A modified embedded atom method interatomic potential for the Cu-Ni system

Authors
Lee, BJShim, JH
Issue Date
2004-06
Publisher
PERGAMON-ELSEVIER SCIENCE LTD
Citation
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, v.28, no.2, pp.125 - 132
Abstract
A semi-empirical interatomic potential, the MEAM, has been applied to obtain an interatomic potential for the Cu-Ni system, based on the previously developed potentials for pure Cu and Ni. The procedure for the determination of potential parameter values is presented. It is-shown that the potential describes the basic thermodynamic properties and alloy behaviors of the fcc solid solution (enthalpy of mixing, miscibility gap and lattice parameter) in good agreement with CALPHAD calculation and experimental information. It is also shown how the CALPHAD calculation (enthalpy of mixing) can be used for optimization of the interatomic potential parameters. (C) 2004 Elsevier Ltd. All rights reserved.
Keywords
COPPER; METALS; NICKEL; ALLOYS; ENERGIES; PB; COPPER; METALS; NICKEL; ALLOYS; ENERGIES; PB; semi-empirical interatomic potential; modified embedded atom method; Cu-Ni; molecular statics; Monte Carlo simulation
ISSN
0364-5916
URI
https://pubs.kist.re.kr/handle/201004/137569
DOI
10.1016/j.calphad.2004.06.001
Appears in Collections:
KIST Article > 2004
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