{"content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/system/Ni-Ti/#Ni-Ti)" "contributor-id" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77" "description" "New interatomic potentials for the Ti, Ni, and the binary Ti-Ni system developed based on the second nearest-neighbor modified embedded-atom method (2NN-MEAM) formalism. These potentials were fit to melting points, latent heats, the binary phase diagrams for the Ti-rich and Ni-rich regions, and the liquid phase enthalpy of mixing for binary alloys. Therefore they are particularly suited for calculations of crystal-melt (CM) interface thermodynamic and transport properties. The accuracy of the potentials for pure Ti and pure Ni were tested against both 0 K and high-temperature properties by comparing various properties obtained from experiments or density functional theory calculations, including structural properties, elastic constants, point-defect properties, surface energies, temperatures, and enthalpies of phase transformations, and diffusivity and viscosity in the liquid phase. Ti-Ni's fitted binary potential was also tested against various non-fitted properties at 0 K and high temperatures, including lattice parameters, formation energies of different intermetallic compounds, and the temperature dependence of liquid density at various concentrations." "developer" ["2b254252-8c62-453e-b943-f871475e12e7" "00bb24bb-eed3-4802-b053-902012c4908a" "05936d64-2312-402a-9873-5b6799e9f6db" "53e43133-8a1e-4eba-b421-baa3cfca1621" "bd5f39a2-a3c1-4c18-a3cf-6e6adc9e3b0e"] "doi" "10.25950/99d5edff" "domain" "openkim.org" "executables" [] "extended-id" "MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_000" "kim-api-version" "2.2" "maintainer-id" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77" "model-driver" "MEAM_LAMMPS__MD_249792265679_000" "potential-type" "meam" "publication-year" "2021" "source-citations" [{"author" "Kavousi, Sepideh and Novak, Brian R. and Baskes, Michael I. and Asle Zaeem, Mohsen and Moldovan, Dorel" "doi" "10.1088/1361-651x/ab580c" "journal" "Modelling and Simulation in Materials Science and Engineering" "month" "Dec" "note" "" "number" "1" "pages" "015006" "recordkey" "MO_050461957184_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Modified embedded-atom method potential for high-temperature crystal-melt properties of Ti{\\textendash}Ni alloys and its application to phase field simulation of solidification" "volume" "28" "year" "2019"}] "species" ["Ni" "Ti"] "title" "MEAM potential for Ni-Ti alloys developed by Kavousi et al, (2019) v000"}