{ "content-other-locations" "NIST IPRP : https://www.ctcms.nist.gov/potentials/Fe.html" "contributor-id" "fa1c5480-8f03-4349-95c1-96c205a7a333" "description" "This is the deprecated version of Fe_2.eam.fs on the NIST site, as of March 9, 2009. The updated version of the potential is in OpenKIM, https://openkim.org/cite/MO_769582363439_004\r\n\r\nFrom the developer's comments: \r\nThe potential was taken from v9_4_bcc (in C:\\SIMULATION.MD\\Fe\\Results\\ab_initio+Interstitials)\"" "developer" [ "08ce81bb-d446-4fa6-b739-ca90016e4eaf" "f3251c9e-5721-45a2-a0fc-1e48977d95e2" "c3e36b7f-82b0-46cb-9af3-94f80655331e" "a63b7c75-15ae-411a-9f45-9172a4d35063" "8f1fcf33-4166-48fb-b8f8-c5ed7845db5e" "f22c9e2f-501b-4d72-8162-42370c04da12" ] "disclaimer" "Note that there is a typographical error in the table of parameters for this potential in the paper describing it [1]. This is potential is suitable for the simulation of the bcc Fe or solidification. For simulation of the fcc phase, one can use the Fe part from the Fe-Ni-Cr potential developed by Mendelev instead (). " "doi" "10.25950/4d284d74" "domain" "openkim.org" "extended-id" "EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_000" "kim-api-version" "2.0" "maintainer-id" "fa1c5480-8f03-4349-95c1-96c205a7a333" "model-driver" "EAM_Dynamo__MD_120291908751_005" "potential-type" "eam" "publication-year" "2018" "source-citations" [ { "author" "Mendelev, MI and Han, S and Srolovitz, DJ and Ackland, GJ and Sun, DY and Asta, M" "doi" "10.1080/14786430310001613264" "issn" "{1478-6443}" "journal" "{Phil. Mag.}" "month" "{Dec 11}" "number" "{35}" "orcid-numbers" "{Sun, Deyan/0000-0002-9728-8017 Ackland, Graeme/0000-0002-1205-7675 Mendelev, Mikhail/0000-0002-1841-1073}" "pages" "{3977-3994}" "recordkey" "MO_807997826449_000a" "recordprimary" "recordprimary" "recordtype" "article" "researcherid-numbers" "{Sun, Deyan/D-5088-2012 Ackland, Graeme/H-2215-2015 }" "title" "{Development of new interatomic potentials appropriate for crystalline and liquid iron}" "unique-id" "{ISI:000188454300002}" "volume" "{83}" "year" "{2003}" } ] "species" [ "Fe" ] "title" "EAM potential (LAMMPS cubic hermite tabulation) for Fe developed by Mendelev et al. (2003) v000" }