Point defects in hard-sphere crystals

被引：46

作者：

Pronk, S ^{[1
]}

Frenkel, D ^{[1
]}

机构：

[1] FOM, Inst Atom & Mol Phys, NL-1098 SJ Amsterdam, Netherlands

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2001年 / 105卷 / 28期

关键词：

D O I：

10.1021/jp010779e

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report numerical calculations of the concentration of interstitials in hard-sphere crystals. We find that in a three-dimensional fee hard-sphere crystal at the melting point, the concentration of interstitials is 2.7(4) x 10(-8). This is some 3 orders of magnitude lower than the concentration of vacancies. A simple, analytical estimate yields a value that is in fair agreement with the numerical results.

引用

页码：6722 / 6727

页数：6

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