About this Abstract |
Meeting |
2025 TMS Annual Meeting & Exhibition
|
Symposium
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AI/Data Informatics: Computational Model Development, Verification, Validation, and Uncertainty Quantification
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Presentation Title |
Bayesian Prediction and Optimization of Al-Ce-La-Nd-Mg-Ni Alloys’ Mechanical Properties Post Heat Treatment |
Author(s) |
Jie Qi, Pablo Andre Luna Falcon, David C. Dunand |
On-Site Speaker (Planned) |
Jie Qi |
Abstract Scope |
Machine Learning (ML) has demonstrated greater efficiency than traditional trial-and-error approaches in designing alloys with tailored properties. This research introduces innovative ML features related to strengthening phase coarsening and solute element homogenization, to enable accurate predictions of alloy mechanical properties in both as-cast states and after long-term thermal exposure. Bayesian Gaussian Process algorithms were employed to predict the hardness, tensile yield strength, ultimate tensile strength, and fracture strain. Utilizing prediction uncertainties, an active learning algorithm with an expected improvement utility function guided new composition selection for experimental investigations, efficiently expanding the limited database of the Al-Ce-La-Nd-Mg-Ni system, and enhancing prediction capabilities while identifying high-performing alloys. On the optimized models, relative partial dependence analysis was further conducted to quantitatively understand how atomic contents and thermal treatments influence the evolution of mechanical properties under thermal exposure. Ultimately, alloys with high tensile quality index were designed, exhibiting the synergy of strength and ductility. |
Proceedings Inclusion? |
Planned: |
Keywords |
Aluminum, Computational Materials Science & Engineering, Mechanical Properties |