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.
Gold-Silicon (Au-Si) Alloys, Compounds, and MixturesStarikov, S. V., Lopanitsyna, N. Y., Smirnova, D. E., & Makarov, S. V. (2018). Atomistic simulation of Si-Au melt crystallization with novel interatomic potential. Computational Materials Science, 142, 303–311. DOI: 10.1016/j.commatsci.2017.09.054
Notes: These files were sent by Dr. Sergey Starikov (Joint Institute for High Temperatures, Russia) on 6 November 2017 and posted with his permission.
Format: ADP Table
Date created: October 5, 2010 | Last updated: May 17, 2018