{ "contributor-id" "b645a915-d1fa-4155-a3da-65469f990011" "description" "Morse potential parameterization for Ar (quintic smoothing). The low-temperature limits of the thermal expansivity, specific heat, and Gr\u00fcneisen parameter of solid argon, krypton, and xenon are calculated from a quasiharmonic two-body central-force model. The form of our interatomic potential and its predicted thermal and elastic properties are in good agreement with interatomic potentials for argon and krypton derived from solid-state properties plus gas viscosities, second-virial coefficients, and molecular-beam scattering data." "developer" [ "23d1866d-3c1b-4089-8c8d-e3c4608e498f" ] "disclaimer" "None" "doi" "10.25950/cc96bd7f" "domain" "openkim.org" "extended-id" "Morse_QuinticSmoothed_Jelinek_1972_Ar__MO_908645784389_002" "kim-api-version" "2.0" "maintainer-id" "b645a915-d1fa-4155-a3da-65469f990011" "model-driver" "Morse_QuinticSmoothed__MD_093895395358_003" "potential-type" "morse" "publication-year" "2019" "source-citations" [ { "author" "Jelinek, G. E." "doi" "10.1103/PhysRevB.5.3210" "issue" "8" "journal" "Physical Review B" "month" "Apr" "pages" "3210--3217" "publisher" "American Physical Society" "recordkey" "MO_908645784389_002a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Properties of Crystalline Argon, Krypton, and Xenon Based Upon the {B}orn-{H}uang Method of Homogeneous Deformations. {III}. {T}he Low-Temperature Limit" "volume" "5" "year" "1972" } ] "species" [ "Ar" ] "title" "Morse potential (quintic smoothing) for Ar developed by Jelinek (1972) v002" }