Calculation update! New properties have been added to the website for dislocation monopole core structures, dynamic relaxes of both crystal and liquid phases, and melting temperatures! Currently, the results for these properties predominately focus on EAM-style potentials, but the results will be updated for other potentials as the associated calculations finish. Feel free to give us feedback on the new properties so we can improve their representations as needed.
Warning! 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.
Citation: A.D. Mistriotis, N. Flytzanis, and S.C. Farantos (1989), "Potential model for silicon clusters", Physical Review B39(2), 1212-1218. DOI: 10.1103/physrevb.39.1212.
Abstract: An interatomic potential for silicon is proposed, which is a significant improvement over the Stillinger-Weber model. This potential is valid for clusters with more than six atoms, where π bonding is not significant because of the large degree of coordination. Guided by ab initio electronic calculations, we introduced four-body interactions to the potential, which were essential to give good agreement with the melting point of the crystal and the geometries and the energies of the ground and low metastable states of silicon clusters.