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-Manganese-Palladium (Al-Mn-Pd) CompoundsD. Schopf, P. Brommer, B. Frigan, and H.-R. Trebin, "Embedded atom method potentials for Al-Pd-Mn phases," Phys. Rev. B 85, 054201 (2012). DOI: 10.1103/PhysRevB.85.054201
Notes: This version is compatible with LAMMPS. UPDATE 11 June 2012: The version posted on 26 April 2012 had an extra line in the header and did not work with LAMMPS. This was brought to our attention by Daniel Schopf and the correct version has been posted. Original note: This file was provided by Daniel Schopf (Stuttgart University) and posted with his permission on 26 April 2012.
Format: EAM/alloy setfl
Notes: These files were also provided by Daniel Schopf.
Format: IMD EAM table
New! Computed Properties: 2012--Schopf-D--Al-Mn-Pd
Date created: October 5, 2010 | Last updated: April 9, 2018