LAMMPS Tersoff-ZBL potential for Fe developed by J. Byggmästar and Granberg (2020) v000

Jesper Byggmästar
This potential was developed mainly for defect clusters and radiation damage. See also the published paper and its supplementary pdf (open access) for benchmark results. Paper abstract: Density functional theory predicts clusters in the form of the C15 Laves phase to be the most stable cluster of self-interstitials in iron at small sizes. The C15 clusters can form as a result of irradiation, but their prevalence and survival in harsh irradiation conditions have not been...
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