{ "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Al.html#Al-Mn-Pd)" "contributor-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "description" "EAM potential for the \u039e phases of Al-Mn-Pd developed by Schopf et al. (2012) using the force-matching method. Different combinations of analytic functions were tested for the pair and transfer part. The best results are obtained if one allows for oscillations on two different length scales. These potentials stabilize structure models of the \u039e phases and describe their energy with high accuracy. Simulations at temperatures up to 1200 K show very good agreement with ab initio results with respect to stability and dynamics of the system. This model is also stored in OpenKIM for the IMD EAM driver, see https://openkim.org/cite/MO_878712978062_002" "developer" [ "515b912e-f0d0-474e-943f-4115c885424a" "436bfee1-e8e6-4856-bcb9-b6eff089cb7c" "3fbbcc37-de52-4b69-8196-8749bbe4dc01" "a795e742-41a5-47a1-9586-dc507c1f5f3f" ] "doi" "10.25950/bd7869bc" "domain" "openkim.org" "extended-id" "EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000" "kim-api-version" "2.0" "maintainer-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "model-driver" "EAM_Dynamo__MD_120291908751_005" "potential-type" "eam" "publication-year" "2018" "source-citations" [ { "author" "Schopf, Daniel and Brommer, Peter and Frigan, Benjamin and Trebin, Hans-Rainer" "doi" "10.1103/PhysRevB.85.054201" "issue" "5" "journal" "Phys. Rev. B" "pages" "054201" "recordkey" "MO_137572817842_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Embedded atom method potentials for Al-Pd-Mn phases" "volume" "85" "year" "2012" } ] "species" [ "Al" "Mn" "Pd" ] "title" "EAM potential (LAMMPS cubic hermite tabulation) for the Al-Mn-Pd system developed by Schopf et al. (2012) v000" }