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Long-range Finnis-Sinclair potentials for f.c.c. metallic alloys

 

作者: H. Rafii-Tabar,   A.P. Sulton,  

 

期刊: Philosophical Magazine Letters  (Taylor Available online 1991)
卷期: Volume 63, issue 4  

页码: 217-224

 

ISSN:0950-0839

 

年代: 1991

 

DOI:10.1080/09500839108205994

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

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.

 

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