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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.
2024--Mendelev-M-I--Ni-Ti
Citation: M.I. Mendelev (2024), "to be published".
Notes: This Ni-Ti potential is designed to simulate the solidification of the Ni50Ti50 alloy. It also reasonably well reproduces the thermodynamics of the austenite-martensite transformation.
Date Created: October 5, 2010 | Last updated: April 09, 2024