{"content-origin" "Files are provided by Arpit Agrawal and Reza Mirzaeifar (Virginia Tech) on Jan 27, 2021, and posted with their permission."
 "contributor-id" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77"
 "description" "A 2NN MEAM (second nearest-neighbor modified embedded atomic method) potential for the copper and carbon atom interaction is developed. Since crystal structures like B1 or B2 are not experimentally available for the Cu-C system, first-principle calculations are used to determine the reference structure and its elastic constants in this work. The B1 and B2 structure of Cu-C has positive formation energy, but B1 is dynamically stable. Accordingly, the B1 crystal structure is used as the reference structure for the Cu-C system to develop the interatomic potential. The current potential agrees reasonably well for phonon dispersion frequencies, stacking fault energies, and the atomic forces with the available experimental data and first-principle calculations. This potential is utilized to study the mechanical properties of copper-graphene composites subjected to uniaxial loading. Our results show that adding graphene to a defect-free Cu crystal weakens the metallic matrix's mechanical properties. However, when the graphene is embedded into a Cu matrix with some defects, it can significantly improve the polycrystalline Cu's mechanical properties."
 "developer" ["17835494-3ee7-439c-83af-00a54908117f"
              "b15d50c3-82ac-479a-b3bb-2a11569c2c6d"]
 "doi" "10.25950/ba346aba"
 "domain" "openkim.org"
 "executables" []
 "extended-id" "MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_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" "Agrawal, A. and Mirzaeifar, R."
                      "doi" "10.1016/j.commatsci.2020.110204"
                      "journal" "Computational Materials Science"
                      "month" ""
                      "note" ""
                      "number" ""
                      "pages" "110204"
                      "recordkey" "MO_028979335952_001a"
                      "recordprimary" "recordprimary"
                      "recordtype" "article"
                      "title" "Copper-graphene composites; developing the {MEAM} potential and investigating their mechanical properties"
                      "volume" "188"
                      "year" "2021"}]
 "species" ["Cu" "C"]
 "title" "MEAM potential for Cu-C composites developed by Agrawal and Mirzaeifar (2021) v001"}