Constructing EAM potential files for LAMMPS

2015-07-20T07:12:41Z (GMT) by Aulia Tegar Wicaksono
<p>This document presents the anatomy of an EAM potential file for modelling the behaviour of binary iron-helium (Fe-He) system via molecular dynamics (MD) simulation using LAMMPS. The potentials discussed in this document are the Ackland-04, the Aziz-95 and the Gao-11 potentials, describing the Fe-Fe, He-He, and Fe-He interaction, respectively. While the emphasis here is placed upon these potentials, this document can still be used as a guide for constructing a LAMMPS-compatible potential file for EAM binary systems from the literature.</p>