A semi-empirical atomic potential for the Fe-Cr binary system
- A semi-empirical atomic potential for the Fe-Cr binary system
- 이병주; 심재혁; 박현민
- Issue Date
- CALPHAD, computer coupling of phase diagrams and thermochemistry
- VOL 25, NO 4, 527-534
- 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.
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