{
    "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Ni.html#Ni-Zr)" 
    "contributor-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" 
    "description" "A Finnis-Sinclair potential by Wilson and Mendelev (2015) for the Ni\u2013Zr alloy was developed that well reproduces the material properties required to model solid-liquid interfaces (SLIs) in the Ni50.0Zr50.0 alloy. In particular, the developed potential is shown to provide that the solid phase emerging from the liquid Ni50.0Zr50.0 alloy is B33 (apart from a small fraction of point defects), in agreement with the experimental phase diagram. The SLI properties obtained using the developed potential exhibit an extraordinary degree of anisotropy. It is observed that anisotropies in both the interfacial free energy and mobility are an order of magnitude larger than those measured to date in any other metallic compound. Moreover, the [0 1 0] interface is shown to play a significant role in the observed anisotropy. Our data suggest that the [0 1 0] interface simultaneously corresponds to the lowest mobility, the lowest free energy and the highest stiffness of all inclinations in B33 Ni\u2013Zr. This finding can be understood by taking into account a rather complicated crystal structure in this crystallographic direction.\n\nAccording to the developer Mikhail Mendelev (as reported by NIST IPRP), this potential is an updated version of a 2012 potential (available in OpenKIM, see https://openkim.org/cite/MO_149104665840_004), designed to simulate solidification of B2, B33, and C16 phases in Ni-Zr alloys." 
    "developer" [
        "4c441f6a-63b8-45c1-a5e7-1fedea4651e0" 
        "f3251c9e-5721-45a2-a0fc-1e48977d95e2"
    ] 
    "disclaimer" "The potential was developed to simulate the solidification/vitrification in the Ni50Zr50 alloy. It can be also used to study the B2-B33 transformation." 
    "doi" "10.25950/3c8ce3fd" 
    "domain" "openkim.org" 
    "extended-id" "EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000" 
    "kim-api-version" "2.0" 
    "maintainer-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" 
    "model-driver" "EAM_Dynamo__MD_120291908751_005" 
    "potential-type" "eam" 
    "publication-year" "2018" 
    "source-citations" [
        {
            "author" "Wilson, S.R. and Mendelev, M.I." 
            "doi" "10.1080/14786435.2014.995742" 
            "journal" "Philosophical Magazine" 
            "number" "2" 
            "pages" "224-241" 
            "recordkey" "MO_306032198193_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Anisotropy of the solid\u2013liquid interface properties of the {Ni}\u2013{Zr} {B33} phase from molecular dynamics simulation" 
            "volume" "95" 
            "year" "2015"
        }
    ] 
    "species" [
        "Ni" 
        "Zr"
    ] 
    "title" "Finnis-Sinclair potential (LAMMPS cubic hermite tabulation) for the Ni-Zr system developed by Wilson and Mendelev (2015) v000"
}