× 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.

2007--Lee-B-J--Si

Citation: B.-J. Lee (2007), "A modified embedded atom method interatomic potential for silicon", Calphad, 31(1), 95-104. DOI: 10.1016/j.calphad.2006.10.002.

Abstract: A semi-empirical interatomic potential for silicon has been developed, based on the modified embedded atom method formalism. This potential describes elastic, structural, point defect, surface, thermal (except melting point), and cluster properties as satisfactorily as any other empirical potential ever developed. When compared to the previously developed MEAM Si potential [M.I. Baskes, J.S. Nelson, A.F. Wright, Phys. Rev. B 40 (1989) 6085], for example, improvements were made in the description of surface relaxations, thermal expansion, and amorphous structure. This potential has the same formalism as already developed MEAM potentials for bcc, fcc, and hcp elements, and can be easily extended to describe various metal–silicon multi-component systems.

LAMMPS pair_style meam (2007--Lee-B-J--Si--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):

library.meam
Si.meam

OpenKIM (MO_145522277939)

See Computed Properties
Notes: Listing found at https://openkim.org.
Link(s):

KIM page MEAM_2NN_Fe_to_Ga__MO_145522277939_001