{"content-origin" "LAMMPS package 22-Sep-2017"
 "content-other-locations" "https://openkim.org/id/Sim_LAMMPS_MEAM_HennigLenoskyTrinkle_2008_Ti__SM_318953488749_000"
 "contributor-id" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77"
 "description" "A description of the martensitic transformations between the alpha, beta, and omega phases of titanium that includes nucleation and growth requires an accurate classical potential. Optimization of the parameters of a modified embedded atom potential to a database of density-functional calculations yields an accurate and transferable potential as verified by comparison to experimental and density-functional data for phonons, surface and stacking fault energies, and energy barriers for homogeneous martensitic transformations. Molecular-dynamics simulations map out the pressure-temperature phase diagram of titanium. For this potential, the martensitic phase transformation between a and 8 appears at ambient pressure and 1200 K, between alpha and omega at ambient conditions, between beta and omega at 1200 K and pressures above 8 GPa, and the triple point occurs at 8 GPa and 1200 K. Molecular-dynamics explorations of the kinetics of the martensitic alpha-omega transformation show a fast-moving interface with low interfacial energy of 30 meV/angstrom(2). The potential is applied to the study of defects and phase transformations of Ti."
 "developer" ["12bdc01d-6ee6-4c3e-adcf-4d4ce7cf37ae"
              "57339548-c8c4-4b8b-a24b-6cecf2787096"
              "44969c60-361d-4f11-87b8-6a5e35597d34"
              "ce543564-0807-45d9-bccc-e81d0caee415"
              "3c9fcc52-c8b0-4b24-af3c-693e56879db0"]
 "doi" "10.25950/6c67bf98"
 "domain" "openkim.org"
 "executables" []
 "extended-id" "MEAM_LAMMPS_HennigLenoskyTrinkle_2008_Ti__MO_520569947398_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" "Hennig, R. G. and Lenosky, T. J. and Trinkle, D. R. and Rudin, S. P. and Wilkins, J. W."
                      "doi" "10.1103/PhysRevB.78.054121"
                      "journal" "Phys. Rev. B"
                      "month" "Aug"
                      "note" ""
                      "number" "5"
                      "pages" "054121"
                      "recordkey" "MO_520569947398_000a"
                      "recordprimary" "recordprimary"
                      "recordtype" "article"
                      "title" "Classical potential describes martensitic phase transformations between the $\\\\upalpha$, $\\\\upbeta$,  and $\\\\upomega$ titanium phases"
                      "volume" "78"
                      "year" "2008"}]
 "species" ["Ti"]
 "title" "MEAM potential for Ti developed by Hennig et al. (2008) v000"}