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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