× Warning! Note that elemental potentials taken from alloy descriptions may not work well for the pure species. This is particularly true if the elements were fit for compounds instead of being optimized separately. As with all interatomic potentials, please check to make sure that the performance is adequate for your problem.

× Updated! Potentials that share interactions are now listed as related models.

2017--Choi-W-M-Kim-Y-Seol-D-Lee-B-J--Co-Mn

Citation: W.-M. Choi, Y. Kim, D. Seol, and B.-J. Lee (2017), "Modified embedded-atom method interatomic potentials for the Co-Cr, Co-Fe, Co-Mn, Cr-Mn and Mn-Ni binary systems", Computational Materials Science, 130, 121-129. DOI: 10.1016/j.commatsci.2017.01.002.

Abstract: Interatomic potentials for the Co-Cr, Co-Fe, Co-Mn, Cr-Mn and Mn-Ni binary systems have been developed in the framework of the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The potentials describe various fundamental alloy behaviors (structural, elastic and thermodynamic behavior of solution and compound phases), mostly in reasonable agreements with experimental data or first-principles calculations. The potentials can be utilized to complete the interatomic potential for the CoCrFeMnNi alloy and to investigate the atomic scale physical metallurgy of high entropy alloys.

LAMMPS pair_style meam (2017--Choi-W-M--Co-Mn--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):

CoMn.meam
library.meam