t-mixing: from fluctuation relations to response and irreversibility in MD

被引:2
作者
Rondoni, L. [1 ,3 ,4 ]
Verderosa, A. [2 ,4 ]
机构
[1] Politecn Torino, Dipartimento Sci Matemat, Turin, Italy
[2] Politecn Torino, Dipartimento Sci Matemat, Appl Math, Turin, Italy
[3] Politecn Torino, Graphene PoliTO Lab, Turin, Italy
[4] Ist Nazl Fis Nucl, Sez Torino, Turin, Italy
关键词
Phase space; probability; correlations; ergodicity; dissipation; NONEQUILIBRIUM STATISTICAL-MECHANICS; TIME-DEPENDENT PHENOMENA; MARKOV RANDOM-PROCESSES; STEADY-STATE; BOLTZMANN ENTROPY; BROWNIAN-MOTION; EQUILIBRIUM; DISSIPATION; DYNAMICS; SYSTEMS;
D O I
10.1080/08927022.2015.1121542
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
This paper provides an introduction to the theory of steady-state fluctuation relations for molecular dynamics systems, that led to a general theory of response. The main ingredient of this theory is a new dynamical condition now known as t-mixing. We use such a condition to identify necessary and sufficient conditions for the relaxation to a steady state (whether equilibrium or not) of an ensemble of identical systems, as well as of a single system. This allows us to address the problem of the irreversibility of time reversal invariant (conservative as well as dissipative) particle systems.
引用
收藏
页码:1135 / 1148
页数:14
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