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.
Aluminum-Samarium (Al-Sm) Alloys, Compounds, and MixturesM.I. Mendelev, F. Zhang, Z. Ye, Y. Sun, M.C. Nguyen, S.R. Wilson, C.Z. Wang and K.M. Ho, Development of interatomic potentials appropriate for simulation of devitrification of Al90Sm10 alloy, MSMSE 23, 045013 (2015). DOI: 10.1088/0965-0393/23/4/045013
Notes: This file was provided by Mikhail Mendelev (Ames Laboratory) and posted with his permission on 24 Oct. 2014. He noted that the potential "was developed to simulate the solidification/devitrification in the Al90Sm10 alloy." The reference was updated on 13 June 2015.
Format: EAM/FS setfl
New! Computed Properties: 2015--Mendelev-M-I--Al-Sm
Date created: October 5, 2010 | Last updated: February 20, 2018