Phase space analysis of the dynamics on a potential energy surface with an entrance channel and two potential wells.
Phase space analysis of the dynamics on a potential energy surface with an entrance channel and two potential wells.
复制标题
具有入口通道和两个势阱的势能表面动力学的相空间分析。
DOI：
10.1103/physreve.102.012215
复制
发表时间：
2020
期刊：
影响因子：
--
通讯作者：
S. Wiggins
中科院分区：
文献类型：
--
作者：
M. Katsanikas;V. J. García;M. Agaoglou;S. Wiggins
在本文中，我们揭示了相空间结构的几何模板，支配输运的哈密顿系统所描述的势能面与入口/出口通道和两个威尔斯分开的指数-1鞍。对于非线性动力学机制的分析，我们采用拉格朗日描述符的方法，一个基于标量的诊断工具，能够提供一个详细的相空间层析成像系统的不变流形之间的相互作用。我们的分析表明，稳定和不稳定的流形的两个家庭的不稳定周期轨道（UPO）的区域中存在的威尔斯负责控制访问的潜在威尔斯的轨迹进入系统通过入口/出口通道。我们表明，异宿和同宿的连接，出现在系统之间的流形的家庭的UPO的特征分支比，相关的数量用于测量产品分布在化学反应动力学。
In this paper, we unveil the geometrical template of phase space structures that governs transport in a Hamiltonian system described by a potential energy surface with an entrance/exit channel and two wells separated by an index-1 saddle. For the analysis of the nonlinear dynamics mechanisms, we apply the method of Lagrangian descriptors, a trajectory-based scalar diagnostic tool that is capable of providing a detailed phase space tomography of the interplay between the invariant manifolds of the system. Our analysis reveals that the stable and unstable manifolds of the two families of unstable periodic orbits (UPOs) that exist in the regions of the wells are responsible for controlling access to the potential wells of the trajectories that enter the system through the entrance/exit channel. We demonstrate that the heteroclinic and homoclinic connections that arise in the system between the manifolds of the families of UPOs characterize the branching ratio, a relevant quantity used to measure product distributions in chemical reaction dynamics.
具有后过渡态分岔的对称势能面选择性的相空间机制
影响因子：
2.8
作者：
Agaoglou M
通讯作者：
Agaoglou M
影响因子：
3.3
作者：
Rehbein, Julia;Carpenter, Barry K.
通讯作者：
Carpenter, Barry K.