THOUGHT-EXPERIMENTS BY MOLECULAR-DYNAMICS

被引：165

作者：

CICCOTTI, G

JACUCCI, G

MCDONALD, IR

机构：

[1] LIBERA UNIV TRENTO,DIPARTIMENTO MATEMAT & FIS,TRENTO,ITALY

[2] UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND

来源：

JOURNAL OF STATISTICAL PHYSICS | 1979年 / 21卷 / 01期

关键词：

linear response theory; Molecular dynamics; transport properties;

D O I：

10.1007/BF01011477

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A method for studying the dynamical properties of liquids by molecular dynamics simulation is described. Its basis is the measurement of the response to a weak applied field of appropriate character. The explicit form of the mechanical perturbation is worked out in several cases, and details are given of the numerical techniques used in implementing the method. © 1979 Plenum Publishing Corporation.

引用

页码：1 / 22

页数：22

共 20 条

[1] ARGON SHEAR VISCOSITY VIA A LENNARD-JONES POTENTIAL WITH EQUILIBRIUM AND NONEQUILIBRIUM MOLECULAR DYNAMICS [J].