论文标题
随机过渡：高能量屏障的路径可以在早期阶段占主导地位
Stochastic transitions: Paths over higher energy barriers can dominate in the early stages
论文作者
论文摘要
许多物理，化学和生物系统的时间演变可以通过描述感兴趣系统的势能表面的最小值之间的随机过渡来建模。我们表明，如果系统可以采用两种（或更多）可能的途径，则过渡的可用时间至关重要。反应速率理论确定过渡速率的众所周知的结果适用于长期限制。但是，在短时间内，只要相位空间中的距离较短，系统就可以选择以更高的概率越过更高的概率。我们构建了两个简单的模型来说明这种一般现象。我们还提出了Vanden-Eijnden和Heymann的GMAM算法的扩展[J.化学物理。 {\ bf 128}，061103（2008）]确定短期和长时间最可能的路径。
The time evolution of many physical, chemical, and biological systems can be modelled by stochastic transitions between the minima of the potential energy surface describing the system of interest. We show that in cases where there are two (or more) possible pathways that the system can take, the time available for the transition to occur is crucially important. The well-known results of reaction rate theory for determining the rates of the transitions apply in the long-time limit. However, at short times, the system can instead choose to pass over higher energy barriers with much higher probability, as long as the distance to travel in phase space is shorter. We construct two simple models to illustrate this general phenomenon. We also present an extension of the gMAM algorithm of Vanden-Eijnden and Heymann [J. Chem. Phys. {\bf 128}, 061103 (2008)] to determine the most likely path at both short and long times.
