Issue 30, 2020

Ionic self-diffusion and the glass transition anomaly in aluminosilicates

Abstract

The glass transition temperature (Tg) is the temperature after which a supercooled liquid undergoes a dynamical arrest. Usually, glass network modifiers (e.g., Na2O) affect the behavior of Tg. However, in aluminosilicate glasses, the effect of different modifiers on Tg is still unclear and shows an anomalous behavior. Here, based on molecular dynamics simulations, we show that Tg decreases with increasing charge balancing cation field strength (FS) in the aluminosilicate glasses, which is an anomalous behavior as compared to other oxide glasses. The results show that the origins of this anomaly come from the dynamics of the supercooled liquid above Tg, which in turn is correlated to pair excess entropy. Our results deepen our understanding of the effect of different modifiers on the properties of the aluminosilicate glasses.

Graphical abstract: Ionic self-diffusion and the glass transition anomaly in aluminosilicates

Supplementary files

Article information

Article type
Paper
Submitted
29 May 2020
Accepted
08 Jul 2020
First published
08 Jul 2020

Phys. Chem. Chem. Phys., 2020,22, 17205-17212

Ionic self-diffusion and the glass transition anomaly in aluminosilicates

A. Atila, S. Ouaskit and A. Hasnaoui, Phys. Chem. Chem. Phys., 2020, 22, 17205 DOI: 10.1039/D0CP02910F

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