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Meeting MS&T24: Materials Science & Technology
Symposium Machine Learning and Simulations
Presentation Title Graph Neural Networks for Rapid Continuum Damage Modeling of Semi-Crystalline Polymers
Author(s) Ali Kassab, Georges Ayoub
On-Site Speaker (Planned) Ali Kassab
Abstract Scope Accurately modeling the mechanical behavior of polymers requires computationally intensive, high-fidelity continuum damage mechanics kinematics. To address the significant computational demands and time-consuming nature, our research introduces a graph neural network-based surrogate model. This approach efficiently emulates finite element analysis of semicrystalline polymers, integrating complex mesh geometry and physical inputs—coordinates, stresses, displacements, material properties, and node connectivity. It not only enhances accuracy and reduces the amount of data required for training but also significantly accelerates the modeling process, which is particularly beneficial in industrial applications where time is critical. The model is trained on 500 simulations with specific material parameters controlling the general kinematics of elasticity, yield strength, and hardening in a continuum damage mechanics model. While the physics-based model offers more complexity and variability in material properties, this reduced-order model requires less data for training yet effectively proves the concept.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Machine Learning Approach to Predict Solute Segregation Energy in Ni Grain Boundaries
A Machine Learning Based Computational Method for Accurate Prediction of Equilibrium Cation Distribution in Complex Spinel Oxides
Assessing GPR Models for Steel Hardness Prediction in Production Environments
Decoding the Structural Genome of Silicate Glasses
EBSD Geometry Calibration Through SE(3) Lie Group Optimization
End-To-End Differentiability and Tensor Processing Unit (TPU) Computing to Accelerate Materials’ Inverse Design
Estimation of Thermal Hysteresis in Zirconia Using Machine Learning Molecular Dynamics and Transition State Modelling
Forecasting Nutrient Flows Using Terrain Elevation-Aware Spatial-Temporal Graph Neural Networks
Forward Prediction and Inverse Design of Additively Manufacturable Alloys via Autoregressive Language Models
Generation of Machine Learning Interatomic Potentials for Boron Carbide with Comparison to the Analytic Angular Dependent Potential
Graph Neural Networks for Rapid Continuum Damage Modeling of Semi-Crystalline Polymers
Machine Learning in Nuclear Waste Glass Formulation and Property Model Development
Multi-Fidelity Gaussian Process Models for Time-Series Outputs
New Machine–Learning Interatomic Potentials (MLIPs) for Si-C-O-H Compounds Enabling Atomistic Simulations of Complex Chemical Transformations
On Languaging a Simulation Engine
Predicting the Dynamics of Atoms in Liquids by a Surrogate Machine-Learned Simulator
Understanding Grain-Boundary Structure Using Strain Functional Descriptors and Unsupervised Machine Learning

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