双范德瓦尔斯势能面上的输运与漫游
Transport and roaming on the Double van der Waals Potential Energy Surface
摘要：
本文研究了双势阱范德华势面输运的相空间结构。轨迹分为井间轨迹、井内轨迹和井外轨迹，以定义不同的动态命运。特别是，漫游轨迹，这是一个新的范例，在化学反应动力学，观察。我们应用拉格朗日描述子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周期轨道的稳定和不稳定流形，当能量增加时分叉。这里提出的方法适用于其他开放系统的双阱潜力。
英文摘要：
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.
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