Dissipative particle dynamics with energy conservation

被引:170
作者
Avalos, JB
Mackie, AD
机构
[1] Dept. d'Enginyeria Química, ETSEQ, Universitat Rovira i Virgili, 43006 Tarragona, Carretera de Salou s/n
来源
EUROPHYSICS LETTERS | 1997年 / 40卷 / 02期
关键词
D O I
10.1209/epl/i1997-00436-6
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The stochastic differential equations for a model of dissipative particle dynamics with both total energy and total momentum conservation in the particle-particle interactions are presented. The corresponding Fokker-Planck equation for the evolution of the probability distribution for the system is deduced together with the corresponding fluctuation-dissipation theorems ensuring that the ab initio chosen equilibrium probability distribution for the relevant variables is a stationary solution. When energy conservation is included, the system can sustain temperature gradients and heat flow can be modeled.
引用
收藏
页码:141 / 146
页数:6
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