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Citation: S.-H. Oh, D. Seol, and B.-J. Lee (2020), "Second nearest-neighbor modified embedded-atom method interatomic potentials for the Co-M (M = Ti, V) binary systems", Calphad, 70, 101791. DOI: 10.1016/j.calphad.2020.101791.
Abstract: Interatomic potentials for the Co–Ti and Co–V binary alloy systems have been developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM) interatomic potential formalism. Newly developed potentials reproduce various structural and thermodynamic properties of the binary alloys in reasonable agreement with experiments, first-principles calculations, and CALPHAD-type thermodynamic assessments. It is emphasized that these potentials can serve as groundwork for atomistic studies on the design of highly efficient trimetallic noble metal catalysts.

LAMMPS pair_style meam (2020--Oh-S-H--Co-Ti--LAMMPS--ipr1)
See Computed Properties
Notes: These potential files were obtained from http://cmse.postech.ac.kr/home_2nnmeam, accessed Nov 9, 2020.
Date Created: October 5, 2010 | Last updated: December 14, 2023