Sampling rare events in nonequilibrium and nonstationary systems.
Sampling rare events in nonequilibrium and nonstationary systems.
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DOI：
10.1063/1.3525099
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发表时间：
2010-01
期刊：
影响因子：
--
通讯作者：
J. T. Berryman;T. Schilling
中科院分区：
文献类型：
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作者：
J. T. Berryman;T. Schilling
虽然存在许多用于稀有事件采样的计算方法，但这种类型的计算通常不适用于一般非平衡条件，具有宏观不可逆动力学并且远离稳态和亚稳态。本文提出了一种新的计算罕见事件概率时间序列的方法。该方法被验证的情况下的Glauber-Ising模型下随时间变化的剪切流，Kawasaki-Ising模型淬火后的区域之间的成核为主和spinodal分解为主的相变动力学，和并行开放的不对称排斥过程。该方法需要细分的相空间的系统：它是基准，并发现规模越来越精细的细分，这意味着它可以应用没有详细的预知的物理重要的反应途径。
Although many computational methods for rare event sampling exist, this type of calculation is not usually practical for general nonequilibrium conditions, with macroscopically irreversible dynamics and away from both stationary and metastable states. A novel method for calculating the time-series of the probability of a rare event is presented which is designed for these conditions. The method is validated for the cases of the Glauber-Ising model under time-varying shear flow, the Kawasaki-Ising model after a quench into the region between nucleation dominated and spinodal decomposition dominated phase change dynamics, and the parallel open asymmetric exclusion process. The method requires a subdivision of the phase space of the system: it is benchmarked and found to scale well for increasingly fine subdivisions, meaning that it can be applied without detailed foreknowledge of the physically important reaction pathways.