{"content-origin" "https://www.ctcms.nist.gov/potentials/entry/2019--Chen-Y-Fang-J-Liu-L-et-al--W-Re/2019--Chen-Y--W-Re--LAMMPS--ipr1.html"
 "contributor-id" "66443d60-a76c-472c-987e-dd80fde07aae"
 "description" "An interatomic potential of W and Re, suitable for description of radiation defects in alloys of the two. The fitted potentials not only reproduce the results of the formation energy, binding energy and migration energy of various radiation defects and the physical properties from the extended database obtained from DFT calculations, but also predict well the relative stability of different interstitial dislocation loops in W, as reported in experiments. This listing corresponds to the \"Y-C_2\" model in the source citation, which offers improved representations over the previous \"Y-C_1\" model (a.k.a.  EAM_Dynamo_ChenLiGao_2018_WRe__MO_138684956898_000) for some of the interstitial migration and binding energies."
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 "doi" "10.25950/22ef7d73"
 "domain" "openkim.org"
 "executables" []
 "extended-id" "EAM_Dynamo_ChenFangLiu_2019_WRe__MO_473237400492_000"
 "funding" [{"award-number" "2018YFE0308100"
             "funder-name" "National MCF Energy R&D Program "}
            {"award-number" "2018YFB0704002"
             "funder-name" "National Key R&D Program of China"}
            {"award-number" "51771073, 11675011, 11675230 and 11375242"
             "funder-identifier" "https://doi.org/10.13039/501100001809"
             "funder-identifier-type" "Crossref Funder ID"
             "funder-name" "National Natural Science Foundation of China"
             "scheme-uri" "http://doi.org/"}]
 "kim-api-version" "2.3"
 "maintainer-id" "66443d60-a76c-472c-987e-dd80fde07aae"
 "model-driver" "EAM_Dynamo__MD_120291908751_006"
 "potential-type" "eam"
 "publication-year" "2025"
 "source-citations" [{"abstract" "Tungsten (W) and W-based alloys are the leading candidates for plasma-facing materials (PFMs) in future fusion reactors. However, the high energy neutrons generated in fusion reactions not only result in cascade damages but also cause W transmutation. Both the irradiation defects and transmutation products, mainly rhenium (Re), have serious effects on the service behaviors of W PFMs. In this work, we have systematically investigated the interaction between Re and the self-interstitial atoms, self-interstitial clusters and 1/2<111> interstitial dislocation loops in bulk W using molecular dynamics and statics simulations. It is found that there is a strong attractive interaction between an interstitial W atom and a substitutional Re atom, forming a Re–W dumbbell that migrates 3-dimentionally due to the low migration and rotation energies. The small SIA clusters strongly bind with both the substitutional Re atoms and an interstitial Re atom (Re–W mixed dumbbell), thus decreasing the mobility of these clusters. The strong attractive interaction between a Re atom and a 1/2<111> interstitial dislocation loop occurs when the Re atom is located at the core of the loop, and also, their interaction distance along <111> direction is large. The mobility of the 1/2<111> interstitial dislocation loop decreases progressively with increasing Re concentration."
                      "author" "Chen, Yangchun and Fang, Jingzhong and Liu, Lixia and Hu, Wangyu and Jiang, Chao and Gao, Ning and Zhou, Hong-Bo and Lu, Guang-Hong and Gao, Fei and Deng, Huiqiu"
                      "doi" "https://doi.org/10.1016/j.jnucmat.2019.05.003"
                      "issn" "0022-3115"
                      "journal" "Journal of Nuclear Materials"
                      "keywords" "Tungsten, Rhenium, Defects, Molecular dynamics simulation"
                      "pages" "200-211"
                      "recordkey" "MO_473237400492_000a"
                      "recordprimary" "recordprimary"
                      "recordtype" "article"
                      "title" "The interactions between rhenium and interstitial-type defects in bulk tungsten: A combined study by molecular dynamics and molecular statics simulations"
                      "url" "https://www.sciencedirect.com/science/article/pii/S0022311518315356"
                      "volume" "522"
                      "year" "2019"}]
 "species" ["W" "Re"]
 "title" "EAM potential (LAMMPS cubic hermite tabulation) for W-Re with improved representations over the 2018 potential, developed by Chen, Li, Gao et al. (2018) v000"}