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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.
2019--Mendelev-M-I--Fe-Ni-Cr
Citation: M.I. Mendelev (2019), "to be published".
Notes: This potential was designed to simulate stainless steels. All pure components potentials here are original and are not the same as previously published potentials from Mendelev.
See Computed PropertiesNotes: This file was provided by Mikhail Mendelev (Ames Laboratory) on 8 October 2019. Update 19 July 2021: The contact email in the file's header has been changed.
File(s):
See Computed PropertiesNotes: Listing found at https://openkim.org. This KIM potential is based on the files from 2019--Mendelev-M-I--Fe-Ni-Cr--LAMMPS--ipr1.
Link(s):
Date Created: October 5, 2010 | Last updated: June 09, 2022