ISOTHERMAL ELASTIC CONSTANTS FOR ARGON . THEORY AND MONTE CARLO CALCULATIONS

被引：204

作者：

SQUIRE, DR

HOLT, AC

HOOVER, WG

机构：

[1] Lawrence Radiation Laboratory, University of California, Livermore

来源：

PHYSICA | 1969年 / 42卷 / 03期

关键词：

D O I：

10.1016/0031-8914(69)90031-7

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Exact expressions for the isothermal elastic constants, CT11, CT12, and CT44, are derived for cubic crystals whose molecules interact with pairwise-additive central forces. The exact expressions contain fluctuation terms, omitted by Born, which make important contributions at nonzero temperatures. We use the Monte Carlo technique to evaluated CT11, CT12, and CT44 for argon at 40, 60 and 80 K. The isothermal compressibility βT {approaches the limit} 3/(CT11 + 2CT12), calculated from the numerical results, is in good agreement with experiment at all three temperatures. © 1969.

引用

页码：388 / &

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