{
    "contributor-id" "b645a915-d1fa-4155-a3da-65469f990011" 
    "description" "A parameterization for the AuCd shape-memory alloy based on an effective interaction potential (EIP), which has an explicit dependence on temperature. In particular, the Morse pair potential is used and its adjustable coefficients are taken to be temperature dependent. An extensive exploration of the Morse pair potential is performed to identify an appropriate functional form for the temperature dependence of the potential parameters. A fitting procedure is developed for the EIPs that matches, at suitable temperatures, the stress-free equilibrium lattice parameters, instantaneous bulk moduli, cohesive energies, thermal expansion coefficients, and heat capacities of FCC Au, HCP Cd, and the B2 cubic austenite phase of the Au-47.5at%Cd alloy. The potential is shifted in energy so that it takes a value of zero eV at the cutoff separation." 
    "developer" [
        "ff765eda-8660-4a4c-9e67-585f8a37ace1" 
        "b645a915-d1fa-4155-a3da-65469f990011"
    ] 
    "doi" "10.25950/5f827afa" 
    "domain" "openkim.org" 
    "extended-id" "Morse_EIP_GuthikondaElliott_2011_AuCd__MO_703849496106_002" 
    "kim-api-version" "2.0" 
    "maintainer-id" "b645a915-d1fa-4155-a3da-65469f990011" 
    "model-driver" "Morse_EIP__MD_429561112321_002" 
    "potential-type" "morse" 
    "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" "MO_703849496106_002a" 
            "recordprimary" "recordprimary" 
            "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" "MO_703849496106_002b" 
            "recordtype" "article" 
            "title" "Erratum to: {A}n effective interaction potential model for the shape memory alloy {AuCd}" 
            "volume" "23" 
            "year" "2011"
        }
    ] 
    "species" [
        "Au" 
        "Cd"
    ] 
    "title" "Morse effective interaction potential for the AuCd shape-memory alloy developed by Guthikonda and Elliott (2011) v002"
}