1ST-PRINCIPLES STUDY OF PHASE-STABILITY IN CU-ZN SUBSTITUTIONAL ALLOYS

被引：92

作者：

TURCHI, PEA

SLUITER, M

PINSKI, FJ

JOHNSON, DD

NICHOLSON, DM

STOCKS, GM

STAUNTON, JB

机构：

[1] SANDIA NATL LABS,DIV THEORET,LIVERMORE,CA 94551

[2] UNIV WARWICK,DEPT PHYS,COVENTRY CV4 7AL,W MIDLANDS,ENGLAND

[3] UNIV CINCINNATI,DEPT PHYS,CINCINNATI,OH 45221

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

来源：

PHYSICAL REVIEW LETTERS | 1991年 / 67卷 / 13期

关键词：

D O I：

10.1103/PhysRevLett.67.1779

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A parameter-free approach to phase stability in Cu-Zn substitutional alloys is shown to describe order-disorder phenomena and structural transformations with remarkable accuracy. The method is based on a multiple-scattering description of the electronic structure properties of the random alloy. Configurational order is treated within the generalized perturbation method and the concentration-functional theory. Thermodynamical properties of alpha and beta-brasses are derived from the cluster variation method. This advanced scheme is of general validity and is expected to yield similarly accurate results for other Hume-Rothery alloys.

引用

页码：1779 / 1782

页数：4

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