{
    "content-origin" "http://www.ctcms.nist.gov/potentials/Al.html" 
    "contributor-id" "f3251c9e-5721-45a2-a0fc-1e48977d95e2" 
    "description" "We present an analysis, based upon atomistic simulation data, of the effect of Fe impurities on grain boundary migration in Al. The first step is the development of a new interatomic potential for Fe in Al. This potential provides an accurate description of Al\u2013Fe liquid diffraction data and the bulk diffusivity of Fe in Al. We use this potential to determine the physical parameters in the Cahn\u2013L\u00fccke\u2013St\u00fcwe (CLS) model for the effect of impurities on grain boundary mobility. These include the heat of segregation of Fe to grain boundaries in Al and the diffusivity of Fe in Al. Using the simulation-parameterized CLS model, we predict the grain boundary mobility in Al in the presence of Fe as a function of temperature and Fe concentration. The order of magnitude and the trends in the mobility from the simulations are in agreement with existing experimental results." 
    "developer" [
        "f3251c9e-5721-45a2-a0fc-1e48977d95e2" 
        "c3e36b7f-82b0-46cb-9af3-94f80655331e" 
        "a63b7c75-15ae-411a-9f45-9172a4d35063" 
        "f22c9e2f-501b-4d72-8162-42370c04da12"
    ] 
    "disclaimer" "The Al part of this potential leads to very low free surface energy. The potential may easily produce spontaneous cavity nucleation in MD which will be an artifact of this potential. " 
    "doi" "10.25950/448f3c57" 
    "domain" "openkim.org" 
    "extended-id" "EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005" 
    "kim-api-version" "2.0" 
    "maintainer-id" "f3251c9e-5721-45a2-a0fc-1e48977d95e2" 
    "model-driver" "EAM_Dynamo__MD_120291908751_005" 
    "potential-type" "eam" 
    "publication-year" "2018" 
    "source-citations" [
        {
            "author" "Mendelev, M.I. and Srolovitz, D.J. and Ackland, G.J. and Han, S." 
            "doi" "10.1557/JMR.2005.0024" 
            "journal" "Journal of Materials Research" 
            "number" "1" 
            "pages" "208--218" 
            "publisher" "Cambridge University Press" 
            "recordkey" "MO_577453891941_005a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Effect of {Fe} Segregation on the Migration of a Non-Symmetric $\\Sigma$5 Tilt Grain Boundary in {Al}" 
            "volume" "20" 
            "year" "2005"
        }
    ] 
    "species" [
        "Al" 
        "Fe"
    ] 
    "title" "Finnis-Sinclair potential (LAMMPS cubic hermite tabulation) for the Al-Fe system developed by Mendelev et al. (2005) v005"
}