title: The glass transition and diffusion in simulated liquid TiO2.
abstract: The glass transition and diffusion in liquid TiO2have been studied in a model containing 3000 atoms via molecular dynamics (MD) simulation. The density dependence of the glass transition temperature, Tg, of liquid TiO2has been found and is discussed. Diffusion of atomic species in 3.80 g cm-3TiO2models has been investigated over a wide temperature range from 2100 to 7000 K. We found that the temperature dependence of the diffusion constant of atomic species follows an Arrhenius law at relatively low temperatures above the melting point, and at higher temperatures it deviates from an Arrhenius law. Differences between the structures of amorphous TiO2models at three different densities in the range from 3.80 to 4.20 g cm-3have been found and are discussed. In addition, a transition from a low-density liquid (ldl) form to a high-density liquid (hdl) form was found and is discussed.
authors.affiliation: Department of Physics, Institute of Technology, National University of HochiMinh City, 268 Ly Thuong Kiet Street, District 10, HochiMinh City, Vietnam.
authors.forename: Vo Van
authors.initials: VV
authors.lastname: Hoang