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{"creator" "Ronald E. Miller"
"content-origin" "LAMMPS package 22-Sep-2017"
"contributor-id" "fa1c5480-8f03-4349-95c1-96c205a7a333"
"description" "Indium phosphide is investigated using molecular dynamics (MD) simulations and density-functional theory calculations. MD simulations use a proposed effective interaction potential for InP fitted to a selected experimental dataset of properties. The potential consists of two- and three-body terms that represent atomic-size effects, charge–charge, charge–dipole and dipole–dipole interactions as well as covalent bond bending and stretching. Predictions are made for the elastic constants as a function of density and temperature, the generalized stacking fault energy and the low-index surface energies."
"doi" "10.25950/a96d2c32"
"domain" "openkim.org"
"extended-id" "Sim_LAMMPS_Vashishta_BranicioRinoGan_2009_InP__SM_090647175366_000"
"kim-api-version" "2.1"
"maintainer-id" "fa1c5480-8f03-4349-95c1-96c205a7a333"
"simulator-potential" "vashishta"
"potential-type" "vashishta"
"publication-year" "2019"
"simulator-name" "LAMMPS"
"source-citations" [{"author" "Branicio, Paulo Sergio and Rino, Jos{\\'{e}} Pedro and Gan, Chee Kwan and Tsuzuki, H{\\'{e}}lio"
"doi" "10.1088/0953-8984/21/9/095002"
"journal" "Journal of Physics: Condensed Matter"
"month" "jan"
"number" "9"
"pages" "095002"
"publisher" "{IOP} Publishing"
"recordkey" "SM_090647175366_000a"
"recordprimary" "recordprimary"
"recordtype" "article"
"title" "Interaction potential for indium phosphide: a molecular dynamics and first-principles study of the elastic constants, generalized stacking fault and surface energies"
"url" "https://doi.org/10.1088/0953-8984/21/9/095002"
"volume" "21"
"year" "2009"}]
"species" ["In" "P"]
"title" "LAMMPS Vashishta potential for the In-P system developed by Branicio et al. (2009) v000"}
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