{ "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Al.html#Al-Sm)" "contributor-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "description" "Finnis-Sinclair potential for the Al-Sm system developed by Mendelev et al. (2015) in EAM format. The potential was developed to study the vitrification of Al rich Al-Sm alloys. \r\n\r\nThis is a semi-empirical potential for the Al90Sm10 alloy. The potential provides satisfactory reproduction of pure Al properties, the formation energies of a set of Al\u2013Sm crystal phases with Sm content about 10%, and the structure of the liquid Al90Sm10 alloy. During molecular dynamics simulation in which the liquid alloy is cooled at a rate of 1010\u2009K\u2009s\u22121, the developed potential produces a glass structure with lower ab initio energy than that produced by ab initio molecular dynamics (AIMD) itself using a typical AIMD cooling rate of 8centerdot1013\u2009K\u2009s\u22121. Based on these facts the developed potential should be suitable for simulations of phase transformations in the Al90Sm10 alloy." "developer" [ "2eb87106-ce43-4e1b-99e7-7a98e7555f49" "59b024d5-6a62-4e35-bbcc-ce963fdae7c6" "d8d3b72e-64ec-4a2a-b385-e8854294249a" "4c441f6a-63b8-45c1-a5e7-1fedea4651e0" "f3251c9e-5721-45a2-a0fc-1e48977d95e2" "cacf07e3-17ff-4374-9109-4340ba3d9d07" "2f1a5a31-41fe-4067-9fff-0c2a77531659" "18284431-0bd8-477f-b391-eadc15ec7053" ] "doi" "10.25950/2ef556c6" "domain" "openkim.org" "extended-id" "EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_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" "Mendelev, M I and Zhang, F and Ye, Z and Sun, Y and Nguyen, M C and Wilson, S R and Wang, C Z and Ho, K M" "bib" "http://dx.doi.org/10.1088/0965-0393/23/4/045013" "doi" "10.1088/0965-0393/23/4/045013" "journal" "Modelling and Simulation in Materials Science and Engineering" "number" "4" "pages" "045013" "recordkey" "MO_338600200739_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Development of interatomic potentials appropriate for simulation of devitrification of Al 90 Sm 10 alloy" "volume" "23" "year" "2015" } ] "species" [ "Al" "Sm" ] "title" "Finnis-Sinclair potential (LAMMPS cubic hermite tabulation) for the Al-Sm system developed by Mendelev et al. (2015) v000" }