EAM-X Potential Generator

Abstract

SAND2023-06608O The EAM-X Potential Generator code establishes parameters that describe interactions between atoms in pure metals and alloys. The open-source software allows for the understanding of the relationship between general properties of atoms and macroscopic properties of metals. The code reads in values for the parameters of the model and outputs a table that describes the interactions. This code will be published by Acta Materialia along with two papers describing the method. The output of this code is meant for use by the LAMMPS simulation code created by Sandia. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.