{
    "contributor-id" "128f03aa-1c9d-4bfa-bb3d-b9cab052c5e9" 
    "description" "Titanium model for multi-state modfied embedded atom method model driver. Fitted to first principles VASP data set that includes seven variable coordinations and two transformation paths. Ti_pv POTCAR was utilized to generate first princples VASP data." 
    "developer" [
        "128f03aa-1c9d-4bfa-bb3d-b9cab052c5e9" 
        "22e44189-d4a4-4332-8172-58530506a466" 
        "05936d64-2312-402a-9873-5b6799e9f6db" 
        "fa1c5480-8f03-4349-95c1-96c205a7a333" 
        "29afcccb-9ea5-44bd-977c-9c64cba3dcaa"
    ] 
    "disclaimer" "The cutoff radius, in \u00c5, can be varied by the user via modification of the value on line 4 within the Ti.meatable model file. The recommended range for the cutoff radius is between a minimum of 5.843 \u00c5ngstroms (two times the lattice scaling constant) and maximum of 11.686 \u00c5ngstroms. (four times the lattice scaling constant). The lattice and energy scaling constants are given as the third and fourth values, respectively, on line five of the Ti.meatable model file." 
    "domain" "openkim.org" 
    "extended-id" "MSMEAM_Gibson_Ti__MO_309653492217_000" 
    "kim-api-version" "1.6" 
    "maintainer-id" "128f03aa-1c9d-4bfa-bb3d-b9cab052c5e9" 
    "model-driver" "MSMEAM_Dynamo_Gibson_Baskes__MD_080127949983_000" 
    "potential-type" "meam" 
    "publication-year" "2016" 
    "source-citations" [
        {
            "abstract" "The continuing search for broadly applicable, predictive, and unique potential functions led to the invention of the multi-state modified embedded atom method (MS-MEAM) (Baskes et al 2007 Phys. Rev. B 75 094113). MS-MEAM replaced almost all of the prior arbitrary choices of the MEAM electron densities, embedding energy, pair potential, and angular screening functions by using first-principles computations of energy/volume relationships for multiple reference crystal structures and transformation paths connecting those reference structures. This strategy reasonably captured diverse interactions between atoms with variable coordinations in a face-centered-cubic (fcc)-stable copper system. However, a straightforward application of the original MS-MEAM framework to model technologically useful hexagonal-close-packed (hcp) metals proved elusive. This work describes the development of an hcp-stable/fcc-metastable MS-MEAM to model titanium by introducing a new angular function within the background electron density description. This critical insight enables the titanium MS-MEAM potential to reproduce first principles computations of reference structures and transformation paths extremely well. Importantly, it predicts lattice and elastic constants, defect energetics, and dynamics of non-ideal hcp and liquid titanium in good agreement with first principles computations and corresponding experiments, and often better than the three well-known literature models used as a benchmark. The titanium MS-MEAM has been made available in the Knowledgebase of Interatomic Models (https://openkim.org/) (Tadmor et al 2011 JOM 63 17)." 
            "author" "Gibson, J S and Srinivasan, S G and Baskes, M I and Miller, R E and Wilson, A K" 
            "doi" "10.1088/1361-651x/25/1/015010" 
            "journal" "Modelling and Simulation in Materials Science and Engineering" 
            "month" "dec" 
            "number" "1" 
            "pages" "015010" 
            "publisher" "{IOP} Publishing" 
            "recordkey" "MO_309653492217_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "A multi-state modified embedded atom method potential for titanium" 
            "volume" "25" 
            "year" "2016"
        }
    ] 
    "species" [
        "Ti"
    ] 
    "title" "Titanium model for multi-state modified embedded atom method"
}