× 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.

2015--Kim-Y-K-Jung-W-S-Lee-B-J--Ni-Co

Citation: Y.-K. Kim, W.-S. Jung, and B.-J. Lee (2015), "Modified embedded-atom method interatomic potentials for the Ni-Co binary and the Ni-Al-Co ternary systems", Modelling and Simulation in Materials Science and Engineering, 23(5), 055004. DOI: 10.1088/0965-0393/23/5/055004.

Abstract: Interatomic potentials for the Ni-Co binary and Ni-Al-Co ternary systems have been developed on the basis of the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The potentials describe structural, thermodynamic, deformation and defect properties of solid solution phases or compound phases in reasonable agreements with experiments or first-principles calculations. The results demonstrate the transferability of the potentials and their applicability to large-scale atomistic simulations to investigate the effect of an alloying element, cobalt, on various microstructural factors related to mechanical properties of Ni-based superalloys on an atomic scale.

LAMMPS pair_style meam (2015--Kim-Y-K--Ni-Co--LAMMPS--ipr1)

See Computed Properties
Notes: These files are based on files obtained from http://cmse.postech.ac.kr/home_2nnmeam.
File(s):

library.meam
NiCo.meam