{ "title" "EAM inter-atomic potential for Al developed for shock compression at room and higher temperatures" "extended-id" "EAM_Dynamo_Winey_Kubota_Al__MO_149316865608_004" "model-driver" "EAM_Dynamo__MD_120291908751_004" "species" [ "Al" ] "creator" "Jonathan A Zimmerman" "description" "This model is the EAM inter-atomic potential developed by Winey, Kubota and Gupta (Modelling Simul. Mater. Sci. Eng. v 17, 055004, 2009; MSMSE, v 18, 029801, 2010) developed for shock compression of Aluminum at room and somewhat higher temperatures." "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." "source-citations" [{"author" "J M Winey and Alison Kubota and Y M Gupta" "title" "Thermodynamic approach to determine accurate potentials for molecular dynamics simulations: thermoelastic response of aluminum" "journal" "Modelling and Simulation in Materials Science and Engineering" "volume" "18" "number" "2" "pages" "029801" "year" "2010" "doi" "https://doi.org/10.1088/0965-0393/18/2/029801" "recordtype" "article" "recordkey" "MO_149316865608_004a"} {"author" "J M Winey and Alison Kubota and Y M Gupta" "title" "A thermodynamic approach to determine accurate potentials for molecular dynamics simulations: thermoelastic response of aluminum" "journal" "Modelling and Simulation in Materials Science and Engineering" "volume" "17" "number" "5" "pages" "055004" "url" "http://stacks.iop.org/0965-0393/17/i=5/a=055004" "year" "2009" "recordtype" "article" "recordkey" "MO_149316865608_004b"} {"title" "Elastic anisotropy of shocked aluminum single crystals: Use of molecular dynamics simulations" "author" "Zimmerman, J. A. and Winey, J. M. and Gupta, Y. M." "journal" "Physical Review B" "volume" "83" "issue" "18" "pages" "184113" "numpages" "7" "year" "2011" "month" "May" "publisher" "American Physical Society" "doi" "10.1103/PhysRevB.83.184113" "url" "https://link.aps.org/doi/10.1103/PhysRevB.83.184113" "recordtype" "article" "recordkey" "MO_149316865608_004c"}] "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Al.html)" "contributor-id" "58ffc68c-c4b6-4972-a9dd-ecc48374e731" "maintainer-id" "58ffc68c-c4b6-4972-a9dd-ecc48374e731" "publication-year" "2018" "kim-api-version" "1.6" "domain" "openkim.org" }