{
    "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Ni.html)" 
    "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3" 
    "description" "The two-phase solid\u2013liquid coexisting structures of Ni, Cu, and Al are studied by molecular dynamics (MD) simulations using the second nearest-neighbor (2NN) modified-embedded atom method (MEAM) potential. For this purpose, the existing 2NN-MEAM parameters for Ni and Cu were modified to make them suitable for the MD simulations of the problems related to the two-phase solid\u2013liquid coexistence of these elements. Using these potentials, we compare calculated low-temperature properties of Ni, Cu, and Al, such as elastic constants, structural energy differences, vacancy formation energy, stacking fault energies, surface energies, specific heat and thermal expansion coefficient with experimental data. The solid\u2013liquid coexistence approach is utilized to accurately calculate the melting points of Ni, Cu, and Al. The MD calculations of the expansion in melting, latent heat and the liquid structure factor are also compared with experimental data. In addition, the solid\u2013liquid interface free energy and surface anisotropy of the elements are determined from the interface fluctuations, and the predictions are compared to the experimental and computational data in the literature.\n\n\nHISTORY:\n\nChanges in version 001:\n* Change ibar parameter in library file to be integer rather than float to avoid LAMMPS type check error" 
    "developer" [
        "9742aa16-137e-4f9f-9e03-f539d0583a54" 
        "53e43133-8a1e-4eba-b421-baa3cfca1621" 
        "93443148-6634-42c2-9c2f-d78bca1eafb1" 
        "05936d64-2312-402a-9873-5b6799e9f6db"
    ] 
    "doi" "10.25950/8c274efe" 
    "domain" "openkim.org" 
    "executables" [] 
    "extended-id" "Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Ni__SM_078420412697_001" 
    "kim-api-version" "2.2" 
    "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3" 
    "potential-type" "meam" 
    "publication-year" "2021" 
    "run-compatibility" "portable-models" 
    "simulator-name" "LAMMPS" 
    "simulator-potential" "meam" 
    "source-citations" [
        {
            "author" "Asadi, Ebrahim and Zaeem, Mohsen Asle and Nouranian, Sasan and Baskes, Michael I." 
            "doi" "10.1016/j.actamat.2014.12.010" 
            "issn" "1359--6454" 
            "journal" "Acta Materialia" 
            "keywords" "Molecular dynamics, MEAM, Solid\u2013liquid, Melting, Solidification" 
            "pages" "169 - 181" 
            "recordkey" "SM_078420412697_001a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Two-phase solid\u2013liquid coexistence of {N}i, {C}u, and {A}l by molecular dynamics simulations using the modified embedded-atom method" 
            "url" "http://www.sciencedirect.com/science/article/pii/S1359645414009276" 
            "volume" "86" 
            "year" "2015"
        }
    ] 
    "species" [
        "Ni"
    ] 
    "title" "LAMMPS MEAM potential for Ni developed by Asadi et al. (2015) v001"
}