Geske, Julian ; Drossel, Barbara ; Vogel, Michael (2016)
Fragile-to-strong transition in liquid silica.
In: AIP Advances, 6 (3)
doi: 10.1063/1.4945445
Artikel, Bibliographie
Dies ist die neueste Version dieses Eintrags.
Kurzbeschreibung (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.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2016 |
| Autor(en): | Geske, Julian ; Drossel, Barbara ; Vogel, Michael |
| Art des Eintrags: | Bibliographie |
| Titel: | Fragile-to-strong transition in liquid silica |
| Sprache: | Englisch |
| Publikationsjahr: | 31 März 2016 |
| Ort: | New York, NY |
| Verlag: | AIP Publishing |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | AIP Advances |
| Jahrgang/Volume einer Zeitschrift: | 6 |
| (Heft-)Nummer: | 3 |
| DOI: | 10.1063/1.4945445 |
| URL / URN: | http://scitation.aip.org/content/aip/journal/adva/6/3/10.106... |
| Kurzbeschreibung (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. |
| ID-Nummer: | 035131 |
| Zusätzliche Informationen: | A correction has been published: https://doi.org/10.1063/1.4950774 |
| Fachbereich(e)/-gebiet(e): | 05 Fachbereich Physik 05 Fachbereich Physik > Institut für Festkörperphysik (2021 umbenannt in Institut für Physik Kondensierter Materie (IPKM)) 05 Fachbereich Physik > Institut für Festkörperphysik (2021 umbenannt in Institut für Physik Kondensierter Materie (IPKM)) > Molekulare Dynamik in kondensierter Materie 05 Fachbereich Physik > Institut für Festkörperphysik (2021 umbenannt in Institut für Physik Kondensierter Materie (IPKM)) > Statistische Physik und komplexe Systeme 05 Fachbereich Physik > Institut für Festkörperphysik (2021 umbenannt in Institut für Physik Kondensierter Materie (IPKM)) > Theoretische Festkörperphysik |
| Hinterlegungsdatum: | 02 Nov 2016 14:43 |
| Letzte Änderung: | 18 Jun 2024 11:57 |
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Verfügbare Versionen dieses Eintrags
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Fragile-to-strong transition in liquid silica. (deposited 07 Jul 2016 13:05)
- Fragile-to-strong transition in liquid silica. (deposited 02 Nov 2016 14:43) [Gegenwärtig angezeigt]
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