{
    "content-origin" "https://www.ctcms.nist.gov/potentials/entry/2019--Duan-X-Xie-F-Guo-X-et-al--Ta-He/" 
    "contributor-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" 
    "description" "A pair potential for Ta-He system fitted to the results obtained from ab initio calculations. The potential model proposed by Juslin and Nordlund was employed to describe the Ta-He interaction. The formation energies of single He atom at different sites were utilized as the fitting targets. Particle swarm optimization scheme was adopted to determine the parameters." 
    "developer" [
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    ] 
    "doi" "10.25950/536bdfb9" 
    "domain" "openkim.org" 
    "executables" [] 
    "extended-id" "Sim_LAMMPS_Hybrid_DuanXieGuo_2019__SM_016305073020_000" 
    "kim-api-version" "2.2" 
    "maintainer-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" 
    "potential-type" "hybrid" 
    "publication-year" "2022" 
    "run-compatibility" "portable-models" 
    "simulator-name" "LAMMPS" 
    "simulator-potential" "hybrid" 
    "source-citations" [
        {
            "abstract" "A pair potential for Ta-He system was developed by fitting to the results obtained from \\textit{ab initio} calculations. The potential model proposed by Juslin and Nordlund was employed to describe the Ta-He interaction. The formation energies of single He atom at different sites were utilized as the fitting targets. Particle swarm optimization scheme was adopted to determine the parameters. The newly developed potential could reproduce the formation energies of single He defects very well. Besides, the binding energies of an additional interstitial He atom to an existing He$_{n\u22121}$V and He$_n$ clusters, and the migration energies of interstitial He atom and HeV$_{2}$ cluster were studied. They were found to be in good agreement with available \\textit{ab initio} results." 
            "author" "Duan, Xianbao and Xie, Feng and Guo, Xu and Liu, Zhitian and Yang, Jiaqiang and Liu, Xiao and Shan, Bin" 
            "doi" "https://doi.org/10.1016/j.commatsci.2018.09.057" 
            "issn" "0927-0256" 
            "journal" "Computational Materials Science" 
            "keywords" "Tantalum, Helium, Pair potential" 
            "pages" "268-272" 
            "recordkey" "SM_016305073020_000a" 
            "recordprimary" "recordprimary" 
            "recordtype" "article" 
            "title" "Development of a pair potential for {Ta-He} system" 
            "url" "https://www.sciencedirect.com/science/article/pii/S0927025618306608" 
            "volume" "156" 
            "year" "2019"
        }
    ] 
    "species" [
        "Ta" 
        "He"
    ] 
    "title" "LAMMPS hybrid table and EAM potential for the Ta-He system developed by Duan et al. (2019) v000"
}