Fluctuation formula for elastic constants

被引：71

作者：

Gusev, AA

Zehnder, MM

Suter, UW

机构：

[1] Institut für Polymere, Departement Werkstoffe, Eidgenössische Technische Hochschule

来源：

PHYSICAL REVIEW B | 1996年 / 54卷 / 01期

关键词：

D O I：

10.1103/PhysRevB.54.1

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

In thermal motion, the instantaneous stresses and strains are correlated throughout phase space-a fluctuation equation for the elastic constants is presented here that takes advantage of this fact. Results obtained with a nearest-neighbor Lennard-Jones fee crystal indicate that the equation is considerably more efficient than the Parrinello-Rahman fluctuation formula.

引用

页码：1 / 4

页数：4

共 16 条

[1]

Allen M. P., 1987, Computer Simulation of Liquids

[2]

Born M., 1988, International Series of Monographs on Physics

[3] SOME MONTE-CARLO CALCULATIONS FOR THE LENNARD-JONES SOLID [J].