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.
Iron-Vanadium (Fe-V) SystemM.I. Mendelev, S. Han, W. Son, G.J. Ackland and D.J. Srolovitz, "Simulation of the interaction between Fe impurities and point defects in V," Phys. Rev. B 76, 214105 (2007). DOI: 10.1103/PhysRevB.76.214105
Notes: These files were provided by Mikhail Mendelev.
Format: EAM/FS setfl
New! Computed Properties: 2007--Mendelev-M-I--V-Fe
Date created: October 5, 2010 | Last updated: February 20, 2018