{ "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Mg.html)" "contributor-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "description" "Finnis-Sinclair potential for Mg developed by Wilson and Mendelev (2016) in EAM format. According to the NIST IPRP, this potential is a variant of an older potential by Sun, Mendelev, Becker et al. (2006) (available in OpenKIM, see https://openkim.org/cite/MO_988004265451_000), except that the free surface energy was increased. (It was too small in the original potential which led to spontaneous cavitation in molecular dynamics simulations of the liquid phase.)" "developer" [ "4c441f6a-63b8-45c1-a5e7-1fedea4651e0" "f3251c9e-5721-45a2-a0fc-1e48977d95e2" ] "doi" "10.25950/37d2e66a" "domain" "openkim.org" "extended-id" "EAM_Dynamo_WilsonMendelev_2016_Mg__MO_574574915905_000" "kim-api-version" "2.0" "maintainer-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "model-driver" "EAM_Dynamo__MD_120291908751_005" "potential-type" "eam" "publication-year" "2018" "source-citations" [ { "author" "Wilson, S. R. and Mendelev, M. I." "doi" "10.1063/1.4946032" "journal" "The Journal of Chemical Physics" "number" "14" "pages" "144707" "recordkey" "MO_574574915905_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "A unified relation for the solid-liquid interface free energy of pure FCC, BCC, and HCP metals" "volume" "144" "year" "2016" } { "author" "Sun, D. Y. and Mendelev, M. I. and Becker, C. A. and Kudin, K. and Haxhimali, Tomorr and Asta, M. and Hoyt, J. J. and Karma, A. and Srolovitz, D. J." "doi" "10.1103/PhysRevB.73.024116" "issue" "2" "journal" "Phys. Rev. B" "pages" "024116" "recordkey" "MO_574574915905_000b" "recordtype" "article" "title" "Crystal-melt interfacial free energies in hcp metals: A molecular dynamics study of Mg" "volume" "73" "year" "2006" } ] "species" [ "Mg" ] "title" "Finnis-Sinclair potential (LAMMPS cubic hermite tabulation) for Mg developed by Wilson and Mendelev (2016) v000" }