A first-principles approach to modeling alloy phase equilibria

被引：79

作者：

Asta, M

Ozolins, V

Woodward, C

机构：

[1] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA

[2] Sandia Natl Labs, Livermore, CA 94550 USA

[3] USAF, Res Lab, Mat & Mfg Directorate, Washington, DC USA

来源：

JOM-JOURNAL OF THE MINERALS METALS & MATERIALS SOCIETY | 2001年 / 53卷 / 09期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1007/s11837-001-0062-3

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

This paper presents a brief overview of recent developments in the application of first-principles calculations to the study of bulk and interfacial thermodynamic properties and phase equilibria in alloys. Among the applications discussed are calculations of. bulk thermodynamic properties, phase boundaries, interfacial free energies, and precipitate morphologies. The article concludes by highlighting some further recent developments that are likely to lead to increasing applications of these modeling techniques.

引用

页码：16 / 19

页数：4

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