ELECTRONIC-STRUCTURE, ALLOY PHASE-STABILITY AND PHASE-DIAGRAMS

被引：11

作者：

GONIS, A ^{[1
]}

SLUITER, M ^{[1
]}

TURCHI, PEA ^{[1
]}

STOCKS, GM ^{[1
]}

NICHOLSON, DM ^{[1
]}

机构：

[1] OAK RIDGE NATL LAB,MET & CERAM,OAK RIDGE,TN 37831

来源：

JOURNAL OF THE LESS-COMMON METALS | 1991年 / 168卷 / 01期

关键词：

D O I：

10.1016/0022-5088(91)90040-B

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 review the relevance of electronic structure calculations to the determination of alloy phase stability and alloy phase diagrams. The Connolly-Williams method, the generalized perturbation method, the embedded cluster method and the method of concentration waves are presented and their main features are discussed and compared. The results of calculations of effective cluster interactions in substitutionally disordered alloys and of phase diagrams for specific alloy systems, e.g. PdRh, PdV and AlLi, are shown and work currently in progress is briefly described.

引用

页码：127 / 144

页数：18

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