Diffusion in simulated liquid GeO2 under pressure

✍ Scribed by Vo Van Hoang; Nguyen Huynh Tuan Anh; Hoang Zung

• Publisher: Elsevier Science
• Year: 2007
• Tongue: English
• Weight: 319 KB
• Volume: 394
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/j.physb.2007.02.005

✦ Synopsis

Diffusion in simulated liquid GeO 2 under pressure at different temperatures has been studied via isochore molecular dynamics (MD) simulation in a model containing 3000 particles with interatomic potentials that have weak Coulomb interaction and Morse-type shortrange interaction. Calculations were done in models at three different densities of 3.65, 5.90 and 7.90 g/cm 3 . After intensive testing we found that the temperature dependence of the diffusion constant of atomic species in liquid GeO 2 shows an Arrhenius law at relatively low temperatures, and at higher temperatures it shows a power law, D$(T-T c ) g , with an exception for models at a very high density of 7.90 g/cm 3 . Specific features of diffusion in liquid GeO 2 compared with those observed in other strong liquids such as SiO 2 or in other GeO 2 models have been observed and discussed.