{ "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Fe.html#Fe-Ni-Cr)" "contributor-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "description" "EAM potential for the ternary Fe-Ni-Cr system developed by Bonny, Castin and Terentyev (2013) to model the production and evolution of radiation defects. Special attention has been drawn to the Fe10Ni20Cr alloy, whose properties were ensured to be close to those of 316L austenitic stainless steels. The potential is extensively benchmarked against density functional theory calculations and the potential developed in earlier work by Bonny et al.. As a first validation, the potential is used in AKMC simulations to simulate thermal annealing experiments in order to determine the self-diffusion coefficients of the components in FeNiCr alloys around the Fe10Ni20Cr composition. The results from these simulations are consistent with experiments, i.e., D_Cr > D_Ni > D_Fe." "developer" [ "79c9470c-5b2d-4c3a-883a-34dcca088714" "c0bac10a-3c52-4e7b-a9ce-9db02266ed01" "de423f65-4625-44ad-998d-96b32f4addc6" ] "doi" "10.25950/3e7879ea" "domain" "openkim.org" "extended-id" "EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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 Castin, N and Terentyev, D" "doi" "10.1088/0965-0393/21/8/085004" "journal" "Modelling and Simulation in Materials Science and Engineering" "number" "8" "pages" "085004" "recordkey" "MO_763197941039_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Interatomic potential for studying ageing under irradiation in stainless steels: the {FeNiCr} model alloy" "volume" "21" "year" "2013" } ] "species" [ "Fe" "Ni" "Cr" ] "title" "EAM potential (LAMMPS cubic hermite tabulation) for the Fe-Ni-Cr system developed by Bonny, Castin and Terentyev (2013) v000" }