Rare switching events in non-stationary systems

被引:10
|
作者
Becker, Nils B. [1 ]
ten Wolde, Pieter Rein [1 ]
机构
[1] FOM Inst Atom & Mol Phys AMOLF, NL-1098 XG Amsterdam, Netherlands
来源
JOURNAL OF CHEMICAL PHYSICS | 2012年 / 136卷 / 17期
关键词
IRREVERSIBLE-PROCESSES; STATISTICAL-MECHANICS; RECIPROCAL RELATIONS; EQUILIBRIUM; DYNAMICS; LIQUIDS;
D O I
10.1063/1.4704812
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Physical systems with many degrees of freedom can often be understood in terms of transitions between a small number of metastable states. For time-homogeneous systems with short-term memory these transitions are fully characterized by a set of rate constants. We consider the question how to extend such a coarse-grained description to non-stationary systems and to systems with finite memory. We identify the physical regimes in which time-dependent rates are meaningful, and state microscopic expressions that can be used to measure both externally time-dependent and history-dependent rates in microscopic simulations. Our description can be used to generalize Markov state models to time-dependent Markovian or non-Markovian systems. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4704812]
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页数:15
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