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Meeting MS&T22: Materials Science & Technology
Symposium Ceramics and Glasses Modeling by Simulations and Machine Learning
Presentation Title A Physics Informed Machine Learning Approach to Predict Glass Forming Ability
Author(s) Collin Wilkinson, Cory Trivelpiece, Rebecca Welch, John Mauro
On-Site Speaker (Planned) Collin Wilkinson
Abstract Scope Predicting the liquid compositions that will vitrify at experimentally accessible quench rates remains one of the grand challenges in the field of condensed matter physics. This glass-forming ability can be quantified as the critical quench rate needed to suppress crystallization. Knowledge of this critical quench rate also informs which glass composition could be used for new applications. There have been several physical and empirical models presented in the literature to predict the critical quench rate/glass-forming ability. These models range from those theoretically derived to those quantified only through experimental characterization. In this work, we instead propose a new method to calculate the critical quench rate using the recently developed physical models combined with machine learning. The results are then compared to traditional glass-forming ability metrics.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Physics Informed Machine Learning Approach to Predict Glass Forming Ability
D-7: Development of Structural Descriptors to Predict Dissolution Rate of Volcanic Glasses: Molecular Dynamic Simulations
D-8: Molecular Dynamic Simulations of Polymer Derived Ceramics
Data-driven Prediction of Room Temperature Density of Multicomponent Silicate-based Glasses
Data Driven Design and Enhancement of Machinable Glass Ceramics
Developing ReaxFF for Simulation of Silicon Carbonitride Polymer-derived Ceramics
In-Silico Simulations of Polymer Pyrolysis
Machine Learning-Derived Atomistic Potentials for Y2Si2O7 and Yb2Si2O7
Machine Learning Defect Properties of Semiconductors
Machine Learning to Design and Discover Sustainable Cementitious Binders: Learning from Small Databases and Developing Closed-form Analytical Models
Molecular Dynamics Simulation of Tellurite Glasses
Molecular Dynamics Study of Domain Switching Dynamics in KNbO3 and BaTiO3
Natural Language Processing Aided Understanding of Material Science Literature
Pore-resolved Simulations of Chemical Vapor Infiltration in 3D Printed Preforms and the Kinetic Regimes
Predicting and Accessing Metastable Phases
Predicting the Dynamics of Atoms in Glass-Forming Liquids by a Surrogate Machine-Learned Simulator
Quantifying the Local Structure of Metallic Glass as a Function of Composition and Atomic Size
Using Machine Learning Empirical Potentials to Investigate Interdiffusion at Metal-Chalcogenide Alloy Interfaces

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