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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.
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Updated! Potentials that share interactions are now listed as related models.
2022--Mendelev-M-I--Ni-Nb
Citation: M.I. Mendelev (2022), "to be published".
Notes: Mikhail Mendelev notes that "this is an improved version of 2016--Zhang-Y-Ashcraft-R-Mendelev-M-I-et-al--Ni-Nb where the crystal phase formation energies were taken into account."
See Computed PropertiesNotes: This file was provided by Mikhail Mendelev on Feb 11, 2021 and posted with his permission.
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Date Created: October 5, 2010 | Last updated: June 09, 2022