{ "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Ni.html)" "content-other-locations" "http://homepages.ed.ac.uk/graeme/moldy/moldy.html" "contributor-id" "c3e36b7f-82b0-46cb-9af3-94f80655331e" "description" "Finnis-Sinclair potential for Ni 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.\n\nAn alternate version is available with added close-range repulsion for radiation studies; see https://openkim.org/cite/MO_769632475533_000" "developer" [ "c3e36b7f-82b0-46cb-9af3-94f80655331e" "752f5d1f-4b9f-4955-9733-b1bc0164fc14" "c1e33953-aaba-4843-a770-b4b23bf344b1" "0ce06029-a063-41f7-93e6-1910e50186d0" ] "disclaimer" "This potential does not include any treatment of antiferromagnetism, although this doesn't seem to affect performance." "doi" "10.25950/7666385f" "domain" "openkim.org" "extended-id" "EAM_Dynamo_AcklandTichyVitek_1987_Ni__MO_977363131043_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_977363131043_005a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Simple {N}-body potentials for the noble metals and nickel" "volume" "56" "year" "1987" } ] "species" [ "Ni" ] "title" "Finnis-Sinclair potential (LAMMPS cubic hermite tabulation) for Ni developed by Ackland et al. (1987) v005" }