About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
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AI/Data Informatics: Computational Model Development, Verification, Validation, and Uncertainty Quantification
|
Presentation Title |
Machine Learning Guided Selection of High Temperature High Entropy Refractory Ceramics |
Author(s) |
Maryam Mansoor, Trupti Mohanty, Mubashir Mansoor, Mehya Mansoor, Hasan M Sayeed, Enes Kurkcu, Mustafa Olgun, Kamil Czelej, Burak Özkal, Filiz Cinar Sahin, Onuralp Yucel, Bora Derin, Onur Ergen, Taylor D. Sparks |
On-Site Speaker (Planned) |
Trupti Mohanty |
Abstract Scope |
High entropy refractory ceramics have recently gained significant interest in high-temperature applications because of their excellent mechanical strength and high-temperature stability. However, due to the vast compositional and feature space, selecting an optimal HEA refractory ceramic for the desired elastic moduli and melting point is challenging. In this study, we provide a design strategy that can be applied to a huge compositional space in discovering new optimal candidates by using the Gaussian process regression technique. We combine DFT calculated moduli and CALPHAD thermodynamic data and apply machine learning algorithms to screen out the candidate from the unexplored search space. We explore different featurization schemes and evluate the property prediction performance for various machine learning algorithms. |
Proceedings Inclusion? |
Planned: |
Keywords |
Machine Learning, High-Entropy Alloys, Modeling and Simulation |