{
    "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Ni.html#Ni-Ti)" 
    "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3" 
    "description" "Phase transitions in nickel-titanium shape-memory alloys are investigated by means of atomistic simulations. A second nearest-neighbor modified embedded-atom method interatomic potential for the binary nickel-titanium system is determined by improving the unary descriptions of pure nickel and pure titanium, especially regarding the physical properties at finite temperatures. The resulting potential reproduces accurately the hexagonal-close-packed to body-centered-cubic phase transition in Ti and the martensitic B2\u2212B19\u2032 transformation in equiatomic NiTi. Subsequent large-scale molecular-dynamics simulations validate that the developed potential can be successfully applied for studies on temperature- and stress-induced martensitic phase transitions related to core applications of shape-memory alloys. A simulation of the temperature-induced phase transition provides insights into the effect of sizes and constraints on the formation of nanotwinned martensite structures with multiple domains. A simulation of the stress-induced phase transition of a nanosized pillar indicates a full recovery of the initial structure after the loading and unloading processes, illustrating a superelastic behavior of the target system." 
    "developer" [
        "00a8aa29-bb6a-443b-b97d-6c6f10e49e03" 
        "a35cc69f-6efc-42f6-827a-53c0b3536be0" 
        "0d39bd95-ac92-4874-b6dd-eaa39d78e25d"
    ] 
    "doi" "10.25950/3d5bb2de" 
    "domain" "openkim.org" 
    "extended-id" "Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000" 
    "kim-api-version" "2.1" 
    "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3" 
    "potential-type" "meam" 
    "publication-year" "2019" 
    "run-compatibility" "portable-models" 
    "simulator-name" "LAMMPS" 
    "simulator-potential" "meam/c" 
    "source-citations" [
        {
            "author" "Ko, Won-Seok and Grabowski, Blazej and Neugebauer, J\\\"org" 
            "doi" "10.1103/PhysRevB.92.134107" 
            "issue" "13" 
            "journal" "Physical Review B" 
            "pages" "134107" 
            "recordkey" "SM_770142935022_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Development and application of a {Ni}-{Ti} interatomic potential with high predictive accuracy of the martensitic phase transition" 
            "volume" "92" 
            "year" "2015"
        }
    ] 
    "species" [
        "Ni" 
        "Ti"
    ] 
    "title" "LAMMPS MEAM potential for Ni-Ti developed by Ko, Grabowski, and Neugebauer (2015) v000"
}