Warning! 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.
Citation: X.-Y. Liu, F. Ercolessi, and J.B. Adams (2004), "Aluminium interatomic potential from density functional theory calculations with improved stacking fault energy", Modelling and Simulation in Materials Science and Engineering, 12(4), 665-670. DOI: 10.1088/0965-0393/12/4/007.
Abstract: A new Al potential with improved stacking fault energy is constructed using the force-matching method. The potential is fitted to an ab initio forces database and various experimental data. By using a slightly larger cut-off, we found that the new potential gives the relaxed stacking fault energy in the experimental range without changing the excellent thermal and surface properties of the original force-matching Al potential given by Ercolessi and Adams (1994 Europhys. Lett. 26 583).
See Computed Properties Notes: Al-LEA.eam.alloy is a version of the same potential which has been formatted for use in LAMMPS ("D" was replaced by "e", "FCC" by "fcc", and "Al" was added on line 3). File(s):
See Computed Properties Notes: Listing found at https://openkim.org. This KIM potential is based on the files from 2004--Liu-X-Y--Al--LAMMPS--ipr1. Link(s):