Ionic self-diffusion and the glass transition anomaly in aluminosilicates

Atila A, Ouaskit S, Hasnaoui A (2020)

Publication Type: Journal article

Publication year: 2020

Journal

Physical Chemistry Chemical Physics Royal Society of Chemistry

Book Volume: 22

Pages Range: 17205-17212

Journal Issue: 30

DOI: 10.1039/d0cp02910f

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.

Authors with CRIS profile

Achraf Atila Professur für Datenbasierte Materialmodellierung

Additional Organisation(s)

Professur für Datenbasierte Materialmodellierung

Involved external institutions

University Hassan II Casablanca / جامعة الحسن الثانی دارالبیضاء MA Morocco (MA) Université Sultan Moulay Slimane MA Morocco (MA)

How to cite

APA:

Atila, A., Ouaskit, S., & Hasnaoui, A. (2020). Ionic self-diffusion and the glass transition anomaly in aluminosilicates. Physical Chemistry Chemical Physics, 22(30), 17205-17212. https://doi.org/10.1039/d0cp02910f

MLA:

Atila, Achraf, Said Ouaskit, and Abdellatif Hasnaoui. "Ionic self-diffusion and the glass transition anomaly in aluminosilicates." Physical Chemistry Chemical Physics 22.30 (2020): 17205-17212.

BibTeX: Download