Issue 10, 2005
From the journal:

Physical Chemistry Chemical Physics

Coupling of ion and network dynamics in lithium silicate glasses: a computer study†

Magnus Kunow*a  and  Andreas Heuer*a  

* Corresponding authors

a Institut für Physikalische Chemie and Sonderforschungsbereich 458, Westfälische Wilhelms-Universität, Corrensstraße 30, Münster, Germany
E-mail: kunow@uni-uenster.de, andheuer@uni-muenster.de

Abstract

We present a detailed analysis of the ion hopping dynamics and the related nearby oxygen dynamics in a lithium metasilicate glass via molecular dynamics simulation. For this purpose we have developed numerical techniques to identify ion hops and to sample and average dynamic information of the particles involved. This leads to an instructive insight into the microscopic interplay of ions and network. It turns out that the cooperative dynamics of lithium and oxygen can be characterized as a sliding door mechanism. It is rationalized why the local network fluctuations are of utmost importance for the lithium dynamics.

Graphical abstract: Coupling of ion and network dynamics in lithium silicate glasses: a computer study

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Article information

DOI
https://doi.org/10.1039/B501265A
Article type
Paper
Submitted
26 Jan 2005
Accepted
12 Apr 2005
First published
26 Apr 2005

Phys. Chem. Chem. Phys., 2005,7, 2131-2137

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Coupling of ion and network dynamics in lithium silicate glasses: a computer study

M. Kunow and A. Heuer, Phys. Chem. Chem. Phys., 2005, 7, 2131 DOI: 10.1039/B501265A

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