Nose-Hoover nonequilibrium dynamics and statistical mechanics

被引：28
|
作者：
Hoover, Wm. G.
机构：
来源：
MOLECULAR SIMULATION | 2007年 / 33卷 / 1-2期
关键词：
thermostats; molecular dynamics; fractals; irreversibility;
D O I：
10.1080/08927020601059869
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：
At equilibrium Nose's 1984 revolutionary thermostat idea linked Newton's mechanics with Gibbs' statistical mechanics. His work expanded the scope of isothermal and isobaric simulations. Nose-Hoover dynamics has subsequently facilitated the simulation and detailed understanding of nonequilibrium problems. The fractal phase-space distributions, and their close link to the Lyapunov spectrum, provide a novel explanation of irreversibility and a rich field for exploration.
引用
收藏
页码：13 / 19
页数：7
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