论文标题
具有入口通道和两个潜在孔的势能表面上动力学的相空间分析
Phase Space Analysis of the Dynamics on a Potential Energy Surface with an Entrance Channel and Two Potential Wells
论文作者
论文摘要
在本文中，我们揭示了相位空间结构的几何模板，该模板控制着由带有入口/出口通道的势能表面描述的哈密顿系统中传输的几何模板，而两个井被Index-1鞍形分开。为了分析非线性动力学机制，我们应用了Lagrangian描述符的方法，Lagrangian描述符是一种基于轨迹的标量诊断工具，该工具能够在系统的不变流形之间提供相互作用的详细相位空间断层扫描。我们的分析表明，在井区域中存在的两个不稳定的周期轨道（UPO）家族的稳定和不稳定的流形负责控制通过通道进入系统进入系统的轨迹的通道。实际上，我们证明了在UPOS家族的流形之间出现的杂斜和同质层连接表征了分支比，这是一种用于测量化学反应动力学中产品分布的相关数量。
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 two families of unstable periodic orbits (UPOs) that exist in the regions of the wells are responsible for controlling the access to the wells of trajectories that enter the system through the channel. In fact, 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.
