{ "content-origin" "http://www.ctcms.nist.gov/potentials/Fe.html" "content-other-locations" "https://code.google.com/archive/p/moldy/" "contributor-id" "c3e36b7f-82b0-46cb-9af3-94f80655331e" "description" "Simple EAM potential for bcc iron designed for radiation damage. Fitted to elastic moduli. Gives correct SIA (011) and widely used in radiation damage studies. Small modification for shock waves available giving hcp/bcc transition in the correct pressure." "developer" [ "c3e36b7f-82b0-46cb-9af3-94f80655331e" "3f65a45b-9f45-4b8a-a87d-18db07ecc954" "be348aa5-4ffc-4536-ab35-6be68f1a337f" "f53ef961-4fe8-4310-a8ee-0c56709d8abb" ] "disclaimer" "The Mendelev-Ackland potential 2003/2004 has closer fitting to interstitials and melt. The potential does not reproduce alpha-gamma transition, which is required for proper treatment of paramagnetism." "doi" "10.25950/93837486" "domain" "openkim.org" "extended-id" "EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005" "kim-api-version" "2.0" "maintainer-id" "c3e36b7f-82b0-46cb-9af3-94f80655331e" "model-driver" "EAM_Dynamo__MD_120291908751_005" "potential-type" "eam" "publication-year" "2018" "source-citations" [ { "author" "G. J. Ackland and D. J. Bacon and A. F. Calder and T. Harry" "doi" "10.1080/01418619708207198" "journal" "Philosophical Magazine A" "number" "3" "pages" "713--732" "publisher" "Taylor \\& Francis" "recordkey" "MO_142799717516_005a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Computer simulation of point defect properties in dilute {Fe}-{Cu} alloy using a many-body interatomic potential" "volume" "75" "year" "1997" } { "author" "A. Machov{\\'a} and G. J. Ackland" "doi" "10.1088/0965-0393/6/5/002" "issn" "0965-0393" "journal" "Modelling and simulation in materials science and engineering" "month" "9" "number" "5" "pages" "521--542" "publisher" "IOP Publishing Ltd." "recordkey" "MO_142799717516_005b" "recordtype" "article" "title" "Dynamic overshoot in alpha-iron by atomistic simulations" "volume" "6" "year" "1998" } ] "species" [ "Fe" ] "title" "Finnis-Sinclair potential (LAMMPS cubic hermite tabulation) for bcc Fe developed by Ackland et al. (1997) v005" }