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-Niobium (Ni-Nb) SystemY. Zhang, R. Ashcraft, M.I. Mendelev, C.Z. Wang, and K.F. Kelton, Experimental and molecular dynamics simulation study of structure of liquid and amorphous Ni62Nb38 alloy, J. Chem. Phys. 145, 204505 (2016) DOI: 10.1063/1.4968212
Notes: These files were sent by M.I. Mendelev (Ames Laboratory) on 13 December 2016 and posted with his permission.
Format: EAM/FS setfl
Date created: October 5, 2010 | Last updated: November 13, 2017