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Meeting MS&T22: Materials Science & Technology
Symposium Materials Processing and Fundamental Understanding Based on Machine Learning and Data Informatics
Presentation Title Graph Neural Network Modeling of Deforming Polycrystals
Author(s) Darren C. Pagan
On-Site Speaker (Planned) Darren C. Pagan
Abstract Scope Here the applicability of using graph neural networks (GNNs) to predict grain-scale elastic response of polycrystalline metallic alloys is assessed. Using GNN surrogate models, the stresses within embedded grains in Low Solvus High Refractory Nickel (LSHR) Superalloy and Ti 7wt%Al (Ti-7Al) in uniaxial tension are predicted for both synthetic and measured 3D microstructures. A transfer learning approach is taken in which the GNN surrogate models are trained using crystal elasticity finite element modeling (FEM) simulations and then the trained surrogate models are used to predict the mechanical response of microstructures measured with high-energy X-ray diffraction microscopy (HEDM). The performance of using various microstructural and micromechanical descriptors for input nodal features to predict grain stresses is explored. The effects of elastic anisotropy on GNN model performance and outlooks for extension to plasticity will be discussed.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Addressing Data Needs for High Temperature Material Processing with Natural Language Processing
AI Driven Microscopic Analysis to Predict the Local Structure in Zirconia Ceramics
AI/ML-Driven Multi-Scale Modeling and Design of Structural Materials
B-5: Using Computer Vision and Machine Learning to Characterize Melt Pool Geometry in Additive Manufacturing
Comparison of Data Driven and Physics-informed Machine Learning Models for Temperature Prediction of Shear Assisted Processing and Extrusion
Composition and Property Prediction of Polymer-derived Silicon Oxycarbides
Computational and Machine Learning Studies of DNA-templated Dye Aggregate Design
Data-Driven Study of Shape Memory Behavior of Multi-component Ni-Ti Alloys
Graph Neural Network Modeling of Deforming Polycrystals
High-throughput Machine Learning Experiments with Graph Neural Networks for Predicting Abnormal Grain Growth in Polycrystalline Materials
Large Scale Atomistic Simulation of the B1-B4 Phase Transition of GaN with the Machine Learning Potential
Machine Learning Based Prediction of Cation Distribution in Complex Spinel Oxides as a Function of Processing Temperature
Machine Learning for Joint Quality Performance-determining Relationship between Intermetallic Properties and weld Microstructure of Al/steel Resistance Spot Welds
Microstructure Characterization and Reconstruction by Deep Learning Methodology
Unraveling the Process Fundamentals of Additive Friction Stir Deposition by Integrating Physics Simulation with Data-driven Approaches

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