{"content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/entry/2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C#FeMnSiC)"
 "contributor-id" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77"
 "description" "The MEAM potential for the Fe, Mn, Si, and C system is developed by employing a hierarchical multiscale modeling paradigm to simulate low-alloy steels. Experimental information alongside first-principles calculations based on Density Functional Theory served as calibration data to develop and upscale the potential. The cohesive energy, lattice parameters, elastic constants, and vacancy and interstitial formation energies are used as target data for calibrating the single element potentials. The heat of formation and elastic constants of binary compounds and substitutional and interstitial formation energies serve as binary potential calibration data, while substitutional and interstitial pair binding energies aid in developing the ternary potential. Molecular dynamics simulations employing this model predict the thermal expansion coefficient, heat capacity, self-diffusion coefficients, and stacking fault energy for steel alloys comparable to those reported in the literature.\n               \nNOTE: The parameters submitted with the journal article as supplementary material have a small error. The paramter files included with the KIM model are correct."
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 "doi" "10.25950/96a57792"
 "domain" "openkim.org"
 "executables" []
 "extended-id" "MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001"
 "kim-api-version" "2.2"
 "maintainer-id" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77"
 "model-driver" "MEAM_LAMMPS__MD_249792265679_001"
 "potential-type" "meam"
 "publication-year" "2021"
 "source-citations" [{"author" "Aslam, I. and Baskes, M.I. and Dickel, D.E. and Adibi, S. and Li, B. and Rhee, H. and {Asle Zaeem}, M. and Horstemeyer, M.F."
                      "doi" "10.1016/j.mtla.2019.100473"
                      "journal" "Materialia"
                      "month" ""
                      "note" ""
                      "number" ""
                      "pages" "100473"
                      "recordkey" "MO_427873955970_001a"
                      "recordprimary" "recordprimary"
                      "recordtype" "article"
                      "title" "Thermodynamic and kinetic behavior of low-alloy steels: An atomic level study using an {F}e-{M}n-{S}i-{C} modified embedded atom method ({MEAM}) potential"
                      "volume" "8"
                      "year" "2019"}]
 "species" ["Fe" "Mn" "Si" "C"]
 "title" "MEAM Potential for the Fe-Mn-Si-C system developed by Aslam et al. (2019) v001"}