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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.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

3D Mapping of Glass Indentation Stress Fields
Continuation of the Investigation of Double Ion-exchange in Mixed Alkali-lime Silicate Glasses
D-13: Flow Dissolution of Lithium Disilicate Glass under Aqueous Conditions
D-15: Natural Glasses – Findings from an Undergraduate Project
D-17: Sulfur Blue Glasses - S3- Anion Charge Transfer Transitions
D-18: Tungsten Borate – A Replacement for Lead in Glass
D-19: Unusual High Oxidation States of Transition Metal Ions in Silicate Glasses of High Optical Basicity: Trivalent Co3+ and Ni3+
Effect of Ion-exchange Strengthening on the Mechanical Behavior of Sodium Aluminophosphosilicate Glass
Effect of Modifier Cation Type on Structure and Nickel Speciation in Alkali Borosilicate Glasses
Glass Structure-Terahertz Properties Relationship: Power-Law Model and Deviations in Sodium Borosilicate, Tellurite, and Chalcogenide Glass Families
Intermediate-range Order in Organic Glasses
Ionic Glasses: An Emerging Separate Class of Amorphous Materials with Unique Topology and Dynamic Properties
Lithium-iron Silicate Glasses as Simulations of High-Fe Nuclear Waste Glass
MD Simulations of SLS Batch Melting
Multispectroscopic Study of Lead Borate Glasses
Oxygen Triclusters and Five-Coordinated Alumina Species in Calcium-aluminosilicate Glasses
Structural Relaxation Mechanism of Anisotropic Alkali Metaphosphate Glass
Structure-property Relationship in Mixed Oxy-sulfide Glassy Solid Electrolyte Material: 0.58Li2S + 0.42 [(1–y­)SiS2 + yLiPO3]
The Dissolution of Lithium Disilicate Glass under Ultrasonic Cavitation
The Problem with Lead
Uncovering Hidden Glasses
Utilizing Electrical Impedance Spectroscopy (E.I.S.) to Observe In-situ Phase Changes in Lithium Diborate Glass Undergoing Thermal Relaxation

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