{
    "contributor-id" "35705d55-514a-42a3-9ef5-4c0db16ea64b" 
    "description" "This is an EAM-Alloy potential first developed by (Angelo et al. 1995; 1997) and modified by Song and Curtin (2010).  This potential describes the interactions of Ni and H atoms.  We modified this potential to get better accordance with the results of DFT simulations (Alvaro et al. 2015; Di Stefano et al. 2015) of binding H atoms to symmetric tilt grain boundaries in nickel.   The binding energies are now in better agreement.\n\nReferences\nAlvaro, A and Jensen, I Thue and Kheradmand, N and L{\\o}vvik, OM and Olden, V, Hydrogen embrittlement in nickel, visited by first principles modeling, cohesive zone simulation and nanomechanical testing, international journal of hydrogen energy}, 40, 16892, 2015.\nAngelo, James E and Moody, Neville R and Baskes, Michael I, Trapping of hydrogen to lattice defects in nickel, Modelling and Simulation in Materials Science and Engineering, 3,289,1995\nBaskes, MI and Sha, Xianwei and Angelo, JE and Moody, NR,  Trapping of hydrogen to lattice defects in nickel, Modelling and Simulation in Materials Science and Engineering, 5, 651, 1997\nDi Stefano, Davide and Mrovec, Matous and Els{\\\"a}sser, Christian, First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel, Acta Materialia 98, 306, 2015\nSong, Jun and Curtin, W.A., A nanoscale mechanism of hydrogen embrittlement in metals, Acta Materiallia 59, 1557,2011." 
    "developer" [
        "35705d55-514a-42a3-9ef5-4c0db16ea64b" 
        "d5b4a411-f2d7-47bb-92f1-5e89a4cdcb9e"
    ] 
    "doi" "10.25950/9f526e73" 
    "domain" "openkim.org" 
    "extended-id" "EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003" 
    "kim-api-version" "2.0" 
    "maintainer-id" "35705d55-514a-42a3-9ef5-4c0db16ea64b" 
    "model-driver" "EAM_Dynamo__MD_120291908751_005" 
    "potential-type" "eam" 
    "publication-year" "2018" 
    "source-citations" [
        {
            "author" "Tehranchi, Ali and Curtin, William A" 
            "doi" "10.1016/j.jmps.2017.01.020" 
            "journal" "Journal of the mechanics and physics of solids" 
            "pages" "150--165" 
            "recordkey" "MO_535504325462_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Atomistic study of hydrogen embrittlement of grain boundaries in nickel: {I}. {F}racture" 
            "volume" "101" 
            "year" "2017"
        }
    ] 
    "species" [
        "Ni" 
        "H"
    ] 
    "title" "EAM potential (LAMMPS cubic hermite tabulation) for Ni-H with enhanced binding of H atoms to Ni grain boundaries by Tehranchi and Curtin (2017) v003"
}