{ "content-other-locations" "LAMMPS dated 2007-06-11" "contributor-id" "fa1c5480-8f03-4349-95c1-96c205a7a333" "description" "This Zr EAM potential parameter file is the deprecated NIST file Zr_3.eam.fs mentioned in the March 9, 2009 update in the NIST IPRP. The potential is equivalent to Zr_mm.eam.fs from the LAMMPS package, dated 2007-06-11. CONTRIBUTOR: MI Mendelev, mendelev@ameslab.gov, contributor note: was taken from v3_10_hcp (in C:\\SIMULATION.MD\\Zr\\Results\\v3_10)." "developer" [ "f3251c9e-5721-45a2-a0fc-1e48977d95e2" "c3e36b7f-82b0-46cb-9af3-94f80655331e" ] "disclaimer" "There is another Zr potential (#2) in the same paper which is suitable for the simulation of the bcc Zr and solidification. It is a part of Cu-Zr potentials by Mendelev (see https://openkim.org/id/MO_609260676108_000). " "doi" "10.25950/97d25ed6" "domain" "openkim.org" "extended-id" "EAM_Dynamo_MendelevAckland_2007_Zr__MO_537826574817_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, M. I. and Ackland, G. J." "doi" "10.1080/09500830701191393" "issn" "0950-0839" "journal" "{Phil. Mag. Lett.}" "number" "5" "orcid-numbers" "{Ackland, Graeme/0000-0002-1205-7675 Mendelev, Mikhail/0000-0002-1841-1073}" "pages" "349-359" "recordkey" "MO_537826574817_000a" "recordprimary" "recordprimary" "recordtype" "article" "researcherid-numbers" "{Ackland, Graeme/H-2215-2015 }" "title" "{Development of an interatomic potential for the simulation of phase transformations in zirconium}" "unique-id" "{ISI:000246264400005}" "volume" "87" "year" "2007" } ] "species" [ "Zr" ] "title" "EAM potential (LAMMPS cubic hermite tabulation) for Zr developed by Mendelev and Ackland (2007) v000" }