{
    "content-origin" "https://doi.org/10.6084/m9.figshare.6210413" 
    "contributor-id" "bdcbfc0f-24f2-4617-bed9-9f4f894b516b" 
    "description" "We present an embedded atom method (EAM) potential for the binary Cu\u2013Au system. The unary phases are described by two well-tested unary EAM potentials for Cu and Au. We fitted the interaction between Cu and Au to experimental properties of the binary intermetallic phases Cu(3)Au, CuAu and CuAu(3). Particular attention has been paid to reproducing stacking fault energies in order to obtain a potential suitable for studying deformation in this binary system. The resulting energies, lattice constant, elastic properties and melting points are in good agreement with available experimental data. We use nested sampling to show that our potential reproduces the phase boundaries between intermetallic phases and the disordered face-centered cubic solid solution. We benchmark our potential against four popular Cu\u2013Au EAM parameterizations and density-functional theory calculations." 
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    "doi" "10.25950/d7cdbeb9" 
    "domain" "openkim.org" 
    "executables" [] 
    "extended-id" "EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000" 
    "funding" [
        {
            "award-number" "PA 2023/2" 
            "funder-identifier" "https://doi.org/10.13039/501100001659" 
            "funder-identifier-type" "Crossref Funder ID" 
            "funder-name" "Deutsche Forschungsgemeinschaft" 
            "scheme-uri" "http://doi.org/"
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    "maintainer-id" "bdcbfc0f-24f2-4617-bed9-9f4f894b516b" 
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    "potential-type" "eam" 
    "publication-year" "2020" 
    "source-citations" [
        {
            "abstract" "We present an embedded atom method (EAM) potential for the binary Cu\u2013Au system. The unary phases are described by two well-tested unary EAM potentials for Cu and Au. We fitted the interaction between Cu and Au to experimental properties of the binary intermetallic phases Cu3Au, CuAu and CuAu3. Particular attention has been paid to reproducing stacking fault energies in order to obtain a potential suitable for studying deformation in this binary system. The resulting energies, lattice constant, elastic properties and melting points are in good agreement with available experimental data. We use nested sampling to show that our potential reproduces the phase boundaries between intermetallic phases and the disordered face-centered cubic solid solution. We benchmark our potential against four popular Cu\u2013Au EAM parameterizations and density-functional theory calculations." 
            "author" "Gola, Adrien and Pastewka, Lars" 
            "doi" "10.1088/1361-651X/aabce4" 
            "journal" "Modelling and Simulation in Materials Science and Engineering" 
            "pages" "055006" 
            "recordkey" "MO_426403318662_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Embedded atom method potential for studying mechanical properties of binary {Cu}\u2013{Au} alloys" 
            "url" "http://dx.doi.org/10.1088/1361-651X/aabce4" 
            "volume" "26" 
            "year" "2018"
        }
    ] 
    "species" [
        "Au" 
        "Cu"
    ] 
    "title" "EAM potential (LAMMPS cubic hermite tabulation) for Cu-Au alloys developed by Gola and Pastewka (2018) v000"
}