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Meeting Materials Science & Technology 2020
Symposium Glasses, Optical Materials, and their Functional Applications: Current Issues in Science & Technology
Presentation Title 2020 Alfred R. Cooper Young Scholar Award Presentation: Beyond the Average: A Statistical Mechanical Exploration of Topological Fluctuations in Glass-Forming Systems
Author(s) Katelyn A. Kirchner
On-Site Speaker (Planned) Katelyn A. Kirchner
Abstract Scope The macroscopic properties of any material system are dictated by its atomic structure; however, the presence of structural and topological fluctuations dramatically alters the properties and performance of the material for a given application. Glass is unique in that it has a disordered atomic arrangement, meaning that the properties of glasses are based on statistical distributions rather than precisely known values. Up until this point, there have been no rigorous theories established to predict these statistical distributions. Glass properties have traditionally been represented as mean values, which do not fully represent the complexity of glass structure. This paper introduces a rigorous approach for quantifying fluctuations in glass structure which will enable scientists to improve their understanding of fundamental glass physics and chemistry. The model is first shown for arbitrary glassy systems to clarify the physical understanding and outline the general approach for calculating distributions of properties in disordered networks. The established framework is then applied to real glass-forming systems, specifically phosphates and silicates, where the microscopic structure, ability for atomic rearrangement, and thermodynamic properties are predicted and validated against experimental data. Results reveal that statistical mechanical modeling is an effective, computationally efficient approach to investigate structure-property relationships in disordered networks.
Proceedings Inclusion? Undecided


2020 Alfred R. Cooper Young Scholar Award Presentation: Beyond the Average: A Statistical Mechanical Exploration of Topological Fluctuations in Glass-Forming Systems
Cooper Distinguished Lecture: Exploring the Amorphous State of Matter by Roaming About the Network Building Blocks
Decoding Structure-Dynamics Correlations in SiO2 Supercooled Liquid by Machine Learning
Development of YAG-alumina Composites for the Lightening Applications
Effect of Nanoscale Phase Separation on the Fracture Behavior of Glasses: Toward Tough, Yet Transparent Glasses
Effect of Transition Metal Impurities on the Properties of ZnSe Single Crystals
Elucidating Defect Behaviors and Lithium Ion Diffusion Mechanisms in Solid State Electrolytes from Atomistic Computer Simulations
Enhanced Optical Nonlinearity in Bismuth Borosilicate Glass Dispersed with Eu2O3 Stabilized Gold Nanoparticles
Glasses beyond Megabar Pressures
Melt-Quenching vs. Sol-gel vs. Vapor Deposition vs. Irradiation: Influence of the Synthesis Method on the Structure of SiO2
Photo-elastic Confirmation of Fast Surface Relaxation of Silica Glasses in the Presence of Water
Relative Roles of O and Si in Crack Nucleation and Propagation Mechanisms in Amorphous Silica
Surface Reactivity of Multi-component Glasses
Terahertz Time-domain Spectroscopy of Glasses

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