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.
Nickel-Titanium (Ni-Ti) Alloys, Compounds, and MixturesKo, W.-S., Grabowski, B., and Neugebauer, J. (2015). Development and application of a Ni-Ti interatomic potential with high predictive accuracy of the martensitic phase transition. Physical Review B, 92(13). DOI: 10.1103/physrevb.92.134107
Notes: These files were sent by Won-Seok Ko (University of Ulsan, South Korea) on 24 July 2016 and posted with his permission.
Format: MEAM parameters
Date created: October 5, 2010 | Last updated: August 23, 2017