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Meeting MS&T25: Materials Science & Technology
Symposium Integrated Computational Materials Engineering for Physics-Based Machine Learning Models
Presentation Title Machine Learning Model for Estimating the Number of Grains in Ti–6Al–4V XRD Patterns
Author(s) Gabriel Obsequio Ponon, Mohommad Redad Mehdi, Ozan Dernek, Hemant Sharma, Pawan Tripathi, Roger French
On-Site Speaker (Planned) Gabriel Obsequio Ponon
Abstract Scope Grain distribution information is essential for characterizing the mechanical properties of metallurgical samples. Though computer vision-based methods abound in literature, they often operate on SEM and TEM micrographs, limited to a localized sample surface region. This work explores the use of High-energy XRD patterns to identify the number of grains in metal samples of Ti–6Al–4V (Ti-64). We developed an automated approach for synthesizing Ti-64 microstructures with equiaxed β grains and α laths using DREAM.3D, which we used to simulate textured and non-textured XRD patterns with known “ground truth” grain counts. Machine learning models are trained on this synthetic dataset for identifying grain count in experimentally derived XRD patterns. This work demonstrates that ensemble simulations and ML models can be used for characterizing grain distributions in real XRD datasets. The methods shown also have the potential to enable in-situ characterization in synchrotron facilities.

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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