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 (2022), "to be published".
Notes: As noted by Mikhail Mendelev, "This potential was specially developed to simulate the dislocation migration in γ (Al solution in Ni) and γ' (Ni3Al L12) phases. The potential provides the correct description of the thermodynamics of these phases including melting temperatures and solubility regions. The potential also correctly reproduces the elastic properties and stacking fault energies of the γ' phase."