LONG-RANGE FINNIS-SINCLAIR POTENTIALS FOR FCC METALLIC ALLOYS

被引：257

作者：

RAFIITABAR, H

SUTTON, AP

机构：

[1] Department of Materials, Oxford University, Oxford

来源：

PHILOSOPHICAL MAGAZINE LETTERS | 1991年 / 63卷 / 04期

关键词：

D O I：

10.1080/09500839108205994

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Many-body, long-range potentials of a Finnis-Sinclair type are formulated for the atomistic description of binary f.c.c. metallic alloys. These potentials are generalizations of the scheme constructed by Sutton and Chen (1990), for the atomistic modelling of f.c.c. elemental metals. The parameters for the alloy potentials are obtained directly from the parameters for the elemental metals, without any further adjustable fitting. Lattice parameters, elastic constants and enthalpy of formation of 45 binary, random f.c.c. alloys are calculated.

引用

页码：217 / 224

页数：8

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