{ "contributor-id" "c2a3340e-1ed1-47b0-86d1-0fb98fa0375d" "description" "Parameterization by Dudarev and Derlet (J. Phys. Condens. Matter, 2005), for bcc Fe of an EAM cubic splines potential - fitted to various point defect energies and bulk properties. Also includes short-range coulomb potential (and required interpolating function to outer EAM part) - suitable for studying displacement cascades." "developer" [ "e05ec882-6efd-4d0c-a739-017d45348e8b" "a8cdcc74-33a3-4e6d-ae7f-64ab41c82e63" ] "doi" "10.25950/eb4996de" "domain" "openkim.org" "extended-id" "EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002" "kim-api-version" "2.0" "maintainer-id" "c2a3340e-1ed1-47b0-86d1-0fb98fa0375d" "model-driver" "EAM_MagneticCubic__MD_620624592962_002" "potential-type" "eam" "publication-year" "2018" "source-citations" [ { "author" "Dudarev, S. L. and Derlet, P. M." "doi" "10.1088/0953-8984/17/44/003" "journal" "Journal of Physics: Condensed Matter" "number" "44" "pages" "7097--7118" "recordkey" "MO_135034229282_002a" "recordprimary" "recordprimary" "recordtype" "article" "title" "A `magnetic' interatomic potential for molecular dynamics simulations" "volume" "17" "year" "2005" } { "author" "Dudarev, S. L. and Derlet, P. M." "doi" "10.1088/0953-8984/19/23/239001" "journal" "Journal of Physics: Condensed Matter" "number" "23" "pages" "239001" "recordkey" "MO_135034229282_002b" "recordtype" "article" "title" "Erratum: {A} `magnetic' interatomic potential for molecular dynamics simulations" "volume" "19" "year" "2007" } ] "species" [ "Fe" ] "title" "EAM potential (magnetic, cubic tabulation) for magnetic Fe developed by Dudarev and Derlet (2005) v002" }