Stochastic Dynamics in Irreversible Nonequilibrium Environments. 1. The Fluctuation−Dissipation Relation

Stochastic Dynamics in Irreversible Nonequilibrium Environments. 1. The Fluctuation−Dissipation Relation
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不可逆非平衡环境中的随机动力学 1. 涨落-耗散关系。

DOI:
10.1021/jp983625g
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发表时间:
1999
影响因子:
3.3
通讯作者:
F. Somer
F. Somer
中科院分区:
化学3区
文献类型:
--
作者:
R. Hernandez;F. Somer

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广义朗之万方程(随机动力学)的推广,以模拟化学反应发生在不断变化的环境。表示溶剂响应的摩擦核被赋予非稳态形式,相对于该非稳态形式,瞬时随机溶剂力满足波动耗散关系的自然推广。理论上的考虑,以及数值模拟,表明这种结构的动力学满足均分定理超出其平衡极限。
A generalization of the generalized Langevin equation (stochastic dynamics) is introduced in order to model chemical reactions which take place in changing environments. The friction kernel representing the solvent response is given a non-stationary form with respect to which the instantaneous random solvent force satisfies a natural generalization of the fluctuation−dissipation relation. Theoretical considerations, as well as numerical simulations, show that the dynamics of this construction satisfy the equipartition theorem beyond its equilibrium limits.