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.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
C. A. Angell, J. H. R. Clarke and L. V. Woodcock, Adv. Chem. Phys. 48, 397 (1981).
W. Kob, p.1 in Vol. III Annual Reviews of Computational Physics,Ed. D. Stauffer, (World Scientific, Singapore, 1995).
K. Binder and W. Kob, to appear in Analysis of Composition and Structure of Glass, and Glass Ceramics Eds.: H. Bach and D. Krause (Springer, Berlin, 1998).
W. Kob and K. Binder, to appear in Analysis of Composition and Structure of Glass, and Glass Ceramics Eds.: H. Bach and D. Krause (Springer, Berlin, 1998).
B. W. van Beest, G. J. Kramer, and R. A. van Santen, Phys. Rev. Lett. 64 1955 (1990).
D. Frenkel and B. Smit: Understanding Molecular Simulation - From Algorithms to Applications (Academic Press, San Diego, 1996)
K. Vollmayr, W. Kob and K. Binder, Phys. Rev. B 54, 15808 (1996).
J. Horbach, W. Kob, K. Binder and C.A. Angell, Phys. Rev. E. 54,R5897 (1996).
J. Horbach, W. Kob and K. Binder, Phil. Mag. B 77, 297 (1998).
O. V. Mazurin, M. V. Streltsina, T. P. Shvaikoskaya: Handbook of Glass Data (Elsevier, Amsterdam, 1983) Part A.
J. C. Mikkelsen, Appl. Phys. Lett. 45, 1187 (1984).
G. Brébec, R. Seguin, C. Sella, J. Bevenot, J. C. Martin, Acta Metall. 28,327 (1980).
J. Horbach, Ph.D Thesis (Mainz University, 1998).
G. Urbain, Y. Bottinga, and P. Richet, Geochim. et Cosmochim. Acta 46,1061 (1982).
B. T. Poe, P.F. McMillan, D.C. Rubie, S. Chakraborty, J. Yarger, J. Diefenbacher, Science 276,1245 (1997).
J.-P. Hansen, I. R. McDonald: Theory of Simple Liquids (Academic, London, 1986)
A. Wischnewski and U. Buchenau (unpublished).
See, e.g., P. Benassi, M. Krisch, C. Masciovecchio, V. Mazzacurati, G. Monaco, G. Ruocco, F. Sette, and R. Verbeni, Phys. Rev. Lett. 77, 3835 (1996);
M. Foret, E. Courtens, R. Vacher, and J.-B. Suck, Phys. Rev. Lett. 77, 3831 (1996);
see also papers in “Proceedings of 6th International Workshop on Disordered Systems, Andalo, March 3rd-6th, 1997“, Phil. Mag. B 77 (1998).
J. Horbach, W. Kob and K. Binder, J. Non-Crystal. Solids (in press).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1999 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
Horbach, J., Kob, W., Binder, K. (1999). Computer Simulations of the Dynamics of Amorphous Silica. In: Krause, E., Jäger, W. (eds) High Performance Computing in Science and Engineering ’98. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-58600-2_20
Download citation
DOI: https://doi.org/10.1007/978-3-642-58600-2_20
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-63661-5
Online ISBN: 978-3-642-58600-2
eBook Packages: Springer Book Archive