{ "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/W.html#W-H-He)" "contributor-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "description" "EAM potential for the W-H-He system developed by Bonny, Grigorev, and Terentyev (2014); Potential EAM2. In this work we developed an embedded atom method potential for large scale atomistic simulations in the ternary tungsten\u2013hydrogen\u2013helium (W\u2013H\u2013He) system, focusing on applications in the fusion research domain. Following available ab initio data, the potential reproduces key interactions between H, He and point defects in W and utilizes the most recent potential for matrix W. The potential is applied to assess the thermal stability of various H\u2013He complexes of sizes too large for ab initio techniques. The results show that the dissociation of H\u2013He clusters stabilized by vacancies will occur primarily by emission of hydrogen atoms and then by break-up of V\u2013He complexes, indicating that H\u2013He interaction does influence the release of hydrogen." "developer" [ "79c9470c-5b2d-4c3a-883a-34dcca088714" "e76ad141-1557-4e16-8cd1-b5a98d24ad26" "de423f65-4625-44ad-998d-96b32f4addc6" ] "doi" "10.25950/e2ede53d" "domain" "openkim.org" "extended-id" "EAM_Dynamo_BonnyGrigorevTerentyev_2014EAM2_WHHe__MO_626183701337_000" "kim-api-version" "2.0" "maintainer-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "model-driver" "EAM_Dynamo__MD_120291908751_005" "potential-type" "eam" "publication-year" "2018" "source-citations" [ { "author" "Bonny, G and Grigorev, P and Terentyev, D" "doi" "10.1088/0953-8984/26/48/485001" "journal" "Journal of Physics: Condensed Matter" "number" "48" "pages" "485001" "recordkey" "MO_626183701337_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "On the binding of nanometric hydrogen\u2013helium clusters in tungsten" "volume" "26" "year" "2014" } ] "species" [ "W" "H" "He" ] "title" "EAM potential (LAMMPS cubic hermite tabulation) for the W-H-He system developed by Bonny et al. (2014); Potential EAM2 v000" }