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2020--Wang-J-Oh-S-H-Lee-B-J--Cu-Co

Citation: J. Wang, S.-H. Oh, and B.-J. Lee (2020), "Second-nearest-neighbor modified embedded-atom method interatomic potential for Cu-M (M = Co, Mo) binary systems", Computational Materials Science, 178, 109627. DOI: 10.1016/j.commatsci.2020.109627.
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.

LAMMPS pair_style meam (2020--Wang-J--Cu-Co--LAMMPS--ipr1)
See Computed Properties
Notes: These potential files were obtained from http://cmse.postech.ac.kr/home_2nnmeam, accessed Nov 9, 2020.
File(s):
Date Created: October 5, 2010 | Last updated: July 09, 2021