{ "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Al.html#Al-Co-Ni)" "contributor-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "description" "EAM potential for the Ni-Al-Co system developed by Pun, Yamakov and Mishin (2013) by fitting to experimental and first-principles data. Reasonably good agreement is achieved for physical properties between values predicted by the potential and values known from experiment and/or first-principles calculations. The potential reproduces basic features of the martensitic phase transformation from the B2-ordered high-temperature phase to a tetragonal CuAu-ordered low-temperature phase. The compositional and temperature ranges of this transformation and the martensite microstructure predicted by the potential compare well with existing experimental data. These results indicate that the proposed potential can be used for simulations of the shape memory effect in the Ni\u2013Al\u2013Co system." "developer" [ "d638859f-e5e8-4593-b51e-aa4524a12b92" "201572cf-870c-477f-b34f-3a6481002dee" "02eb69dc-bae3-460c-aaf4-1513724c986f" ] "doi" "10.25950/48e9959e" "domain" "openkim.org" "extended-id" "EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_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" "Pun, G P Purja and Yamakov, V and Mishin, Y" "doi" "10.1088/0965-0393/23/6/065006" "journal" "Modelling and Simulation in Materials Science and Engineering" "number" "6" "pages" "065006" "recordkey" "MO_826591359508_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Interatomic potential for the ternary Ni\u2013Al\u2013Co system and application to atomistic modeling of the B2\u2013L1 0 martensitic transformation" "volume" "23" "year" "2015" } ] "species" [ "Ni" "Al" "Co" ] "title" "EAM potential (LAMMPS cubic hermite tabulation) for the Ni-Al-Co system developed by Pun, Yamakov and Mishin (2013) v000" }