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Meeting 2025 TMS Annual Meeting & Exhibition
Symposium AI/Data Informatics: Computational Model Development, Verification, Validation, and Uncertainty Quantification
Presentation Title A Generalizable, Accelerated, and Interpretable Artificial Intelligence Framework for Predicting Evolution of Materials Microstructure
Author(s) Benjamin Rhoads, Abigail Hogue, Samrat Choudhury
On-Site Speaker (Planned) Benjamin Rhoads
Abstract Scope The primary emphasis of recent machine learning (ML) tools to predict microstructure evolution in materials is focused on achieving a high predictive accuracy of the structure and property with limited focus on discovering new underlying physics. Further, these ML models for structural evolution can only interpolate for time steps the models has been trained on, as there are no fundamental governing equations in these models. In this project, we present a graph neural network based interpretable ML framework to extract underlying physics during microstructure evolution along with predicting the future evolution of microstructure and material properties beyond the time domain of which the ML-model is trained. Statistical information is extracted from microstructure data to determine equations that govern the evolution of the microstructure. Later a deep neural network is trained along with physics equations determined above to predict the microstructure evolution for time steps beyond the training data.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Modeling and Simulation, Machine Learning

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