{ "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Al.html)" "contributor-id" "58ffc68c-c4b6-4972-a9dd-ecc48374e731" "description" "EAM potential developed by Winey, Kubota and Gupta (Modelling Simul. Mater. Sci. Eng. v 17, 055004, 2009; MSMSE, v 18, 029801, 2010) for shock compression of aluminum at room and somewhat higher temperatures." "developer" [ "dcb2f1a5-1f4a-4c59-b409-8a56096fe9e2" "2c7a27ad-da12-42b2-a717-ca3291eac45e" "aad04f37-2f65-4b06-b6ac-5bdda2baf419" ] "disclaimer" "Model was fit to room temperature properties and extrapolated, classical (i.e. non-quantum) low temperature properties. The intended application is for shock compression simulations, but validation against shock pressure conditions is limited. The model appears to provide accurate results in the elastic shock regime (i.e. pressure ~ 5 to 10 GPa), as documented in the paper by Zimmerman, Winey and Gupta (Phys. Rev. B, 2011). Behavior at higher pressures and in the elastic-plastic regime is unknown." "doi" "10.25950/23542694" "domain" "openkim.org" "extended-id" "EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005" "kim-api-version" "2.0" "maintainer-id" "58ffc68c-c4b6-4972-a9dd-ecc48374e731" "model-driver" "EAM_Dynamo__MD_120291908751_005" "potential-type" "eam" "publication-year" "2018" "source-citations" [ { "author" "J M Winey and Alison Kubota and Y M Gupta" "doi" "10.1088/0965-0393/18/2/029801" "journal" "Modelling and Simulation in Materials Science and Engineering" "number" "2" "pages" "029801" "recordkey" "MO_149316865608_005a" "recordtype" "article" "title" "Thermodynamic approach to determine accurate potentials for molecular dynamics simulations: thermoelastic response of aluminum" "volume" "18" "year" "2010" } { "author" "J M Winey and Alison Kubota and Y M Gupta" "doi" "10.1088/0965-0393/17/5/055004" "journal" "Modelling and Simulation in Materials Science and Engineering" "number" "5" "pages" "055004" "recordkey" "MO_149316865608_005b" "recordprimary" "recordprimary" "recordtype" "article" "title" "A thermodynamic approach to determine accurate potentials for molecular dynamics simulations: thermoelastic response of aluminum" "volume" "17" "year" "2009" } { "author" "Zimmerman, J. A. and Winey, J. M. and Gupta, Y. M." "doi" "10.1103/PhysRevB.83.184113" "issue" "18" "journal" "Physical Review B" "month" "May" "numpages" "7" "pages" "184113" "publisher" "American Physical Society" "recordkey" "MO_149316865608_005c" "recordtype" "article" "title" "Elastic anisotropy of shocked aluminum single crystals: Use of molecular dynamics simulations" "volume" "83" "year" "2011" } ] "species" [ "Al" ] "title" "EAM potential (LAMMPS cubic hermite tabulation) for Al for shock compression at room and higher temperatures developed by Winey, Kubota and Gupta (2010) v005" }