Cluster Variation Method

被引：0

作者：

Tetsuo Mohri

机构：

[1] Institute for Materials Research,Center for Computational Materials Science

[2] Tohoku University,undefined

来源：

JOM | 2013年 / 65卷

关键词：

Pair Distribution Function; Pair Probability; Cluster Probability; Entropy Formula; Pair Approximation;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

The cluster variation method (CVM) has been widely employed to calculate alloy free energies. The atomistic feature of the CVM is coherent with first-principles electronic structure calculations. In the current manuscript, a detailed derivation of a simple pair approximation is demonstrated, which facilitates the introduction of the concept of atomic correlations. The recent progress of the continuous displacement CVM is briefly introduced.

引用

页码：1510 / 1522

页数：12

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