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Second-nearest-neighbor modified embedded-atom method interatomic potential for Cu-M (M = Co, Mo) binary systems

Title
Second-nearest-neighbor modified embedded-atom method interatomic potential for Cu-M (M = Co, Mo) binary systems
Authors
왕재민오상호LEE, BYEONG JOO
Date Issued
Jun-2020
Publisher
ELSEVIER SCIENCE BV
Abstract
Second-nearest-neighbor modified embedded-atom method (2NN MEAM) interatomic potentials for Cu-M (M = Co, Mo) binary systems have been developed. The Cu-M potentials can be extended to Pt-Cu-M ternary 2NN MEAM potentials being combined with already existing Pt-M potentials and can be utilized for atomistic simulations to design inexpensive and efficient platinum alloy catalysts. The potentials reproduce fundamental material properties such as structural and thermodynamic properties of compound and solution phases in reasonable agreement with experimental data. Herein, the validity of the developed potentials for atomistic simulation is ascertained.
URI
http://oasis.postech.ac.kr/handle/2014.oak/101877
ISSN
0927-0256
Article Type
Article
Citation
COMPUTATIONAL MATERIALS SCIENCE, vol. 178, page. 109627, 2020-06
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 LEE, BYEONG JOO
Dept of Materials Science & Enginrg
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