Computer Simulations of the Dynamics of Amorphous Silica

Jürgen Horbach, Walter Kob and Kurt Binder
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Jürgen Horbach: Johannes Gutenberg-University, Institute of Physics
Walter Kob: Johannes Gutenberg-University, Institute of Physics
Kurt Binder: Johannes Gutenberg-University, Institute of Physics

A chapter in High Performance Computing in Science and Engineering ’98, 1999, pp 186-195 from Springer

Abstract: Abstract We present the results of a large scale computer simulation we performed to investigate the dynamical properties of supercooled silica. We show that parallel supercomputers such as the CRAY-T3E are very well suited to solve these type of problems. We find that at low temperatures the transport properties such as the diffusion constants and the viscosity agree well with the experimental data. At high temperatures this simulation predicts that in the transport quantities significant deviations from the Arrhenius law should be observed. Finally we show that such types of simulations can be used to investigate also complex dynamical quantities, such as the dynamical structure factor, and that the wave-vector and frequency range accessible is significantly larger than the one of real experiments.

Keywords: Amorphous Silica; Diffusion Constant; Glass Ceramic; Mean Square Displacement; Supercooled Liquid (search for similar items in EconPapers)
Date: 1999
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-58600-2_20

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DOI: 10.1007/978-3-642-58600-2_20

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