论文标题
在双范德华势能表面上运输和漫游
Transport and roaming on the Double van der Waals Potential Energy Surface
论文作者
论文摘要
本文探讨了表征双孔范德华电势表面的传输的相空间结构。轨迹被归类为孔间，内孔和逃避从井中逃脱的，以定义不同的动态命运。特别是，观察到化学反应动力学的新范式的漫游轨迹。我们应用拉格朗日描述符的方法来揭示命运之间的边界。我们发现，不同命运之间的边界是双曲线周期性轨道的稳定和不稳定的歧管，当能量增加时会分叉。此处介绍的方法适用于具有双孔电势的其他开放系统。
This paper explores the phase space structures characterising transport for a double-well van der Waals potential surface. Trajectories are classified as inter-well, intra-well, and escaping-from-a-well to define different dynamical fates. In particular, roaming trajectories, which are a new paradigm in chemical reaction dynamics, are observed. We apply the method of Lagrangian descriptors to uncover the boundaries between the fates. We find that the boundaries between different fates are the stable and unstable manifolds of the hyperbolic periodic orbits, which bifurcate when the energy increases. The methodology presented here applies to other open systems with a double-well potential.
