A semi-empirical atomic potential for the Fe-Cr binary system

Title
A semi-empirical atomic potential for the Fe-Cr binary system
Authors
이병주심재혁박현민
Keywords
Fe-Cr
Issue Date
2001-12
Publisher
CALPHAD, computer coupling of phase diagrams and thermochemistry
Citation
VOL 25, NO 4, 527-534
Abstract
A semi-empirical atomic potential, the second nearest-neighbor MEAM, has been applied to obtain an atomic potential for the Fe-Cr system, baaed on the previously developed potentials for pure Fe and Cr. The procedure for the determination of potential parameter values and the performance of the assessed alloy potential were also presented. It was shown that the potential describes the basic thermodynamic property and alloy behavior in the bee solid solution successfully, as well as many physical properties of pure Fe and Cr. The limit in the applicability of the present potential is also discussed. 0 2002 Published by Elsevier Science Ltd.
URI
http://pubs.kist.re.kr/handle/201004/23691
ISSN
0364-5916
Appears in Collections:
KIST Publication > Article
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