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: G. Plummer, J.P. Tavenner, M.I. Mendelev, Z. Wu, and J.W. Lawson (2024), "to be published".
Notes: This potential was developed to simulate the solidification of the Ni rich Ni-O alloys, oxidation of Ni and the interaction between dislocation and NiO precipitates in fcc Ni.
See Computed Properties Notes: These files were provided by Mikhail Mendelev on October 22, 2024. Note that as of this post, coul/ctip is in the process of being added to LAMMPS and therefore is not yet available in the most recent stable release. If you would like to use this potential, contact Gabriel Plummer (gabriel.w.plummer@nasa.gov) for details on how to use it with LAMMPS. File(s):