux rope can be driven to eruption by magnetic flux emergence. Flux emergence is achieved through photospheric boundary driving (see Eqs. 18): a small amount of flux is effectively emerged through the photospheric boundary by applying a time- dependent electric field. Emerging flux can cause the flux rope to move in either direction by forcing a destabilization of the X-point, similarly to the fast waves but more predictably. Within the underlying arcade, when the emergent flux is oppositely oriented to the local flux, it causes a vertical collapse of the X-point, leading to a rising flux rope. Oriented in the same sense as the local flux rope, it causes a horizontal collapse of the X-point, which forces the flux rope downwards. For emergence outside the arcade, likewise, it is possible to choose values for the coefficient $c_{e}$ in Eqs. 18 such that the simulation results in a vertical X-point collapse, and when the sign of $c_{e}$ is reversed, the X-point collapses horizontally. However, the sign of $c_{e}$ must be carefully chosen based on topological and geometric considerations, including the sign of the local overlying flux. In this study, we restrict ourselves to discussing emergence at $x_{0}=0$ alone, with $c_{e}=1.1$ as in the original CS model.111We note that the original CS reference Chen & Shibata (2000) quotes $c_{e}=11$ and $c=2.5628$, but these should have been quoted as a factor of 10 lower, as per personal communication with P.F. Chen. To evaluate the impact of reconnection micro-physics, stability of the initial condition and atmospheric stratification on the system’s response to flux emergence in the CS model, the simulation study described below has been performed by changing one model parameter at a time with otherwise identical numerical and dissipation parameters. In the reference simulation with an unstratified atmosphere, the background magnetic “guide” field is set to $b_{z0}=1$, equivalent to $10$ G and of the same order as $b_{\perp}$, such that the plasma compressibility measure $\Gamma$ is less than unity and the initial configuration is stable for any plasma pressure profile. To minimize the impact of the size of the computational domain or the dissipative boundary layers on the results of the simulations, the domain boundaries are placed at $L_{x}=4$ and $L_{y}=10$. The computational grid spanning the $(x,y)\in[0,L_{x}]\times[0,L_{y}]$ domain has $864$ and $1536$ spatial degrees of freedom in the $x$ and $y$ directions, respectively, distributed non- uniformly in such a way that the vertically elongated X-point reconnection current sheet is well-resolved in the $x$-direction, while both magnetic and thermodynamic structures associated with flux emergence through the chromosphere can be well resolved in the $y$-direction. The background resistivity throughout the domain is set to $\eta_{bg}=10^{-5}$, the photospheric resistivity is set to $\eta_{ph}=10^{-2}$, there is no anomalous resistivity $\bar{\eta}_{anom}=0$, the background kinematic viscosity coefficient is set to $\mu_{bg}=10^{-4}$, and the heat conduction is set to $\kappa=10^{-5}$. The duration of the flux emergence is taken to be $t_{e}=300$, equivalent to $36.25$ minutes. Figure 7: Unstratified atmosphere. Left: Height and speed of flux rope center. Smoothing is performed using a Hanning window of 12 points. The speed is computed by finite-differencing the smoothed (blue) curve. Right: Temperature at the X-point (center of current sheet) below the flux rope during the same period. #### 3.2.1 Flux emergence in an unstratified atmosphere To approximate the coronal conditions in the unstratified simulation, the initial pressure is set to $p_{0}=10^{-2}$, such that the initial $\beta$ is $\sim 1\%$ throughout the domain. To produce an eruption, the photospheric electric field drive is applied within the arcade below the X-point to generate $B_{x}$ opposite to the magnetic field of the arcade. As a result, the magnetic pressure above the photospheric boundary is reduced causing a local downflow towards the photosphere. This in turn reduces the plasma pressure below the X-point, which forces an in-flow at the sides of the X-point, bringing about its collapse and formation of a reconnection current sheet (e.g., see Fig. 6). As shown in Fig. 6, the X-point collapse in this simulation is observed to occur at $t\approx 100$, forming a current sheet that reaches its maximum length and strength near $t=200$. Current density then also increases along the separatrices and the field lines connected to the current sheet. When the new flux stops emerging ($t>t_{e}$), the current sheet persists at approximately half to a third of its peak magnitude, slowly diminishing over time for the duration of the simulation. As reconnection ensues, the flux rope is nudged out of equilibrium (in the $+\hat{\mathbf{e}}_{y}$ direction) by the reconnection outflow and continues to move outwards as reconnection proceeds. The left panel of Fig. 7 tracks the height of the flux rope center during the eruption by measuring the position of the magnetic O-point (black dots). The height measurements are smoothed (blue curve) using a Hanning window convolution over 12-point windows, and the speed (red curve) is computed by finite-differencing the smoothed height. The maximum speed of the flux rope is observed to be only about $0.7$ km/s, quickly slowing down further as the reconnection loses steam. In the right panel of Fig. 7, the temperature at the X-point, or the current sheet center, is plotted in mega-Kelvin showing rapid heating early in the eruption due to Joule heating at the current sheet. We note that this reference simulation results in a very slowly rising flux rope which is inconsistent with the original Chen & Shibata (2000) simulation where the flux rope rise speed of approximately $70$ km/s was observed. To study the sensitivity of this result to the magnitude of the background magnetic guide field and the micro-physics of reconnection at the X-point, represented here by the anomalous resistivity model similar to that of Chen & Shibata (2000), a series of further simulations has been performed. Figure 8 shows traces of the height of the flux rope center for a set of five simulations with three different values of the guide magnetic field $b_{z0}=\\{1.0,0.5,0.25\\}$ and two resistivity models, one with $\bar{\eta}_{anom}=0$ and another with $\bar{\eta}_{anom}=10^{-2}$ and $j_{c}=10$, both using the constant background resistivity value $\eta_{bg}=10^{-5}$. Figure 8: Unstratified atmosphere. Height of flux rope center for a set of five simulations with varying magnitude of initial background magnetic guide field and resistivity models. Three values of the guide magnetic field $b_{z0}=\\{1.0,0.5,0.25\\}$ and two resistivity models, one with $\bar{\eta}_{anom}=0$ labeled as “eta const”, and one with $\bar{\eta}_{anom}=10^{-2}$ and $j_{c}=10$ labeled as “eta anom”, both using the constant background resistivity value $\eta_{bg}=10^{-5}$, are considered. The comparison of the five traces clearly demonstrates that the outcome of the simulations is much more sensitive to the magnitude of the background guide field, i.e. the global structure and stability of the magnetic configuration, than to the resistivity model. The two traces with $b_{z0}=1.0$, the initially stable magnetic configuration, are virtually indistinguishable from each other despite very different resistivity models. The two traces with $b_{z0}=0.5$ initialized from a marginally stable configuration (see Fig. 5) do show small differences during the acceleration phase. Here the simulation with anomalous resistivity allows for slightly faster rise, but both rise much faster than the $b_{z0}=1.0$ cases. And the initially unstable $b_{z0}=0.25$ case demonstrates yet faster rise of the flux rope that is comparable to the rise speed observed in the Chen & Shibata (2000) simulation. (Only the anomalous resistivity $b_{z0}=0.25$ simulation trace is shown in Fig. 8 because the corresponding uniform resistivity simulation produces a very intense X-point current sheet that breaks up due to secondary instabilities (Loureiro et al., 2007), leading to formation of further spatial sub-structure which we have chosen not to attempt to resolve. Detailed investigation of such multi-scale reconnection cases is left for future work.) We note that the choice of critical current density $j_{c}=10$ for onset of anomalous resistivity is such that all five simulations achieve $|{\bf j}|>j_{c}$ at the X-point during the acceleration phase of the flux rope, yet that does not result in significant acceleration of the flux rope for the $b_{z0}=1.0$ and $b_{z0}=0.5$ cases. It is also of interest that the rapid rise of the flux rope in the $b_{z0}=0.25$ case is followed by stagnation at the height of approximately $19$Mm. Such stagnation is indicative of the system finding a new stable magnetic equilibrium where the upward force on the flux rope is balanced by the magnetic tension distributed throughout the overlying magnetic arcade. #### 3.2.2 Flux emergence in a stratified atmosphere Introduction of atmospheric stratification, as described in Sec. 2.1.3, leads to a more realistic equilibrium plasma configuration that is much denser at the photosphere than in the unstratified corona-like case. The impact of the flux emergence at the bottom boundary, with and without the atmospheric stratification, is reflected in the traces of height and speed of the respective flux rope eruptions. For the stratified atmosphere, the height and speed of the flux rope as functions of time are shown in the left panel of Fig. 9 and can be compared to the equivalent traces for the reference simulation in the left panel of Fig. 7. (Note the different ranges of the time axes of the two panels.) The two time histories are qualitatively similar, both showing rapid acceleration of the flux-rope during flux emergence, with a reduction of the ejection speed by approximately a factor of two once the driving is turned off. However, both the peak and the post-driving ejection speed of the CME in the stratified atmosphere are less than half of that obtained in the unstratified case. Figure 9: Stratified atmosphere. Left: Height and speed of flux rope center. Smoothing is performed using a Hanning window of 12 points. The speed is computed by finite-differencing the smoothed (blue) curve. Right: Temperature at the X-point (center of current sheet) below the flux rope during the same period. Another significant difference between the two cases of flux emergence is observed by comparing the time traces of the X-point plasma temperature, shown in the right panels of Fig. 7 and Fig. 9. While in the unstratified atmosphere there is a notable temperature increase at the X-point at the time of eruption, in the stratified simulation the temperature decreases instead. Furthermore, as the flux rope begins to rise between $35$ and $110$ minutes into the simulation ($300\lesssim t\lesssim 900$) the stratified simulation shows an oscillatory X-point temperature as long as the flux rope is within $\approx\>1$ Mm of its original position. The root cause of the overall X-point cooling can easily be explained as upflows of cold chromospheric plasma being advected into the coronal reconnection region. Nevertheless, the observed self-induced quasi-periodic oscillatory behavior of the X-point temperature is somewhat unexpected. Figure 10: Evolution in time of the reconnection site behind the CME flux rope in a stratified atmosphere. Each panel shows a snapshot of the temperature structure on the left, the density structure on the right, select contours of the magnetic flux $\psi$ (the same contour values, denoting the same magnetic field lines, have been chosen for each panel), and arrows denoting the in- plane plasma flow. The snapshots are made $348\tau=42$ min, $528\tau=64$ min, $708\tau=86$ min, and $978\tau=118$ min into the simulation. Note that for illustration purposes both plasma temperature and number density are plotted using logarithmic color scales with saturated high and low values. Arrows showing the plasma flow have been scaled by a factor of 25 with respect to the linear dimensions of the domain so that an arrow of unit length corresponds to flow of $1.7\times 10^{4}$ km/s. Fig. 10 shows the evolution in time of plasma temperature, density, and flows around the X-point during the period of quasi-periodic temperature oscillations. Continuous upflows of dense cool plasma convected along the magnetic field lines and into the reconnection region around the X-point are apparent throughout the evolution. The lower-right panel of this figure makes clear that this continuous chromospheric upflow results in quasi-periodic striations of cool dense material alternating with hotter, lower-density plasma on the recently reconnected field lines rising towards (and with) the flux rope located above. These striations are the signatures of the same oscillatory behavior observed on the X-point temperature trace in Fig. 9. While the origins and parametric robustness of the observed quasi-periodic phenomenon require further in-depth study that is outside of the scope of this article, a heuristic explanation of the basic physical mechanism is straightforward. It results from the competition between the upward directed tension force in newly reconnected magnetic field lines and the downward directed gravity acting on the dense, cold plasma deposited onto these same field-lines by the chromospheric upflows. As in the formation of water droplets, whenever sufficient amount of plasma accumulates in a small enough volume in the V-shaped dip of a set of recently reconnected field lines, the gravitational pull on that plasma overcomes the field’s tension force and a droplet of plasma forms and falls vertically through the reconnection site itself. As a result, those flux-rope destined field lines that produce the droplets end up with lower density hotter plasma, while the field lines that pass through in between the droplets contain colder and heavier plasma. The temperature at the X-point, where the reconnection is regularly disrupted by the droplets, is similarly modulated when the plasma that has been heated by the reconnection process is periodically replaced by the cold plasma of the droplets. Below the reconnection site, the pattern of chromospheric upflows along the magnetic separatrices and vertical downflows through the X-point creates a circulation of plasma between reconnection’s outflow and inflow. How, and whether or not, this circulation pattern contributes to the formation of the quasi-periodic temperature and density structure described above is left as a topic for future study. ## 4 Discussion & Conclusions Coronal mass ejections are eruptive solar events of enormous proportions that shed plasma and magnetic flux into interplanetary space. The Chen & Shibata model is a good starting point for understanding how such an eruption can originate from the destabilization of a global magnetic configuration by local flux emergence. It helps us to see a connection between flux emergence, a phenomenon at the solar surface, and flux rope ejection, a phenomenon in the corona. Many observational studies have shown spatio-temporal correlations between flux emergence and eruptive events, but few theoretical models to date have identified a precise single mechanism or sequence of processes whereby producing magnetic flux at the photosphere dynamically triggers an eruption. The CS model may assume an oversimplified solar atmosphere and a somewhat manufactured magnetic topology, but it does proffer a complete story. To determine the effects of a more realistic solar atmosphere, we have undertaken an effort to repeat the study using a different numerical suite and allowing for a stratified atmosphere with the density variation of over four orders of magnitude, as well as a sharp temperature transition between the chromosphere and the corona. We have found that even in the absence of stratification the initial equilibrium can be unstable to small perturbations. The initial adjustment of the magnetic equilibrium to slight force imbalances can generate fast waves that may not be able to propagate through the X-point below the flux rope. In these cases, the fast waves accumulate in such a way as to collapse the X-point and initiate reconnection. Thus, the equilibrium can be destabilized before any photospheric driving is applied. However, we also found that the stability of the CS equilibrium can be controlled by varying the compressibility of the plasma, which in a two-dimensional system is determined by the combination of thermal pressure and the magnitude of the out-of-plane component of the magnetic field. To quantify this effect, we defined a generalized measure of compressibility $\Gamma$ and have empirically determined the equilibrium’s stability boundaries in terms of $\Gamma$. When emulating flux emergence by applying an electric field at the photospheric boundary, in the unstratified atmosphere, the results of our simulations are qualitatively similar to those of the original study. However, there are also important differences and new findings. As opposed to the original study, when initialized in a stable configuration, our simulations show little evidence of significant flux rope acceleration or Joule heating associated with the reconnection current sheet. Notably, this result appears to be insensitive to the micro-physics of the reconnection region. By varying the magnitude of the background out-of-plane magnetic field component and thus changing the stability of the global magnetic configuration, we also show that flux rope rise speeds comparable to the original result are possible but require an unstable magnetic configuration as the initial condition. We further show that the micro-physics of reconnection is more likely to slow down than to accelerate the flux rope by comparing simulations with and without anomalous resistivity. It is well known that current-dependent anomalous resistivity allows for “fast” magnetic reconnection with only weak dependence on the magnitude of resistivity itself (Malyshkin et al., 2005). Yet, for both initially stable and quasi-stable magnetic configurations, allowing for anomalous resistivity did not result in a substantial increase of the flux rope rise speed. That is, merely allowing for faster reconnection did not lead to faster reconnection and faster flux rope ejection. On the other hand, in magnetic configurations where fast flux-rope ejection is possible, the simulations with low guide field indicate that the inability of the magnetic reconnection process to occur sufficiently fast could limit the rise speed of the flux rope. In the flux emergence simulations with stable magnetic configuration and realistic atmospheric stratification, the weakness of the X-point heating and the slowness of the ejected flux rope are reproduced, and amplified. In these simulations, changes in the magnetic field structure due to flux emergence generate persistent chromospheric upflows of cold, dense material that is convected into and dramatically cools the reconnection current sheet. In addition to the steady state upflows and cooling, the stratified simulations also produce another type of behavior: self-induced quasi-periodic oscillations in the X-point temperature, density, and other fluid quantities. The quasi-periodic oscillations observed in the stratified simulation are of transient nature, appearing after the flux emergence drive has been completed and lasting for just over an hour while the flux rope is within $\approx 1$ Mm of its initial location. The robustness of this phenomenon will be a subject of future research, but our initial investigation indicates that a critical balance between the upward tension force of the reconnected magnetic field and the downward gravitational pull on the dense chromospheric plasma convected into the reconnection region has to be achieved in order for the quasi- periodic oscillations to appear in a simulation. While that may seem to be a prohibitive constraint, we speculate that in the three-dimensional parameter space spanned by (1) the height of the X-point, (2) the strength of the magnetic fields and (3) the horizontal location of the emerging flux relative to the separatrices of the pre-existing magnetic configuration, all quantities that can vary greatly throughout the lower solar atmosphere, there is likely embedded a two-dimensional parameter space where such balance can, indeed, be achieved. We note that there is also extensive observational evidence for what has been called quasi-periodic pulsations (QPP) in solar and stellar flares (e.g., see Nakariakov & Melnikov, 2009; Mitra-Kraev et al., 2005, and references therein) with the QPP periodicity time scale varying from fractions of a second to several minutes, comparable to the period of the oscillations produced in our simulation. In fact, Nakariakov & Melnikov (2009) have previously resorted to the water drop formation analogy in describing what they refer to as a class of “load/unload” models of long multi-minute period QPPs. The plasma droplet mechanism described in Sec. 3.2.2 above is a much more direct, and novel, analogy to the same physical process with the potential to provide a new alternative explanation for the long-duration QPPs. Finally, we point out that the limitations of the two-dimensional MHD model used here for modeling a region of potential flaring activity embedded into a stratified solar atmosphere are many. It is well known that laminar resistive reconnection cannot account for the observed rates of magnetic energy release, particle acceleration, or radiation from solar flares, while three-dimensional effects can substantially alter both the flux-rope stability properties and the micro-physics of reconnection. Nevertheless, we believe that the careful and systematic study described in this article is a prerequisite for performing more complete, and also substantially more challenging and complicated, studies of CME initiation by flux emergence in the future. ###### Acknowledgements. E.L. thanks Neil Sheeley for his valuable insights into solving the hyperbolic function integrals. This work was supported by the NASA SR&T and LWS programs, as well as ONR 6.1 program. Simulations were performed under grants of computer time from the US DOD HPC program and the National Energy Research Scientific Computing Center, which is supported by the US DOE Office of Science. ## Appendix A We derive the uniform pressure magnetic flux rope equilibrium with axial field from a familiar form of the Grad–Shafranov equation: $\frac{d}{d\psi}\left(\frac{b_{z}^{2}}{2}\right)=-\nabla^{2}\psi=j_{z}$ (23) In particular, assuming $\psi(r)=\psi_{l}(r)$ given by Eq. (2a): $\displaystyle\frac{b_{z}^{2}}{2}$ $\displaystyle=\int j_{z}\;d\psi=\int j_{z}\frac{d\psi}{dr}dr$ $\displaystyle=\int\left[\frac{4r^{2}}{r_{0}^{3}}-\frac{4}{r_{0}}\right]\left[\frac{r}{r_{0}}-\frac{r(r^{2}-r_{0}^{2})}{r_{0}^{3}}\right]dr$ (24) $\displaystyle=-\frac{2}{3}\left(\frac{r}{r_{0}}\right)^{6}+3\left(\frac{r}{r_{0}}\right)^{4}-4\left(\frac{r}{r_{0}}\right)^{2}+\text{constant,}\,\text{for}\ r\leq r_{0}.$ Requiring that $b_{z}=b_{z0}$ for $r\geq r_{0}$, we can determine the constant of integration such that $b_{z}$ is continuous: $b_{z}(r)=\left\\{\begin{array}[]{l @{\hspace{6mm}} c}\sqrt{b_{z0}^{2}+\dfrac{10}{3}-8\left(\dfrac{r}{r_{0}}\right)^{2}+6\left(\dfrac{r}{r_{0}}\right)^{4}-\dfrac{4}{3}\left(\dfrac{r}{r_{0}}\right)^{6}}\hfil\hskip 17.07164pt&r\leq r_{0}\\\\[8.53581pt] b_{z0}\ .\hfil\hskip 17.07164pt&r>r_{0}\end{array}\right.$ (25) Suppose, however, we wish to find $b_{z}$ as a function of $\psi$, rather than of $r$. We then solve for the inverse function $\zeta\equiv\psi_{l}^{-1}(r)$ by replacing $r$ with $\zeta$ in Eq. (2a) and rearranging terms: $\zeta^{4}-4r_{0}^{2}\zeta^{2}+r_{0}^{4}+4r_{0}^{3}\psi_{l}=0\ .$ (26) Solving this quadratic equation for $\zeta^{2}$, we find: $\zeta^{2}=2r_{0}^{2}\pm\sqrt{3r_{0}^{4}-4r_{0}^{3}\psi_{l}}\ .$ (27) We recover the form of Eq. (10) by rejecting the positive root (to permit small values of $\zeta$), replacing $\psi_{l}$ by the full functional form of $\psi=\psi_{l}+\psi_{i}+\psi_{b}$ to approximate a force-free initial condition with well-aligned contours of constant $\psi$ and $b_{z}$, and allowing for gauge freedom. ## Appendix B Here we present a derivation of the pressure profile used in simulations of a stratified solar atmosphere, given a particular temperature profile (12). To be physically relevant, we use here dimensional quantities, rather the normalized code variables. We begin with the first-order differential equation governing hydrostatic equilibrium: $\frac{dp}{dy}+m_{p}ng_{S}=0\ ,$ (28) which we divide by $p=2nk_{B}T$: $\frac{d\ln p}{dy}+\frac{m_{p}g_{S}}{2k_{B}T}=0.$ (29) Then $\ln\frac{p}{p_{0}}=-\frac{m_{p}g_{S}}{2k_{B}}\int\frac{dy}{T}.$ (30) We use the profile for temperature $T$ given by (12), but with the following variable substitution: $u\equiv\frac{y-y_{\text{\tiny TR}}}{\Delta y}\ ,$ (31) leading to $\begin{split}T(u)&=T_{p}+\frac{T_{c}-T_{p}}{2}\left(1+\tanh u\right)\\\ &=T_{p}+\frac{T_{c}-T_{p}}{2}\left(1+\frac{e^{u}-e^{-u}}{e^{u}+e^{-u}}\right)\\\ &=\frac{T_{p}\,e^{-u}+T_{c}\,e^{u}}{e^{u}+e^{-u}}.\end{split}$ (32) With algebraic manipulations, we can rewrite (32) as: $\frac{1}{T}=\frac{1}{T_{c}}+\frac{e^{-2u}(1-T_{p}/T_{c})}{T_{p}\,e^{-2u}+T_{c}}.$ (33) Then the integral in (30) can be evaluated: $\begin{split}\int\frac{dy}{T}&=\Delta y\int\frac{du}{T}=\Delta y\left[\int\frac{du}{T_{c}}+\left(1-\frac{T_{p}}{T_{c}}\right)\int\frac{e^{-2u}\,du}{T_{p}\,e^{-2u}+T_{c}}\right]\\\ &=\Delta y\left[\frac{u}{T_{c}}-\frac{1}{2}\left(\frac{1}{T_{p}}-\frac{1}{T_{c}}\right)\ln\left(T_{p}e^{-2u}+T_{c}\right)\right].\end{split}$ (34) Finally, substituting (34) into (30) yields an expression for $p$, in terms of $u$: $p(u)=p_{0}\exp\left\\{\frac{m_{p}g_{S}\Delta y}{2k_{B}T_{c}}\left[\frac{T_{c}-T_{p}}{2T_{p}}\,\ln\left(T_{p}e^{-2u}+T_{c}\right)-u\right]\right\\}.$ (35) ## References * Baker et al. 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arxiv-papers
2014-03-02T16:26:28
2024-09-04T02:49:59.181232
{ "license": "Public Domain", "authors": "E. Lee, V.S. Lukin, and M.G. Linton", "submitter": "Vyacheslav Lukin", "url": "https://arxiv.org/abs/1403.0231" }
1403.0299
# On the functional Blaschke-Santaló inequality Youjiang Lin School of Mathematical Sciences, Peking University, Beijing, 100871, China; Department of Mathematics, Department of Mathematics, Shanghai University, Shanghai, 200444, China [email protected] and Gangsong Leng Department of Mathematics, Shanghai University, Shanghai, 200444, China [email protected] ###### Abstract. In this paper, using functional Steiner symmetrizations, we show that Meyer and Pajor’s proof of the Blaschke-Santaló inequality can be extended to the functional setting. ###### Key words and phrases: Convex body; Polar body; Parallel sections homothety bodies; Mahler conjecture; Cylinder 2010 Mathematics Subject Classification. 52A10, 52A40. The authors would like to acknowledge the support from China Postdoctoral Science Foundation Grant 2013M540806, National Natural Science Foundation of China under grant 11271244 and National Natural Science Foundation of China under grant 11271282 and the 973 Program 2013CB834201. ## 1\. Introduction For a convex body $K\subset\mathbb{R}^{n}$ and a point $z\in\mathbb{R}^{n}$, the polar body $K^{z}$ of $K$ with respect to $z$ is the convex set defined by $K^{z}=\\{y\in\mathbb{R}^{n}:\langle y-z,x-z\rangle\leq 1\;{\rm for}\;{\rm every}\;x\in K\\}$. The Santaló point $s(K)$ of $K$ is a point for which $V_{n}(K^{s(K)})=\min_{z\in int(K)}V_{n}(K^{z})$, where $V_{n}(K)$ denotes the volume of set $K$. The Blaschke-Santaló inequality [4, 18, 19] states that $V_{n}(K)V_{n}(K^{s(K)})\leq V_{n}(B_{2}^{n})^{2}$, where $B_{2}^{n}$ is the Euclidean ball. For a log-concave function $f:\mathbb{R}^{n}\rightarrow[0,\infty)$ and a point $z\in\mathbb{R}^{n}$, its polar with respect to $z$ is defined by $f^{z}(y)=\inf_{x\in\mathbb{R}^{n}}\frac{e^{-\langle x-z,y-z\rangle}}{f(x)}$. The Santaló point $s(f)$ of $f$ is the point $z_{0}$ satisfying $\int f^{z_{0}}=\inf_{z\in\mathbb{R}^{n}}\int f^{z}$. The functional Blaschke-Santaló inequality of log-concave functions is the analogue of Blaschke-Santaló inequality of convex bodies. ###### Theorem 1.1. (Artstein, Klartag, Milman). Let $f:\mathbb{R}^{n}\rightarrow[0,+\infty)$ be a log-concave function such that $0<\int f<\infty$. Then, $\int_{\mathbb{R}^{n}}f\int_{\mathbb{R}^{n}}f^{s(f)}\leq(2\pi)^{n}$ with equality holds exactly for Gaussians. When $f$ is even, the functional Blaschke-Santaló inequality follows from an earlier inequality of Ball [2]; and in [9], Fradelizi and Meyer proved something more general (see also [11]). Lutwak and Zhang [13] and Lutwak et al. [14] gave other very different forms of the Blaschke-Santaló inequality. In this paper, we give a more general result than Theorem 1.1, which becomes into a special case of $\lambda=1/2$ in Theorem 1.2. ###### Theorem 1.2. Let $f:\mathbb{R}^{n}\rightarrow[0,+\infty)$ be a log-concave function such that $0<\int f<\infty$. Let $H$ be an affine hyperplane and let $H_{+}$ and $H_{-}$ denote two closed half-spaces bounded by $H$. If $\lambda\in(0,1)$ satisfies $\lambda\int_{\mathbb{R}^{n}}f=\int_{H_{+}}f$. Then there exists $z\in H$ such that $\displaystyle\int_{\mathbb{R}^{n}}f\int_{\mathbb{R}^{n}}f^{z}\leq\frac{1}{4\lambda(1-\lambda)}(2\pi)^{n}.$ (1.1) In [12], Lehec proved a very general functional version for non-negative Borel functions, Theorem 1.2 is a particular case of result of Lehec. Lehec’s proof is by induction on the dimension, and the proof is by functional Steiner symmetrizations. In fact, Mayer and Pajor [15] have proved the Blaschke- Santaló inequality for convex bodies, here we show that Meyer and Pajor’s proof of the Blaschke-Santaló inequality can be extended to the functional setting. It has recently come to our attention that in a remark of [9], Fradelizi and Meyer expressed the same idea to prove the functional Blaschke- Santaló inequality. ## 2\. Notations and background materials Let $|\cdot|$ denote the Euclidean norm. Let ${\rm int}A$ denote the interior of $A\subset\mathbb{R}^{n}$. Let ${\rm cl}A$ denote the closure of $A$. Let ${\rm dim}A$ denote the dimension of $A$. A set $C\subset\mathbb{R}^{n}$ is called a convex cone if $C$ is convex and nonempty and if $x\in C$, $\lambda\geq 0$ implies $\lambda x\in C$. We define $C^{\ast}:=\\{x\in\mathbb{R}^{n}:\langle x,y\rangle\leq 0\;\;{\rm for}\;{\rm all}\;y\in C\\}$ and call this the dual cone of $C$. For a non-empty convex set $K\subset\mathbb{R}^{n}$ and an affine hyperplane $H$ with unit normal vector $u$, the Steiner symmetrization $S_{H}K$ of $K$ with respect to $H$ is defined as $S_{H}K:=\\{x^{\prime}+\frac{1}{2}(t_{1}-t_{2})u:\;x^{\prime}\in P_{H}(K),\;t_{i}\in I_{K}(x^{\prime})\;{\rm for}\;i=1,2\\}$, where $P_{H}(K):=\\{x^{\prime}\in H:\;x^{\prime}+tu\in K\;{\rm for}\;{\rm some}\;t\in\mathbb{R}\\}$ is the projection of $K$ onto $H$ and $I_{K}(x^{\prime}):=\\{t\in\mathbb{R}:\;x^{\prime}+tu\in K\\}$. Let $\bar{\mathbb{R}}=\mathbb{R}\cup\\{-\infty,\infty\\}$. For a given function $f:\mathbb{R}^{n}\rightarrow\bar{\mathbb{R}}$ and for $\alpha\in\bar{\mathbb{R}}$ we use the abbreviation $\\{f=\alpha\\}:=\\{x\in\mathbb{R}^{n}:f(x)=\alpha\\}$, and $\\{f\leq\alpha\\}$, $\\{f<\alpha\\}$ etc. are defined similarly. A function $f:\mathbb{R}^{n}\rightarrow\bar{\mathbb{R}}$ is called proper if $\\{f=-\infty\\}=\emptyset$ and $\\{f=\infty\\}\neq\mathbb{R}^{n}$. A function $\phi$ is called convex if $\phi$ is proper and $\phi(\alpha x+(1-\alpha)y)\leq\alpha\phi(x)+(1-\alpha)\phi(y)$ for all $x,y\in\mathbb{R}^{n}$ and for any $0\leq\lambda\leq 1$. A function $f$ is called log-concave if $f=e^{-\phi}$, where $\phi$ is a convex function. A function $f:\mathbb{R}^{n}\rightarrow\mathbb{R}\cup\\{+\infty\\}$ is called coercive if $\lim_{|x|\rightarrow+\infty}f(x)=+\infty$. A function $f$ is called symmetric about $H$ if for any $x^{\prime}\in H$ and $t\in\mathbb{R}$, $f(x^{\prime}+tu)=f(x^{\prime}-tu)$. A function $f:\mathbb{R}^{n}\rightarrow\mathbb{R}$ is called unconditional about $z$ if $f(x_{1}-z_{1},\dots,x_{n}-z_{n})=f(|x_{1}-z_{1}|,\dots,|x_{n}-z_{n}|)$ for every $(x_{1},\dots,x_{n})\in\mathbb{R}^{n}$. If $z=0$, then $f$ is called unconditional. The effective domain of convex function $\phi$ is the nonempty set ${\rm dom}\phi:=\\{\phi<\infty\\}$. The support of function $f$ is the set ${\rm supp}f:=\\{f\neq 0\\}$. For log-concave function $f=e^{-\phi}$, it is clear that ${\rm supp}f={\rm dom}\phi$. The nonempty set ${\rm epi}\phi:=\\{(x,r)\in\mathbb{R}^{n}\times\mathbb{R}:\;r\geq\phi(x)\\}$ denote the epigraph of convex function $\phi$. For an affine subspace $G$ of $\mathbb{R}^{n}$, let $G^{\perp}$ denote the orthogonal complement of $G$, we have $G^{\bot}=\\{x\in\mathbb{R}^{n}:\langle x,y-y^{\prime}\rangle=0\;{\rm for\;every\;}y,y^{\prime}\in G\\}$. The Santaló point $s_{G}(f)$ of $f$ about $G$ is a point satisfying $\int f^{s_{G}(f)}=\inf_{z\in G}\int f^{z}$. Let $f$ be a log-concave function such that $0<\int f<\infty$, and let $H_{+}$ and $H_{-}$ be two half-spaces bounded by an affine hyperplane $H$; let $0<\lambda<1$; we shall say that $H$ is $\lambda$-separating for $f$ if $\int_{H_{+}}f\int_{H_{-}}f=\lambda(1-\lambda)\left(\int_{\mathbb{R}^{n}}f\right)^{2}$ and when $\lambda=1/2$, we shall say that $H$ is medial for $f$. For a function $\phi:\mathbb{R}^{n}\rightarrow\bar{\mathbb{R}}$, its Legendre transform about $z$ is defined by $\mathcal{L}^{z}\phi(y)=\sup_{x\in\mathbb{R}^{n}}[\langle x-z,y-z\rangle-\phi(x)]$. If $f(x)=e^{-\phi(x)}$, where $\phi(x)$ is a convex function, then $f^{z}(y)=e^{-\mathcal{L}^{z}\phi(y)}$. Since $\mathcal{L}^{z}(\mathcal{L}^{z}\phi)=\phi$ for a convex function $\phi$, $(f^{z})^{z}=f$. If $z=0$, we shall use the simpler notation $\mathcal{L}$ for $\mathcal{L}^{0}$. Given two functions $f,g:\mathbb{R}^{n}\rightarrow[0,\infty)$, their Asplund product is defined by $(f\star g)(x)=\sup_{x_{1}+x_{2}=x}f(x_{1})g(x_{2})$. The $\lambda$-homothety of a function $f$ is defined as $(\lambda\cdot f)(x)=f^{\lambda}(\frac{x}{\lambda})$. Then, the classical Prékopa inequality (see Prékopa [16, 17]) can be stated as follows: Given $f,g:\mathbb{R}^{n}\rightarrow[0,+\infty)$ and $0<\lambda<1$, $\int(\lambda\cdot f)\star((1-\lambda)\cdot g)\geq\left(\int f\right)^{\lambda}\left(\int g\right)^{1-\lambda}$. The following lemma, as a particular case of a result due to Ball [3], was proved by Meyer and Pajor in [15]. ###### Lemma 2.1. [15] Let $f_{0}$, $f_{1}$, $f_{2}:\mathbb{R}^{+}\rightarrow\mathbb{R}^{+}$ be three functions such that $0<\int^{+\infty}_{0}f_{i}<\infty,\;i=0,1,2$, they are continuous and suppose that $f_{0}\left(\frac{2xy}{x+y}\right)\geq f_{1}(x)^{\frac{y}{x+y}}f_{2}(y)^{\frac{x}{x+y}}$ for every $x,y>0$. Then one has $\frac{1}{\int^{+\infty}_{0}f_{0}(t)dt}\leq\frac{1}{2}\left(\frac{1}{\int^{+\infty}_{0}f_{1}(t)dt}+\frac{1}{\int^{+\infty}_{0}f_{2}(t)dt}\right).$ ## 3\. The functional Steiner symmetrization The familiar definition of Steiner symmetrization for a nonnegative measurable function $f$ can be stated as following (see [5, 6, 7, 8]): ###### Definition 1. For a measurable function $f:\mathbb{R}^{n}\rightarrow[0,+\infty)$ and an affine hyperplane $H\subset\mathbb{R}^{n}$, let $m$ denote the Lebesgue measure, if $m(\\{f>t\\})<+\infty$ for all $t>0$, then its Steiner symmetrization is defined as $\displaystyle S_{H}f(x)=\int_{0}^{\infty}\mathcal{X}_{S_{H}\\{f>t\\}}(x)dt,$ (3.1) where $\mathcal{X}_{A}$ denotes the characteristic function of set $A$. Next, we give a approach of defining Steiner symmetrization for coercive convex functions by the Steiner symmetrization of epigraphs. A similar functional steiner symmetrization is defined in a remark of AKM’s paper [1] and studied in an article by Lehec [10]. The idea of our definition is same as the given definition in a remark at the end of an article by Fradelizi and Meyer [9]. ###### Definition 2. For a coercive convex function $\phi$ and an affine hyperplane $H\subset\mathbb{R}^{n}$, we define the Steiner symmetrization $S_{H}\phi$ of $\phi$ with respect to $H$ as a function satisfying $\displaystyle{\rm epi}(S_{H}\phi)=S_{\widetilde{H}}({\rm cl}\;{\rm epi}\phi),$ (3.2) where $\widetilde{H}=\\{(x^{\prime},s)\in\mathbb{R}^{n+1}:x^{\prime}\in H\\}$ is an affine hyperplane in $\mathbb{R}^{n+1}$. ###### Remark 1. (i) By Definition 2, for an integrable log-concave function $f=e^{-\phi}$, the Steiner symmetrization of $f$ can be defined as $S_{H}f:=e^{-(S_{H}\phi)}$. If we define $S_{H}f$ by Definition 1, then $S_{H}f$ still satisfies (3.2). Thus, for integrable log-concave functions, the two definitions are essentially same. (ii) By Definition 2, for a given $x^{\prime}\in H$ and any $s\in\mathbb{R}$, we have $V_{1}\left(\\{(S_{H}\phi)(x^{\prime}+tu)<s\\}\right)=V_{1}\left(\\{\phi(x^{\prime}+tu)<s\\}\right)$. By the Fubini’s theorem, we have $\displaystyle\int_{\mathbb{R}}(S_{H}f)(x^{\prime}+tu)dt=\int_{\mathbb{R}}f(x^{\prime}+tu)dt.$ (3.3) Similarly, $\int_{\mathbb{R}^{n}}S_{H}f=\int_{\mathbb{R}^{n}}f$ is also established. ###### Proposition 1. For a coercive convex function $\phi$ and an affine hyperplane $H\subset\mathbb{R}^{n}$ with outer unit normal vector $u$, then $S_{H}\phi$ has the following properties. (i) $S_{H}\phi$ is a closed coercive convex function and symmetric about $H$. (ii) Let $H_{1}$ and $H_{2}$ be two orthogonal hyperplanes in $\mathbb{R}^{n}$, then $S_{H_{2}}(S_{H_{1}}\phi)$ is symmetric about both $H_{1}$ and $H_{2}$. (iii) For any given $x^{\prime}\in H$ and $t\in\mathbb{R}$, let $\phi_{1}(t):=\phi(x^{\prime}+tu)$ and $(S\phi_{1})(t):=(S_{H}\phi)(x^{\prime}+tu)$, then $(S\phi_{1})(t)$ satisfies one of the following three cases. 1). $(S\phi_{1})(t)=\phi_{1}(t_{1})=\phi_{1}(t_{1}-2t)$ for some $t_{1}\in\mathbb{R}$. 2). $(S\phi_{1})(t)=\phi_{1}(t_{0}-2t)\geq\lim_{t\rightarrow t_{0},\;t<t_{0}}\phi_{1}(t)$ for some $t_{0}\in\mathbb{R}$. 3). $(S\phi_{1})(t)=\phi_{1}(t_{0}+2t)\geq\lim_{t\rightarrow t_{0},\;t>t_{0}}\phi_{1}(t)$ for some $t_{0}\in\mathbb{R}$. ###### Proof. (i) By the fact that $\phi$ is convex if and only if ${\rm epi}\phi$ is convex, since $\phi$ is convex, ${\rm epi}\phi$ is a convex subset of $\mathbb{R}^{n+1}$. Since the closure of a convex set is convex, and the Steiner symmetrization of a convex set is also convex, by (3.2), ${\rm epi}(S_{H}\phi)$ is a convex subset of $\mathbb{R}^{n+1}$. Therefore, $S_{H}\phi$ is a convex function. By Definition 2, it is clear that $S_{H}\phi$ is closed, coercive and symmetric with respect to $H$. (ii) Since ${\rm epi}(S_{H_{2}}(S_{H_{1}}\phi))$ is symmetric about both $\widetilde{H_{1}}$ and $\widetilde{H_{2}}$, where $\widetilde{H_{i}}=\\{(x^{\prime},s)\in\mathbb{R}^{n+1}:x^{\prime}\in H_{i}\\}$ ($i=1,2$), $S_{H_{2}}(S_{H_{1}}\phi)$ is symmetric about both $H_{1}$ and $H_{2}$. (iii) If ${\rm dom}\phi_{1}=\mathbb{R}$, by (3.2) in Definition 2, we have $\displaystyle{\rm epi}(S\phi_{1})=S_{\widetilde{H}}({\rm cl}\;{\rm epi}\phi_{1}).$ (3.4) Thus there exists some $t_{1}\in\mathbb{R}$ satisfying $\displaystyle(S\phi_{1})(t)=\phi_{1}(t_{1})=\phi_{1}(t_{1}-2t).$ (3.5) If ${\rm dom}\phi_{1}\neq\mathbb{R}$, then there exist eight cases for ${\rm dom}\phi_{1}$: 1) $[\alpha,\beta]$; 2) $(\alpha,\beta)$; 3) $(\alpha,\beta]$; 4) $[\alpha,\beta)$; 5) $(-\infty,\beta]$; 6) $(-\infty,\beta)$; 7) $[\alpha,+\infty)$; 8) $(\alpha,+\infty)$. Here, we only prove our conclusion for ${\rm dom}\phi_{1}=(\alpha,\beta)$. By the same method we can prove our conclusion for other cases. For ${\rm dom}\phi_{1}=(\alpha,\beta)$, by Definition 2, it is clear that $(S\phi_{1})(t)=+\infty$ for $|t|\geq\frac{\beta-\alpha}{2}$. If $|t|<\frac{\beta-\alpha}{2}$, let $\lim_{x\rightarrow\alpha,\;x>\alpha}\phi_{1}(x)=b_{1},\;\;\lim_{x\rightarrow\beta,\;x<\beta}\phi_{1}(x)=b_{2}$, then we consider the following four cases. (a) If $b_{1}=b_{2}=+\infty$, then by (3.4), there exists some $t_{1}\in\mathbb{R}$ satisfying (3.5). (b) If $b_{1}<+\infty,\;\;b_{2}=+\infty$, then there exists $\gamma\in(\alpha,\beta)$ such that $\phi_{1}(\gamma)=b_{1}$. Then by (3.4), for $|t|<\frac{\gamma-\alpha}{2}$, (3.5) is established, for $|t|\geq\frac{\gamma-\alpha}{2}$, we have $(S\phi_{1})(t)=\phi_{1}(\alpha+2t)\geq b_{1}$. (c) If $b_{1}=+\infty,\;\;b_{2}<+\infty$, then there exists $\gamma\in(\alpha,\beta)$ such that $\phi_{1}(\gamma)=b_{2}$. Then by (3.4), for $|t|<\frac{\beta-\gamma}{2}$, (3.5) is established, for $|t|\geq\frac{\gamma-\alpha}{2}$, we have $(S\phi_{1})(t)=\phi_{1}(\beta-2t)\geq b_{2}$. (d) If $b_{1}<\infty,\;\;b_{2}<+\infty$, we consider three cases. If $b_{1}=b_{2}$, then (3.5) is established. If $b_{1}>b_{2}$, the proof is same as in (c). If $b_{1}<b_{2}$, the proof is same as in (b). This completes the proof. ∎ ## 4\. The proofs of theorems In order to prove theorems stated in the introduction, we have to establish the following six lemmas: ###### Lemma 4.1. If $f$ be a log-concave function such that $0<\int f<\infty$, then the function $F$ defined by $F(z):=\int_{\mathbb{R}^{n}}f^{z}(x)dx$ has the following properties. (i) $F(z)$ is a coercive convex function on $\mathbb{R}^{n}$ and is strictly convex on ${\rm int}\;{\rm dom}F$; (ii) If $f(x)$ is even about $z_{0}$, then $F(z)$ is also even about $z_{0}$. ###### Proof. (i) Step 1. We shall prove $F$ is coercive. Let $f=e^{-\phi}$, for any given $z\in\mathbb{R}^{n}$ and $r>0$, we have $\displaystyle F(z)=\int_{\mathbb{R}^{n}}f^{z}(x+z)dx\geq\int_{rB_{2}^{n}}f^{z}(x+z)dx=\int_{rB_{2}^{n}}e^{-\mathcal{L}\phi(x)+\langle x,z\rangle}dx.$ (4.1) Since $f=e^{-\phi}$ is integrable, there is $\gamma>0$ and $h\in\mathbb{R}$ such that $\displaystyle\phi(x)\geq\gamma\sum_{i=1}^{n}|x_{i}|+h\;\;{\rm for}\;{\rm any}\;x\in\mathbb{R}^{n}.$ (4.2) Thus, for $y\in\gamma B_{\infty}^{n}$, where $B_{\infty}^{n}=\\{x\in\mathbb{R}^{n}:|x_{i}|\leq 1,i=1,\dots,n\\}$, $\mathcal{L}\phi(y)\leq\sup_{x\in\mathbb{R}^{n}}[\langle y,x\rangle-\gamma\sum_{i=1}^{n}|x_{i}|-h]\leq-h$. Let $rB_{2}^{n}\subset\frac{1}{2}\gamma B_{\infty}^{n}$, we have $rB_{2}^{n}\subset{\rm int}({\rm dom}\mathcal{L}\phi)$. Since function $g(x):\;=e^{-\mathcal{L}\phi(x)}$ is continuous on $rB_{2}^{n}$. Thus, there exists $m>0$ such that $g(x)\geq m$ for any $x\in rB_{2}^{n}$. Therefore, $\displaystyle\int_{rB_{2}^{n}}e^{-\mathcal{L}\phi(x)+\langle x,z\rangle}dx\geq m\int_{rB_{2}^{n}}e^{\langle x,z\rangle}dx.$ (4.3) For any $z\in\mathbb{R}^{n}$ and $|z|\geq 1$, let $z^{\prime}=\frac{r}{2}\frac{z}{|z|}$, we get a closed half-space $H^{+}=\\{x\in\mathbb{R}^{n}:\langle x-z^{\prime},z\rangle\geq 0\\}$. For any $x\in H^{+}$, we have $\langle x,z\rangle\geq\langle z^{\prime},z\rangle=\frac{r}{2}|z|$. Therefore, $\displaystyle\int_{rB_{2}^{n}}e^{\langle x,z\rangle}dx$ $\displaystyle\geq$ $\displaystyle\int_{(rB_{2}^{n})\cap H^{+}}e^{\frac{r|z|}{2}}dx=V_{n}((rB_{2}^{n})\cap H^{+})e^{\frac{r|z|}{2}}.$ (4.4) Since $V_{n}((rB_{2}^{n})\cap H^{+})$ is a positive constant independent of $z$, by (4.1), (4.3) and (4.4), $F(z)$ is coercive. Step 2. We shall prove that $F$ is convex and is strictly convex on ${\rm int}\;{\rm dom}F$. First, we prove $F(z)$ is proper. It is clear that $F(z)>-\infty$ for any $z\in\mathbb{R}^{n}$. The following claim shows that $\\{F=\infty\\}\neq\mathbb{R}^{n}$. ###### Claim 1. For any $z\in{\rm int}\;{\rm supp}f$, $F(z)<\infty$. Proof of Claim 1. For any $z\in{\rm int}\;{\rm supp}f$, there is a closed ball $z+rB_{2}^{n}\subset{\rm supp}f$. Since ${\rm supp}f={\rm dom}\phi$, there is $M\in\mathbb{R}$ such that $M=\sup\\{\phi(y):y\in z+rB_{2}^{n}\\}$. Thus, we have $f^{z}(x)\leq\exp\\{-\sup_{y\in(z+rB_{2}^{n})}[\langle x-z,y-z\rangle-\phi(y)]\\}\leq e^{M}\cdot e^{-r|x-z|^{2}}.$ Therefore, $\int_{\mathbb{R}^{n}}f^{z}(x)dx\leq e^{M}\int_{\mathbb{R}^{n}}e^{-r|x-z|^{2}}dx<\infty.$ $\Box$ For any $z_{1},z_{2}\in\mathbb{R}^{n}$ and $\alpha\in(0,1)$. Let $f=e^{-\phi}$, we have $F(z)=\int_{\mathbb{R}^{n}}e^{-\mathcal{L}\phi(x)+\langle x,z\rangle}dx$. Since $g_{x}(z):=e^{-\mathcal{L}\phi(x)+\langle x,z\rangle}$ is a convex function about $z$, we have $\displaystyle F(\alpha z_{1}+(1-\alpha)z_{2})\leq\alpha F(z_{1})+(1-\alpha)F(z_{2}).$ (4.5) If $z_{1},z_{2}\in{\rm int}\;{\rm dom}F$ and $z_{1}\neq z_{2}$, then inequality (4.5) is a strict inequality. Thus $F(z)$ is strictly convex on ${\rm int}\;{\rm dom}F$. (ii) Since $f(x)$ is even about $z_{0}$, $f(z_{0}+x)=f(z_{0}-x)$ for any $x\in\mathbb{R}^{n}$. For any $z\in\mathbb{R}^{n}$, we have $F(z_{0}+z)=\int_{\mathbb{R}^{n}}f^{z_{0}+z}(x)dx=\int_{\mathbb{R}^{n}}f^{z_{0}-z}(-x+2z_{0})dx=F(z_{0}-z).$ This completes the proof. ∎ ###### Remark 2. By Lemma 4.1, if $f$ is even about $z_{0}$, then $s(f)=z_{0}$. ###### Lemma 4.2. Let $f$ be a log-concave function such that $0<\int f<\infty$, and let $G\subset\mathbb{R}^{n}$ be an affine subspace satisfying $G\cap{\rm int}\;{\rm supp}f\neq\emptyset$. Then there exists a unique point $z_{0}\in G$ satisfying the following two equivalent claims. (i) $F(z_{0})=\min\\{F(z);z\in G\\}$, where $F(z):=\int_{\mathbb{R}^{n}}f^{z}(x)dx$. (ii) ${\rm grad}F(z_{0})=\int_{\mathbb{R}^{n}}xf^{z_{0}}(x+z_{0})dx\in G^{\bot}$. ###### Proof. By Lemma 4.1, $F$ is coercive and strictly convex on ${\rm int}\;{\rm dom}F$, thus there is a unique minimal point $z_{0}=s_{G}(f)$ on $G$. Let $f=e^{-\phi}$, then $F(z)=\int_{\mathbb{R}^{n}}e^{-\mathcal{L}\phi(x)+\langle x,z\rangle}dx$. By the dominated convergence theorem, we have ${\rm grad}F(z)=\int_{\mathbb{R}^{n}}xe^{-\mathcal{L}\phi(x)+\langle x,z\rangle}dx=\int_{\mathbb{R}^{n}}xf^{z}(x+z)dx$. Next, we prove the equivalence of (i) and (ii). Let $\eta_{1},\dots,\eta_{m}\;(m<n)$ be an orthonormal basis of $G$ and let $\eta_{m+1},\dots,\eta_{n}$ be an orthonormal basis of $G^{\perp}$. Let $z=\sum_{i=1}^{n}z_{i}\eta_{i}$, since $z_{0}=s_{G}(f)\in G$, we have $\left.\frac{\partial F(z)}{\partial z_{i}}\right|_{z=z_{0}}=\lim_{t\rightarrow 0}\frac{F(z_{0}+t\eta_{i})-F(z_{0})}{t}=0,\;\;i=1,\dots,m$. Hence, ${\rm grad}F(z_{0})\in G^{\bot}$. On the other hand, if ${\rm grad}F(z_{0})\in G^{\bot}$, then $\left.\frac{\partial F(z)}{\partial z_{i}}\right|_{z=z_{0}}=0,\;i=1,\dots,m$. Since $F(z)$ is strictly convex on $G\cap{\rm int}\;{\rm dom}F$, $z_{0}$ is the unique minimal point on $G$. ∎ ###### Remark 3. In Lemma 4.2, if $G=\mathbb{R}^{n}$, then the lemma shows that the Santaló point $s(f)$ of $f$ is the barycenter of the function $f^{s(f)}$. ###### Lemma 4.3. Let $f$ be a log-concave function such $0<\int f<\infty$. Let $G\subset\mathbb{R}^{n}$ be an affine subspace satisfying $G\cap{\rm int}\;{\rm supp}f\neq\emptyset$ and $z=s_{G}(f)$. Let $H$ be an affine hyperplane such that $G\subset H$ and let $g$ be the function defined by $g^{z}=S_{H}(f^{z})$. Then we have $s_{G}(g)=z=s_{G}(f)$. ###### Proof. It may be supposed that $z=s_{G}(f)=0$, $H=\\{(x_{1},\cdots,x_{n})\in\mathbb{R}^{n}:x_{n}=0\\}$ and $G=\\{(x_{1},\cdots,x_{n})\in\mathbb{R}^{n}:x_{m+1}=\cdots=x_{n}=0\\}$ for some $m$, $1\leq m\leq n-1$. By Lemma 4.2, we have $\int_{\mathbb{R}^{n}}xf^{0}(x)dx\in G^{\bot}$. Let $f^{0}_{x^{\prime}}(t):=f^{0}(x^{\prime}+tu)$ for any $x^{\prime}\in H$, where $u$ is the unit normal vector of $H$. Thus, $\int_{H}x_{i}\left(\int_{\mathbb{R}}f^{0}_{x^{\prime}}(t)dt\right)dx^{\prime}=0\;\;\textrm{for}\;\;1\leq i\leq m$. By $g^{0}=S_{H}(f^{0})$ and (3.3), for every $x^{\prime}\in H$, $\int_{\mathbb{R}}f^{0}_{x^{\prime}}(t)=\int_{\mathbb{R}}g^{0}_{x^{\prime}}(t)$. Thus, $\int_{H}x_{i}\left(\int_{\mathbb{R}}g^{0}_{x^{\prime}}(t)dt\right)dx^{\prime}=0\;\;\textrm{for}\;\;1\leq i\leq m$, which conversely gives $\int_{\mathbb{R}^{n}}xg^{0}(x)dx\in G^{\bot}$. Thus, by Lemma 4.2 again, we obtain $s_{G}(g)=0=s_{G}(f)$. ∎ ###### Lemma 4.4. For a log-concave function $f$ such that $0<\int f<\infty$, if $f$ is symmetric about some affine hyperplane $H$, then, for any $z\in H$, $f^{z}$ is also symmetric about $H$. ###### Proof. Let $u$ be the unit normal vector of $H$. For any $x^{\prime},y^{\prime}\in H$ and $s,t\in\mathbb{R}$, since $f(x^{\prime}+su)=f(x^{\prime}-su)$, we have $\displaystyle f^{z}(y^{\prime}+tu)$ $\displaystyle=$ $\displaystyle\inf_{x^{\prime}+su\in\mathbb{R}^{n}}\frac{\exp\\{-\langle y^{\prime}+tu-z,x^{\prime}+su-z\rangle\\}}{f(x^{\prime}+su)}$ $\displaystyle=$ $\displaystyle\inf_{x^{\prime}+su\in\mathbb{R}^{n}}\frac{\exp\\{-\langle y^{\prime}-z-tu,x^{\prime}-z-su\rangle\\}}{f(x^{\prime}-su)}=f^{z}(y^{\prime}-tu).$ This completes the proof. ∎ ###### Lemma 4.5. Let $f$ be a log-concave function such that $0<\int f<\infty$ and let $H$ be an affine hyperplane satisfying $H\cap{\rm int}\;{\rm supp}f\neq\emptyset$ and $z\in H\cap{\rm int}\;{\rm supp}f$; let $\lambda$, $0<\lambda<1$ such that $H$ is $\lambda$-separating for $f^{z}$. Then $\int_{\mathbb{R}^{n}}(S_{H}f)^{z}\geq 4\lambda(1-\lambda)\int_{\mathbb{R}^{n}}f^{z}.$ ###### Proof. It may be supposed that $z=0$ and $H=\\{(x_{1},\dots,x_{n}):x_{n}=0\\}$. For $y^{\prime}\in H$ and $s\in\mathbb{R}$, let $(y^{\prime},s)$ denote $y^{\prime}+su$, where $u$ is a unit normal vector of $H$. For $f^{0}$ and $s\in\mathbb{R}$, we define a new function $f^{0}_{(s)}(y^{\prime}):=f^{0}(y^{\prime},s),\;{\rm for\;any}\;y^{\prime}\in H.$ Next we shall prove that for any $y^{\prime}\in H$ and $s,t>0$ $\displaystyle\left(\frac{t}{s+t}\cdot f_{(s)}^{0}\right)\star\left(\frac{s}{s+t}\cdot f_{(-t)}^{0}\right)(y^{\prime})\leq(S_{H}f)^{0}_{(\frac{2st}{s+t})}(y^{\prime}).$ (4.6) ###### Claim 2. For any $x^{\prime}\in H$ and $w\in\mathbb{R}$, if $(S_{H}f)(x^{\prime}+wu)>0$, then there is some $w_{1}\in\mathbb{R}$ such that $(S_{H}f)(x^{\prime}+wu)\leq f(x^{\prime}+w_{1}u)$ and $(S_{H}f)(x^{\prime}+wu)\leq f(x^{\prime}+(w_{1}-2w)u)$. Proof of Claim 2. Let $f=e^{-\phi}$, since $(S_{H}f)(x^{\prime}+wu)>0$, then $(S_{H}\phi)(x^{\prime}+wu)<+\infty$. By Proposition 1(iii), there is $w_{1}\in\mathbb{R}$ such that $(S_{H}\phi)(x^{\prime}+wu)\geq\phi(x^{\prime}+w_{1}u)$ and $(S_{H}\phi)(x^{\prime}+wu)\geq\phi(x^{\prime}+(w_{1}-2w)u)$, here we assume $\phi(x^{\prime}+w_{1}u)$ or $\phi(x^{\prime}+(w_{1}-2w)u)$ equals the limit in Proposition 1(iii), which doesn’t affect our proof. Hence the claim follows. $\Box$ For any $y_{1}^{\prime}$, $y_{2}^{\prime}\in H$ such that $y^{\prime}=y_{1}^{\prime}+y_{2}^{\prime}$, we have $\displaystyle(S_{H}f)_{(\frac{2st}{s+t})}^{0}(y^{\prime})$ $\displaystyle=$ $\displaystyle\inf_{(x^{\prime},w)\in H\times\mathbb{R}}\frac{\exp\\{-\langle(y^{\prime},\frac{2st}{s+t}),(x^{\prime},w)\rangle\\}}{(S_{H}f)(x^{\prime},w)}$ $\displaystyle\geq$ $\displaystyle\inf_{(x^{\prime},w)\in H\times\mathbb{R}}\frac{\exp\\{-\langle(y^{\prime},\frac{2st}{s+t}),(x^{\prime},w)\rangle\\}}{f(x^{\prime},w_{1})^{\frac{t}{s+t}}f(x^{\prime},w_{1}-2w)^{\frac{s}{s+t}}}$ $\displaystyle\geq$ $\displaystyle\inf_{(x^{\prime},w)\in H\times\mathbb{R}}\frac{\exp\\{-\frac{t}{s+t}\langle(\frac{s+t}{t}y_{1}^{\prime},s),(x^{\prime},w_{1})\rangle\\}}{f(x^{\prime},w_{1})^{\frac{t}{s+t}}}$ $\displaystyle\times\inf_{(x^{\prime},w)\in H\times\mathbb{R}}\frac{\exp\\{-\frac{s}{s+t}\langle(\frac{s+t}{s}y_{2}^{\prime},-t),(x^{\prime},w_{1}-2w)\rangle\\}}{f(x^{\prime},w_{1}-2w)^{\frac{s}{s+t}}}$ $\displaystyle\geq$ $\displaystyle f^{0}\left(\frac{s+t}{t}y_{1}^{\prime},s\right)^{\frac{t}{s+t}}f^{0}\left(\frac{s+t}{s}y_{2}^{\prime},-t\right)^{\frac{s}{s+t}},$ where the first inequality is by Claim 2, and the second inequality is by $\inf(AB)\geq(\inf A)(\inf B)$, and last inequality is by the definition of the polar of functions. Since $y^{\prime}_{1}$ and $y^{\prime}_{2}$ are arbitrary, we get (4.6). Let $F_{0}(w)=\int_{H}(S_{H}f)^{0}_{(w)}$, $F_{1}(s)=\int_{H}f^{0}_{(s)}$ and $F_{2}(t)=\int_{H}f^{0}_{(-t)}$. By the Prékopa inequality and (4.6), we have $F_{0}(\frac{2st}{s+t})\geq F_{1}(s)^{\frac{t}{s+t}}F_{2}(t)^{\frac{s}{s+t}}\;{\rm for}\;{\rm every}\;s,t>0.$ Now, by Proposition 1(i) and Lemma 4.4, $(S_{H}f)^{0}$ is symmetric about $H$, we have $\int_{0}^{+\infty}F_{0}=\frac{1}{2}\int_{\mathbb{R}^{n}}(S_{H}f)^{0}$ and since $H$ is $\lambda$-separating for $f^{0}$, we have $\left(\int_{0}^{+\infty}F_{1}\right)\left(\int_{0}^{+\infty}F_{2}\right)=\lambda(1-\lambda)\left(\int_{\mathbb{R}^{n}}f^{0}\right)^{2}$. Since $F_{0}$, $F_{1}$, $F_{2}:[0,+\infty)\rightarrow\mathbb{R}^{+}$ satisfy the hypothesis of Lemma 2.1, and by definitions of $F_{1}$ and $F_{2}$, one has $\int_{0}^{+\infty}F_{1}+\int_{0}^{+\infty}F_{2}=\int_{\mathbb{R}^{n}}f^{0}$, thus, by Lemma 2.1 $\displaystyle\frac{2}{\int_{\mathbb{R}^{n}}(S_{H}f)^{0}}\leq\frac{1}{2}\left(\frac{1}{\int_{0}^{+\infty}F_{1}}+\frac{1}{\int_{0}^{+\infty}F_{2}}\right)=\frac{1}{2\lambda(1-\lambda)\int_{\mathbb{R}^{n}}f^{0}}.$ This gives the desired inequality. ∎ ###### Lemma 4.6. If $f$ is an integrable, unconditional, log-concave function, then $\int_{\mathbb{R}^{n}}f\int_{\mathbb{R}^{n}}f^{0}\leq(2\pi)^{n}$. ###### Proof. Let $f_{1}=f$, $f_{2}=f^{0}$ and $f_{3}=e^{-\frac{|x|^{2}}{2}}$, then $f_{1}$, $f_{2}$ and $f_{3}$ are unconditional. Thus we have $\int_{\mathbb{R}^{n}}f_{j}=2^{n}\int_{\mathbb{R}_{+}^{n}}f_{j},\;\;j=1,2,3$. For $(y_{1},\dots,y_{n})\in\mathbb{R}^{n}$, we define $g_{i}(y_{1},\dots,y_{n})=f_{i}(e^{y_{1}},\dots,e^{y_{n}})e^{\sum_{i=1}^{n}y_{i}}$. We get $\int_{\mathbb{R}_{+}^{n}}f_{j}=\int_{\mathbb{R}^{n}}g_{j}$, and for every $s,t\in\mathbb{R}^{n}$, $g_{1}(s)g_{2}(t)\leq g_{3}\left(\frac{s+t}{2}\right)^{2}$. Hence $\int_{\mathbb{R}^{n}}f\int_{\mathbb{R}^{n}}f^{0}\leq(2\pi)^{n}$ follows from Prékopa inequality. ∎ Proof of Theorem 1.2. We proceed by $n$ successive Steiner symmetrizations until we get an unconditional log-concave function. Let $u_{1}\in S^{n-1}$, $u_{1}$ orthogonal to $H=H_{1}$ and let $(u_{i})_{i=2}^{n}\subset S^{n-1}$ such that $(u_{1},\dots,u_{n})$ form an orthonormal basis for $\mathbb{R}^{n}$. Let $z_{1}=s_{H_{1}}(f)$ and define a log-concave function $f_{1}$ by the identity $f_{1}^{z_{1}}=S_{H_{1}}(f^{z_{1}})$. Then $\int f_{1}^{z_{1}}=\int f^{z_{1}}$. By Proposition 1(i) and Lemma 4.4, $f_{1}$ is symmetric about $H_{1}$ and by Lemma 4.5, applied to $f^{z_{1}}$, $z=z_{1}$ and $H=H_{1}$, $\lambda$-separating for $f=(f^{z_{1}})^{z_{1}}$, we get $\int_{\mathbb{R}^{n}}f_{1}\geq 4\lambda(1-\lambda)\int_{\mathbb{R}^{n}}f$ and thus $\int f_{1}\int f_{1}^{z_{1}}\geq 4\lambda(1-\lambda)\int f\int f^{z_{1}}$. Choose now the hyperplane $H_{2}$, orthogonal to $u_{2}$, and medial for $f_{1}$ and define $z_{2}=s_{(H_{1}\cap H_{2})}(f_{1})$. By Lemma 4.3 we have $z_{1}=s_{H_{1}}(f)=s_{H_{1}}(f_{1})$, we get $\int f_{1}^{z_{2}}=\min_{z\in H_{1}\cap H_{2}}\int f_{1}^{z}\geq\min_{z\in H_{1}}\int f_{1}^{z}=\int f_{1}^{z_{1}}$. We define now a new log-concave function $f_{2}$ by the identity $f_{2}^{z_{2}}=S_{H_{2}}(f_{1}^{z_{2}})$. By Proposition 1(ii) and Lemma 4.4, $f_{2}$ is symmetric about both $H_{1}$ and $H_{2}$. Since $H_{2}$ is medial for $f_{1}$, we get by Lemma 4.5 applied to $f_{1}^{z_{2}}$, $z=z_{2}$ and $H=H_{2}$ that $\int f_{2}\geq\int f_{1}$. Moreover, we have $\int f_{2}^{z_{2}}=\int S_{H_{2}}(f_{1}^{z_{2}})=\int f_{1}^{z_{2}}\geq\int f_{1}^{z_{1}}$. It follows that $\int f_{2}\int f_{2}^{z_{2}}\geq\int f_{1}\int f_{1}^{z_{1}}$. We continue this procedure by choosing hyperplanes $H_{2},\dots,H_{n}$, points $z_{2},\dots,z_{n}$, and defining log-concave functions $f_{2},\dots,f_{n}$ such that for $2\leq i\leq n$, we have (i) $H_{i}$ is medial for $f_{i-1}$ and orthogonal to $u_{i}$; (ii) $z_{i}=s_{(H_{1}\cap H_{2}\cap\dots\cap H_{i})}(f_{i-1})$; (iii) $f_{i}^{z_{i}}=S_{H_{i}}(f_{i-1}^{z_{i}})$. From (ii) (iii) and Lemma 4.3, we have $z_{i}=s_{(H_{1}\cap\dots\cap H_{i})}(f_{i-1})=s_{(H_{1}\cap\dots\cap H_{i})}(f_{i})$. Choosing $H_{i+1}$, $z_{i+1}$, $f_{i+1}$ according to (i) (ii) (iii), we get thus $\int f_{i+1}^{z_{i+1}}=\int S_{H_{i+1}}(f_{i}^{z_{i+1}})=\int f_{i}^{z_{i+1}}\geq\int f_{i}^{s_{(H_{1}\cap\dots\cap H_{i})}(f_{i})}=\int f_{i}^{z_{i}}$. Now, Lemma 4.5 applied to $f_{i}^{z_{i+1}}$, $z=z_{i+1}$ and $H_{i+1}$, medial for $f_{i}=(f_{i}^{z_{i+1}})^{z_{i+1}}$, gives $\int f_{i+1}\geq\int f_{i}$. Thus, $\int f_{i}\int f_{i}^{z_{i}}$ is an increasing sequence, for $2\leq i\leq n$. Therefore, we have $4\lambda(1-\lambda)\int f\int f^{z_{1}}\leq\int f_{1}\int f_{1}^{z_{1}}\leq\dots\leq\int f_{n}\int f_{n}^{z_{n}}$. From Proposition 1(ii), $f_{n}$ is an unconditional function about $z_{n}$ and $z_{n}\in H_{1}\cap H_{2}\cap\dots\cap H_{n}$ is a center of symmetry for $f_{n}$. By Lemma 4.6, we have $\int f\int f^{z_{1}}\leq\frac{(2\pi)^{n}}{4\lambda(1-\lambda)}$, this concludes the proof. $\Box$ ## References * [1] S. Artstein, B. Klartag, V. D. 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Fortier, Convergence results for rearrangements: Old and new, M.S. Thesis, University of Toronto, December 2010. * [9] M. Fradelizi, M. Meyer, Some functional forms of Blaschke-Santal$\acute{o}$ inequality, Math. Z. 256 (2007), 379-395. * [10] J. Lehec, The symmetric property $\tau$ for the Gaussian measure, Ann. Fac. Sci. Toulouse Math. 17(6) (2008), 357-370. * [11] J. Lehec, Partitions and functional Santaló inequality, Arch. Math. 92 (2009), 89-94. * [12] J. Lehec, A direct proof of the functional Santaló inequality, C. R. Math. Acad. Sci. Paris, 347 (2009), 55-58. * [13] E. Lutwak, G. Zhang, Blaschke-Santaló inequalities, J. Differ. Geom. 47(1) (1997), 1-16. * [14] E. Lutwak, D. Yang, G. Zhang, Moment-entropy inequalities, Ann. Probab. 32 (2004), 757-774. * [15] M. Meyer, A. Pajor, On the Blaschke Santaló inequality, Arch. Math. 55 (1990), 82-93. * [16] A. Pr kopa, Logarithmic concave measures with applications to stochastic programming, Acta Sci. Math. (Szeged) 32 (1971), 301-316. * [17] A. Pr kopa, On logarithmic concave measures and functions, Acta Sci. Math. (Szeged) 34 (1973), 339-343. * [18] L. A. Santaló, An affine invariant for convex bodies of n-dimensional space. Port. Math. 8 (1949), 155-161. * [19] R. Schneider, Convex Bodies: The Brunn-Minkowski Theory, Encyclopedia Math. Appl., vol. 44, Cambridge University Press, Cambridge, 1993.
arxiv-papers
2014-03-03T03:19:28
2024-09-04T02:49:59.194323
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Youjiang Lin and Gangsong Leng", "submitter": "Youjiang Lin", "url": "https://arxiv.org/abs/1403.0299" }