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-Lead (Al-Pb) Alloys, Compounds, and MixturesA. Landa, P. Wynblatt, D.J. Siegel, J.B. Adams, O.N. Mryasov and X.Y. Liu, "Development of glue-type potentials for the Al-Pb system: Phase diagram calculation," Acta Mater. 48, 1753-1761 (2000). DOI: 10.1016/S1359-6454(00)00002-1
Notes: alpb.set was sent by Alexander Landa (Lawrence Livermore National Laboratory) on 25 Mar. 2010 and posted with his permission and that of Don Siegel (University of Michigan).
Notes: alpb-setfl.eam.alloy is a version of the same potential which has been formatted for use in LAMMPS ("D" was replaced by "E" and "Al Pb" was added on line 4). It successfully ran with the 20Feb10 version of LAMMPS.
Format: EAM/alloy setfl
New! Computed Properties: 2000--Landa-A--Al-Pb
Date created: October 5, 2010 | Last updated: May 17, 2018