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.
Tungsten-Rhenium (W-Re) SystemBonny, G., Bakaev, A., Terentyev, D., & Mastrikov, Y. A. (2017). Interatomic potential to study plastic deformation in tungsten-rhenium alloys. Journal of Applied Physics, 121(16), 165107. DOI: 10.1063/1.4982361
Notes: These files were sent by Dr. Giovanni Bonny (Nuclear Materials Science Institute of SCK-CEN, Belgium) on 2 November 2017 and posted with his permission.
Format: EAM table
W F(ρ): F_W.spt
Re F(ρ): F_Re.spt
W ρ(r): rhoW.spt
Re ρ(r): rhoRe.spt
W-W φ(r): pWW.spt
Re-Re φ(r): pReRe.spt
W-Re φ(r): pWRe.spt
Notes: LAMMPS-compatible file sent by Dr. Giovanni Bonny (Nuclear Materials Science Institute of SCK-CEN, Belgium) on 2 November 2017 and posted with his permission.
Format: EAM/alloy setfl
Date created: October 5, 2010 | Last updated: May 17, 2018