From molecular dynamics to dissipative particle dynamics

被引：127

作者：

Flekkoy, EG

Coveney, PV

机构：

[1] Univ Oslo, Dept Phys, N-0316 Oslo, Norway

[2] Univ London Queen Mary & Westfield Coll, Ctr Computat Sci, London E1 4NS, England

来源：

PHYSICAL REVIEW LETTERS | 1999年 / 83卷 / 09期

关键词：

D O I：

10.1103/PhysRevLett.83.1775

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A procedure is introduced for deriving a coarse-grained dissipative particle dynamics from molecular dynamics. The rules of the dissipative particle dynamics are derived from the underlying molecular interactions, and a Langevin equation is obtained that describes the forces experienced by the dissipative particles and specifies the associated canonical Gibbs distribution for the system.

引用

页码：1775 / 1778

页数：4

共 20 条

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