The dynamics of silica melts under high pressure : mode-coupling theory results
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2008
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Horbach, Jürgen
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Journal of Physics: Condensed Matter. 2008, 20(24), pp. 244117. ISSN 0953-8984. eISSN 1361-648X. Available under: doi: 10.1088/0953-8984/20/24/244117
Zusammenfassung
The high-pressure dynamics of a computer-modelled silica melt is studied in the framework of the mode-coupling theory of the glass transition using static structure input from molecular dynamics computer simulation. The theory reproduces the experimentally known viscosity minimum (diffusivity maximum) as a function of density or pressure and explains it in terms of a corresponding minimum in its critical temperature. This minimum arises from a gradual change in the equilibrium static structure which shifts from being dominated by tetrahedral ordering to showing the cageing known from high-density liquids. The theory is in qualitative agreement with computer simulation results.
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530 Physik
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Soft matter, liquids and polymers, Condensed matter: structural, mechanical & thermal
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VOIGTMANN, Thomas, Jürgen HORBACH, 2008. The dynamics of silica melts under high pressure : mode-coupling theory results. In: Journal of Physics: Condensed Matter. 2008, 20(24), pp. 244117. ISSN 0953-8984. eISSN 1361-648X. Available under: doi: 10.1088/0953-8984/20/24/244117BibTex
@article{Voigtmann2008dynam-17445,
year={2008},
doi={10.1088/0953-8984/20/24/244117},
title={The dynamics of silica melts under high pressure : mode-coupling theory results},
number={24},
volume={20},
issn={0953-8984},
journal={Journal of Physics: Condensed Matter},
author={Voigtmann, Thomas and Horbach, Jürgen},
note={Article Number: 244117}
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