Nonequilibrium Monte Carlo simulation for a driven Brownian particle

被引:0
|
作者
Attard, Phil [1 ]
机构
[1] Univ Sydney, Sch Chem F11, Sydney, NSW 2006, Australia
关键词
Brownian motion; molecular dynamics method; Monte Carlo methods; statistical analysis; stochastic processes;
D O I
10.1103/PhysRevE.80.041126
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
The author's nonequilibrium probability distribution is tested for time-varying mechanical work. Nonequilibrium Monte Carlo (NEMC) is used to simulate a Brownian particle in a soft-sphere solvent, driven by a moving external potential. Results are obtained for the phase lag and amplitude for drive frequencies ranging from the steady state to the transient regime. This now extends the application of the NEMC algorithm to a time-varying nonequilibrium system. The results are shown to agree with those obtained by nonequilibrium stochastic molecular dynamics and by Noseacute-Hoover molecular dynamics, from which it is concluded that the nonequilibrium probability distribution correctly describes time-varying mechanical work and that it provides a fundamental basis for nonequilibrium statistical mechanics.
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页数:7
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