× 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.

2022--Mendelev-M-I--Ni-Al

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."

LAMMPS pair_style eam/fs (2022--Mendelev-M-I--Ni-Al--LAMMPS--ipr1)

See Computed Properties
Notes: This file was provided by Mikhail Mendelev on September 21, 2022.
File(s):

Ni-Al.eam.fs