{ "content-origin" "\u201cAtomistic Origin of Brittle Failure of Boron Carbide from Large-Scale Reactive Dynamics Simulations: Suggestions toward Improved Ductility\u201d\u2028\u2002\u2002\u2002\u2002\u2002\n\nDOI: 10.1103/PhysRevLett.115.105501" "contributor-id" "532a2229-d730-4ca0-8d19-b9aede2e5e10" "description" "ReaxFF potential for shock/non-equilibrium studies of boron carbide" "developer" [ "1e4093bf-9be2-4088-8afd-7f5938ef482c" "9add6d8b-9f44-444a-84fa-6c3cc482606b" ] "doi" "10.25950/d253fc36" "domain" "openkim.org" "executables" [] "extended-id" "Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000" "kim-api-version" "2.2" "maintainer-id" "532a2229-d730-4ca0-8d19-b9aede2e5e10" "potential-type" "reax" "publication-year" "2023" "run-compatibility" "portable-models" "simulator-name" "LAMMPS" "simulator-potential" "reaxff" "source-citations" [ { "author" "An, Qi and Goddard, William A." "doi" "10.1103/PhysRevLett.115.105501" "issue" "10" "journal" "Phys. Rev. Lett." "month" "aug" "numpages" "5" "pages" "105501" "publisher" "American Physical Society" "recordkey" "SM_389039364091_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Atomistic Origin of Brittle Failure of Boron Carbide from Large-Scale Reactive Dynamics Simulations: Suggestions toward Improved Ductility" "url" "https://link.aps.org/doi/10.1103/PhysRevLett.115.105501" "volume" "115" "year" "2015" } ] "species" [ "B" "C" ] "title" "LAMMPS ReaxFF potential for B4C developed by An and Goddard (2015) v000" }