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  Temperature-dependent defect dynamics in the network glass SiO2

Vollmayr-Lee, K., & Zippelius, A. (2013). Temperature-dependent defect dynamics in the network glass SiO2. Physical Review E, 88: 052145, pp. 052145-1-052145-9. doi:10.1103/PhysRevE.88.052145.

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 Urheber:
Vollmayr-Lee, Katharina, Autor
Zippelius, Annette1, Autor           
Affiliations:
1Fellow Group Polymers, complex fluids and disordered systems, Max Planck Institute for Dynamics and Self-Organization, Max Planck Society, ou_2063298              

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 Zusammenfassung: We investigate the long time dynamics of a strong glass former, SiO2, below the glass transition temperature by averaging single-particle trajectories over time windows which comprise roughly 100 particle oscillations. The structure on this coarse-grained time scale is very well defined in terms of coordination numbers, allowing us to identify ill-coordinated atoms, which are called defects in the following. The most numerous defects are O-O neighbors, whose lifetimes are comparable to the equilibration time at low temperature. On the other hand, SiO and OSi defects are very rare and short lived. The lifetime of defects is found to be strongly temperature dependent, consistent with activated processes. Single-particle jumps give rise to local structural rearrangements. We show that in SiO2 these structural rearrangements are coupled to the creation or annihilation of defects, giving rise to very strong correlations of jumping atoms and defects.

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Sprache(n): eng - English
 Datum: 2013-11-27
 Publikationsstatus: Erschienen
 Seiten: -
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Interne Begutachtung
 Identifikatoren: eDoc: 673941
URI: 10.1103/PhysRevE.88.052145
DOI: 10.1103/PhysRevE.88.052145
 Art des Abschluß: -

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Titel: Physical Review E
  Alternativer Titel : Phys. Rev. E
Genre der Quelle: Zeitschrift
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Affiliations:
Ort, Verlag, Ausgabe: -
Seiten: - Band / Heft: 88 Artikelnummer: 052145 Start- / Endseite: 052145-1 - 052145-9 Identifikator: -