Calculation update! The crystal structure tables have been updated as they now use the current Materials Project (mp-) reference structures, and calculations that previously threw errors were re-ran after a minor bug fix.
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.
Citation: M.I. Mendelev (2015), "to be published".
Notes: This potential is a modification of the <a href="./Download/Mg-Mendelev-2015/Mg1.eam.fs">Mg1.eam.fs</a> potential. This potential was developed to study the effects of the latent heat and the liquid structure on the SLI free energy.
LAMMPS pair_style eam/fs
Notes: These files were sent by M.I. Mendelev (Ames Laboratory) on 7 Dec. 2015 and posted with his permission. File(s):