TY - JOUR
T1 - Monte Carlo simulation of Cu-Au alloys on FCC lattice with a renormalized potential
AU - Ichikawa, Hiroshi
AU - Sahara, Ryoji
AU - Mizuseki, Hiroshi
AU - Ohno, Kaoru
AU - Kawazoe, Yoshiyuki
N1 - Copyright:
Copyright 2017 Elsevier B.V., All rights reserved.
PY - 1999
Y1 - 1999
N2 - Monte Carlo simulation of an FCC lattice-gas model is carried out to study order-disorder phase transitions. To study an actual Cu-Au alloys as quantitatively as possible, a Finnis-Sinclair-type potential, which has been used widely for molecular dynamics (MD) simulations, is mapped onto the FCC model by using the potential renormalization technique proposed by one of us. Using this renormalized potential, we find that the linear expansion coefficient of Cu and Au crystals and the transition temperatures are greatly improved when compared with the case of using the MD potential directly on the lattice.
AB - Monte Carlo simulation of an FCC lattice-gas model is carried out to study order-disorder phase transitions. To study an actual Cu-Au alloys as quantitatively as possible, a Finnis-Sinclair-type potential, which has been used widely for molecular dynamics (MD) simulations, is mapped onto the FCC model by using the potential renormalization technique proposed by one of us. Using this renormalized potential, we find that the linear expansion coefficient of Cu and Au crystals and the transition temperatures are greatly improved when compared with the case of using the MD potential directly on the lattice.
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U2 - 10.2320/matertrans1989.40.911
DO - 10.2320/matertrans1989.40.911
M3 - Article
AN - SCOPUS:0033316913
VL - 40
SP - 911
EP - 914
JO - Materials Transactions
JF - Materials Transactions
SN - 1345-9678
IS - 9
ER -