{ "contributor-id" "b645a915-d1fa-4155-a3da-65469f990011" "description" "This Model Driver implements the effective interatomic potential (EIP) based on the Morse functional form of Guthikonda and Elliott (2009). In an EIP the parameters are taken to be temperature-dependent so that the EIP represents the free energy of the system. The potential is shifted in energy so that it takes a value of zero at the cutoff separation. This version fixes a bug in the computation of temperture dependent parameters." "developer" [ "ff765eda-8660-4a4c-9e67-585f8a37ace1" "b645a915-d1fa-4155-a3da-65469f990011" ] "disclaimer" "none" "doi" "10.25950/5546dcdc" "domain" "openkim.org" "extended-id" "Morse_EIP__MD_429561112321_002" "kim-api-version" "2.0" "maintainer-id" "b645a915-d1fa-4155-a3da-65469f990011" "publication-year" "2018" "source-citations" [ { "author" "Guthikonda, Venkata Suresh and Elliott, Ryan S." "doi" "10.1007/s00161-009-0109-1" "issn" "1432-0959" "journal" "Continuum Mechanics and Thermodynamics" "month" "Sep" "number" "4" "pages" "269--295" "recordkey" "MD_429561112321_002a" "recordtype" "article" "title" "An effective interaction potential model for the shape memory alloy {AuCd}" "volume" "21" "year" "2009" } { "author" "Guthikonda, Venkata Suresh and Elliott, Ryan S." "doi" "10.1007/s00161-010-0169-2" "issn" "1432-0959" "journal" "Continuum Mechanics and Thermodynamics" "month" "Mar" "number" "2" "pages" "177--183" "recordkey" "MD_429561112321_002b" "recordtype" "article" "title" "Erratum to: {A}n effective interaction potential model for the shape memory alloy {AuCd}" "volume" "23" "year" "2011" } ] "title" "Model Driver for the temperature-dependent Morse pair potential shifted to zero energy at cutoff separation v002" }