{ "title" "Finnis-Sinclair potential for Cu developed by Ackland et al. (1987)" "extended-id" "EAM_Dynamo_Ackland_Tichy_Cu__MO_179025990738_004" "model-driver" "EAM_Dynamo__MD_120291908751_004" "species" [ "Cu" ] "creator" "Graeme J. Ackland" "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. An alternate version is available with added close-range repulsion for radiation studies; see https://openkim.org/cite/MO_762798677854_000" "disclaimer" "For initial impact in cascade simulations, a harder core pair potential in Biersack-Ziegler form is added." "source-citations" [{"author" "G. J. Ackland and G. Tichy and V. Vitek and M. W. Finnis" "title" "Simple {N}-body potentials for the noble metals and nickel" "journal" "Philosophical Magazine A" "volume" "56" "number" "6" "pages" "735--756" "year" "1987" "doi" "10.1080/01418618708204485" "recordtype" "article" "recordkey" "MO_179025990738_004a"}] "content-origin" "NIST IPRP (http://www.ctcms.nist.gov/potentials/Cu.html)" "content-other-locations" "http://homepages.ed.ac.uk/graeme/moldy/moldy.html" "contributor-id" "c3e36b7f-82b0-46cb-9af3-94f80655331e" "maintainer-id" "c3e36b7f-82b0-46cb-9af3-94f80655331e" "publication-year" "2018" "kim-api-version" "1.6" "domain" "openkim.org" }