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Meeting MS&T25: Materials Science & Technology
Symposium Integrated Computational Materials Engineering for Physics-Based Machine Learning Models
Presentation Title Fe-based alloy design via Graph DNN training and inversion
Author(s) Vyacheslav Romanov
On-Site Speaker (Planned) Vyacheslav Romanov
Abstract Scope Artificial Intelligence (AI) platform was used for iron-based alloy simulation and design, by incorporating materials science-based knowledge into computational graph architecture and learning procedures (DNN layers pre-trained on fuzzy physics, microstructure and process representation, and multi-objective optimization). This causal platform can provide novel design ideas and their interpretability via physics and engineering concepts. The graph-based approach facilitated development of the microstructure evolution models with reduced overfitting to limited datasets. Preliminary results demonstrated that domain science-based design of materials for high-temperature environments can be accelerated by the fusion of data from simulation and experiment, and by advanced AI-based workflows. Unprecedented acceleration of the AI-based workflow can be achieved using wafer scale engines, which was demonstrated on a toy problem.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Understanding and design of metallic alloys guided by integrated phase-field simulations
A GNN based Finite Element Simulations Emulator: Application to Parameter Identification for Aluminum Alloy 6DR1
Ab initio prediction of the magnetic thermodynamics of LaCoO3 pervoskite based on the zentropy theory
Accelerated Nuclear Materials Thermochemistry in MOOSE through Surrogate Modeling
Atomistic and AI-Driven Insights into Ferroelectric Switching in Hybrid Improper Double Perovskite Oxides
Bayesian Optimization of KWN Precipitation Model Parameters for Improved Predictive Performance
Effects of Temperature and Strain Rate on Dynamic Recrystallization and Recovery of Aluminum Alloy 2618
Fe-based alloy design via Graph DNN training and inversion
Machine Learning Model for Estimating the Number of Grains in Ti–6Al–4V XRD Patterns
Physics-Based Machine Learning Framework for Fatigue-Life Estimation in Wrought Mg Alloys
The Study of Iron Strontium through Experiment, Simulation, and Data Science
Thermal response of stochastically modeled mesoscale metal foam

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