{ "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Fe.html#Fe-P)" "content-other-locations" "http://homepages.ed.ac.uk/graeme/moldy/moldy.html" "contributor-id" "f3251c9e-5721-45a2-a0fc-1e48977d95e2" "description" "Finnis-Sinclair potential for the Fe-P system developed by Ackland et al. (2004) in EAM format based primarily on ab initio data. Transferability in this system is extremely problematic, and the potential is intended specifically to address the problem of radiation damage and point defects in iron containing low concentrations of phosphorus atoms. Some preliminary molecular dynamics calculations show that P strongly affects point defect migration." "developer" [ "f3251c9e-5721-45a2-a0fc-1e48977d95e2" "c3e36b7f-82b0-46cb-9af3-94f80655331e" "a63b7c75-15ae-411a-9f45-9172a4d35063" "f22c9e2f-501b-4d72-8162-42370c04da12" "3f4a3266-ef27-4a61-a1ea-99f20ef9efba" ] "disclaimer" "This potential is intended specifically to address the problem of radiation damage and point defects in iron containing low concentrations of phosphorus atoms. Note that the Fe part is not the same as 2003 Fe potential by Mendelev from [M.I. Mendelev, S. Han, D.J. Srolovitz, G.J. Ackland, D.Y. Sun and M. Asta, Phil. Mag. 83, 3977-3994 (2003).], which is available as https://openkim.org/cite/MO_769582363439_004." "doi" "10.25950/cf64bcf2" "domain" "openkim.org" "extended-id" "EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005" "kim-api-version" "2.0" "maintainer-id" "f3251c9e-5721-45a2-a0fc-1e48977d95e2" "model-driver" "EAM_Dynamo__MD_120291908751_005" "potential-type" "eam" "publication-year" "2018" "source-citations" [ { "author" "G. J. Ackland and M. I. Mendelev and D. J. Srolovitz and S. Han and A. V. Barashev" "doi" "10.1088/0953-8984/16/27/003" "journal" "Journal of Physics: Condensed Matter" "number" "27" "pages" "S2629" "recordkey" "MO_884343146310_005a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Development of an interatomic potential for phosphorus impurities in $\\alpha$-iron" "volume" "16" "year" "2004" } ] "species" [ "Fe" "P" ] "title" "Finnis-Sinclair potential (LAMMPS cubic hermite tabulation) for the Fe-P system developed by Ackland et al. (2004) v000" }