{
    "content-origin" "NIST IPRP(http://www.ctcms.nist.gov/potentials/Ti.html)" 
    "content-other-locations" "http://homepages.ed.ac.uk/graeme/moldy/moldy.html" 
    "contributor-id" "c3e36b7f-82b0-46cb-9af3-94f80655331e" 
    "description" "It is shown that any force model using short-range pair-functional interactions can only have three independent h.c.p. elastic constants. Empirical data show that these elastic properties are nearly realized in a number of materials. A new parametrization of a Finnis-Sinclair-type many-body potential for titanium is presented using these relations. Particular care is taken to describe the anisotropy of the shear constants and the deviation of the c/a lattice parameter ratio from ideal, while maintaining smooth monotonic functions. Energies, stresses and reconstruction modes of various low-index surfaces are calculated and general rules for surface stability are proposed. Various stacking faults on the basal and pyramidal plane are investigated. This potential is widely used for radiation damage and gives a nice hcp-bcc martensitic transition. Available with early cross potentials for complete Ti3Al TiAl and TiAl3 system." 
    "developer" [
        "c3e36b7f-82b0-46cb-9af3-94f80655331e"
    ] 
    "disclaimer" "Stacking fault energy in hcp is too low. Basal dislocations can be formed, and well as prismatic." 
    "doi" "10.25950/276be3c4" 
    "domain" "openkim.org" 
    "extended-id" "EAM_Dynamo_Ackland_1992_Ti__MO_748534961139_005" 
    "kim-api-version" "2.0" 
    "maintainer-id" "c3e36b7f-82b0-46cb-9af3-94f80655331e" 
    "model-driver" "EAM_Dynamo__MD_120291908751_005" 
    "potential-type" "eam" 
    "publication-year" "2018" 
    "source-citations" [
        {
            "author" "Graeme J. Ackland" 
            "doi" "10.1080/01418619208247999" 
            "journal" "Philosophical Magazine A" 
            "number" "6" 
            "pages" "917--932" 
            "publisher" "Taylor \\& Francis" 
            "recordkey" "MO_748534961139_005a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Theoretical study of titanium surfaces and defects with a new many-body potential" 
            "volume" "66" 
            "year" "1992"
        } 
        {
            "author" "G.J. Ackland and K. D'Mellow and S.L. Daraszewicz and D.J. Hepburn and M. Uhrin and K. Stratford" 
            "doi" "10.1016/j.cpc.2011.07.014" 
            "issn" "0010-4655" 
            "journal" "Computer Physics Communications" 
            "number" "12" 
            "pages" "2587--2604" 
            "recordkey" "MO_748534961139_005b" 
            "recordtype" "article" 
            "title" "The {MOLDY} short-range molecular dynamics package" 
            "volume" "182" 
            "year" "2011"
        }
    ] 
    "species" [
        "Ti"
    ] 
    "title" "Finnis-Sinclair potential (LAMMPS cubic hermite tabulation) for Ti for the hcp-fcc transition developed by Ackland (1992) v005"
}