About this Abstract |
Meeting |
MS&T22: Materials Science & Technology
|
Symposium
|
Glasses and Optical Materials: Current Issues and Functional Applications
|
Presentation Title |
Oxygen Triclusters and Five-Coordinated Alumina Species in Calcium-aluminosilicate Glasses |
Author(s) |
Sierra Rose Astle, Rebecca Welch, John Mauro |
On-Site Speaker (Planned) |
Sierra Rose Astle |
Abstract Scope |
Calcium aluminosilicate glasses are technologically important for
liquid displays and other optical devices. Despite their presence in industrially relevant applications, the short-range structure for this glass system is widely debated. This work explores the formation of debated structural units such as oxygen triclusters and five-coordinated alumina species. Molecular dynamics was used to study various compositions at different liquidus temperatures to understand how thermodynamics and kinetics impact the formation of such species. Results show a formation of oxygen triclusters with limited five-coordinated alumina despite what is expected experimentally. A preliminary statistical mechanics model was applied to the system to predict the formation of structural units for any given composition within the glass system. |