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Meeting MS&T25: Materials Science & Technology
Symposium Understanding and Mitigating High Temperature Corrosion Processes Through Synergistic Integration of Experimental, Computational and Manufacturing Techniques
Presentation Title Discovering mappings between thermodynamic states in metal oxidation using machine learning
Author(s) Nathan Bianco, Scott Monismith, Remi Dingreville
On-Site Speaker (Planned) Nathan Bianco
Abstract Scope Zirconium alloys are widely utilized in nuclear reactors for structural components and fuel cladding, primarily due to their exceptional corrosion resistance under operating conditions and capacity to capture neutrons. However, the oxidation equivalence of zirconium alloys compared to other alloys remains largely unexplored. Developing a framework for equivalence in corrosion behavior is essential for extending the lifespan of materials and enhancing flexibility in material selection. This study presents a novel approach that employs machine learning to identify equivalences between zirconium alloys and various surrogate alloys. By integrating diverse data sources, including CALPHAD simulations and phase-field modeling, machine learning techniques are employed to generate low-dimensional embeddings that capture the underlying characteristics of different alloys. These embeddings are analyzed to uncover equivalences in the oxidation behavior of metal oxides, providing valuable insights for material optimization and selection in nuclear applications. SNL is managed and operated by NTESS under DOE NNSA contract DE-NA0003525.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

AI-Driven Multiscale Computational Framework for Corrosion-Induced Degradation of High Temperature Alloys
Development of Low Temperature Sulphidation Resistant Coatings in Aerospace Environments
Discovering mappings between thermodynamic states in metal oxidation using machine learning
Evaluating CMAS-Coating Interactions for Jet Engine Applications
High-Temperature Corrosion Challenges of Wrought Alloys in Extreme Environments
Impact of water vapor and hydrogen on oxidation behavior of chromia-forming Ni-based alloys
Modeling premature breakaway oxidation of ferritic stainless steels above 850°C
Novel corrosion resistant coatings working with high-temperature corrosion obtained using FA- charges
Phase field informed Poisson-Nernst-Planck model for corrosion in molten salt environments
Predicting Internal to External Oxidation in High-Temperature Ni-Cr Alloys Using a CALPHAD-Informed Phase-Field Model
Understanding Compositional Effects on the Oxidation Behavior of Binary Nb-Ti Alloys

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