{ "content-origin" "NIST IPRP (http://www.ctcms.nist.gov/potentials/Au.html)" "contributor-id" "c3e36b7f-82b0-46cb-9af3-94f80655331e" "description" "Finnis-Sinclair potential for Au developed by Ackland et al. (1987). The total energy is regarded as consisting of a pair-potential part and a many body cohesive part. Both these parts are functions of the atomic separations only and are represented by cubic splines, fitted to various bulk properties. Using this potential, point defects, surfaces (including the surface reconstructions) and grain boundaries have been studied and satisfactory agreement with available experimental data has been found." "developer" [ "c3e36b7f-82b0-46cb-9af3-94f80655331e" "752f5d1f-4b9f-4955-9733-b1bc0164fc14" "c1e33953-aaba-4843-a770-b4b23bf344b1" "0ce06029-a063-41f7-93e6-1910e50186d0" ] "doi" "10.25950/4676a56a" "domain" "openkim.org" "extended-id" "EAM_Dynamo_AcklandTichyVitek_1987_Au__MO_104891429740_005" "kim-api-version" "2.0" "maintainer-id" "c3e36b7f-82b0-46cb-9af3-94f80655331e" "model-driver" "EAM_Dynamo__MD_120291908751_005" "potential-type" "eam" "publication-year" "2018" "source-citations" [ { "author" "G. J. Ackland and G. Tichy and V. Vitek and M. W. Finnis" "doi" "10.1080/01418618708204485" "journal" "Philosophical Magazine A" "number" "6" "pages" "735--756" "recordkey" "MO_104891429740_005a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Simple {N}-body potentials for the noble metals and nickel" "volume" "56" "year" "1987" } { "author" "Ackland, G. J. and Vitek, V." "doi" "10.1103/PhysRevB.41.10324" "issue" "15" "journal" "Physical Review B" "month" "May" "pages" "10324--10333" "publisher" "American Physical Society" "recordkey" "MO_104891429740_005b" "recordtype" "article" "title" "Many-body potentials and atomic-scale relaxations in noble-metal alloys" "volume" "41" "year" "1990" } { "author" "W.E. Wallace and G.J. Ackland" "doi" "10.1016/0039-6028(92)90642-J" "issn" "0039-6028" "journal" "Surface Science" "number" "1" "pages" "L685--L690" "recordkey" "MO_104891429740_005c" "recordtype" "article" "title" "Calculated energies and relaxations of the low-index planes of ordered {Cu3Au}" "volume" "275" "year" "1992" } ] "species" [ "Au" ] "title" "Finnis-Sinclair potential (LAMMPS cubic hermite tabulation) for Au due to Ackland et al. (1987) v005" }