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Fragile-to-strong transition in liquid silica

Geske, Julian ; Drossel, Barbara ; Vogel, Michael (2016)
Fragile-to-strong transition in liquid silica.
In: AIP Advances, 6 (3)
doi: 10.1063/1.4945445
Article, Bibliographie

This is the latest version of this item.

Abstract

We investigate anomalies in liquid silica with molecular dynamics simulations and present evidence for a fragile-to-strong transition at around 3100 K-3300 K. To this purpose, we studied the structure and dynamical properties of silica over a wide temperature range, finding four indicators of a fragile-to-strong transition. First, there is a density minimum at around 3000 K and a density maximum at 4700 K. The turning point is at 3400 K. Second, the local structure characterized by the tetrahedral order parameter changes dramatically around 3000 K from a higher-ordered, lower-density phase to a less ordered, higher-density phase. Third, the correlation time τ changes from an Arrhenius behavior below 3300 K to a Vogel-Fulcher-Tammann behavior at higher temperatures. Fourth, the Stokes-Einstein relation holds for temperatures below 3000 K, but is replaced by a fractional relation above this temperature. Furthermore, our data indicate that dynamics become again simple above 5000 K, with Arrhenius behavior and a classical Stokes-Einstein relation.

Item Type: Article
Erschienen: 2016
Creators: Geske, Julian ; Drossel, Barbara ; Vogel, Michael
Type of entry: Bibliographie
Title: Fragile-to-strong transition in liquid silica
Language: English
Date: 31 March 2016
Place of Publication: New York, NY
Publisher: AIP Publishing
Journal or Publication Title: AIP Advances
Volume of the journal: 6
Issue Number: 3
DOI: 10.1063/1.4945445
URL / URN: http://scitation.aip.org/content/aip/journal/adva/6/3/10.106...
Abstract:

We investigate anomalies in liquid silica with molecular dynamics simulations and present evidence for a fragile-to-strong transition at around 3100 K-3300 K. To this purpose, we studied the structure and dynamical properties of silica over a wide temperature range, finding four indicators of a fragile-to-strong transition. First, there is a density minimum at around 3000 K and a density maximum at 4700 K. The turning point is at 3400 K. Second, the local structure characterized by the tetrahedral order parameter changes dramatically around 3000 K from a higher-ordered, lower-density phase to a less ordered, higher-density phase. Third, the correlation time τ changes from an Arrhenius behavior below 3300 K to a Vogel-Fulcher-Tammann behavior at higher temperatures. Fourth, the Stokes-Einstein relation holds for temperatures below 3000 K, but is replaced by a fractional relation above this temperature. Furthermore, our data indicate that dynamics become again simple above 5000 K, with Arrhenius behavior and a classical Stokes-Einstein relation.

Identification Number: 035131
Additional Information:

A correction has been published: https://doi.org/10.1063/1.4950774

Divisions: 05 Department of Physics
05 Department of Physics > Institute for condensed matter physics (2021 merged in Institute for Condensed Matter Physics)
05 Department of Physics > Institute for condensed matter physics (2021 merged in Institute for Condensed Matter Physics) > Molekulare Dynamik in kondensierter Materie
05 Department of Physics > Institute for condensed matter physics (2021 merged in Institute for Condensed Matter Physics) > Statistische Physik und komplexe Systeme
05 Department of Physics > Institute for condensed matter physics (2021 merged in Institute for Condensed Matter Physics) > Theoretische Festkörperphysik
Date Deposited: 02 Nov 2016 14:43
Last Modified: 18 Jun 2024 11:57
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