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Meeting MS&T24: Materials Science & Technology
Symposium Computation Assisted Materials Development for Improved Corrosion Resistance
Presentation Title Predicting Oxidation Behavior of Ni-Based Superalloys with Physics-Informed Machine Learning
Author(s) William Trehern, Aditya Sundar, Leebyn Chong, Richard Oleksak, Madison Wenzlick, Kyle Rozman, Martin Detrois, Paul Jablonski, Michael Gao
On-Site Speaker (Planned) William Trehern
Abstract Scope Oxidation continues to be a challenge for high-temperature in energy applications. Currently, there is no method to effectively approximate a materials susceptibility to oxidation at high temperatures making designing new oxidation-resistant alloys challenging. In this work, a large, high-quality database of 50,000+ data entries for alloy oxidation behavior has been created and used in a physics-informed machine learning workflow. Manual literature data collection was performed and compiled with internal, high-fidelity experimental data. A custom physics-informed descriptor library was created to generate physically meaningful features by transforming the composition, processing, and test parameters. Using the oxidation rate (kp) and mass change as the target parameters, we identify key features that impact oxidation in Ni-based superalloys. Multiple regression models are evaluated and the best is selected for use in a multi-objective optimization schema to design new Ni-based superalloys with superior high-temperature oxidation performance.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Assessment of the Role of Minor Refractory Alloying Additions in Affecting Alumina-Scale Formation During High-Temperature Oxidation of Ni-based model alloys
Atomic Origins of CO2-Promoted Oxidation of Chromia-Forming Alloys
Impact of Water Vapor Content and Oxygen Partial Pressure on Oxidation Behavior of NiCr Alloys at 950 °C
New Approaches Towards Computational Modeling of Metal Dusting
Phase-Field Modeling of Thermally Grown Oxide and Induced Damage and Cracking in Environmental Barrier Coatings
Phase Field Numerical Model for Simulating the Activation and Diffusion Controlled Stress Corrosion Cracking Phenomena in Anisotropic Material
Predicting Oxidation Behavior of Ni-Based Superalloys with Physics-Informed Machine Learning
Quantifying the Impact of Microstructure on the Corrosion of Structural Alloys by Molten Salt Using Mesoscale Modeling with the MOOSE Framework
Re-Thinking Chemical Lifetime of Chromia-Forming Ferritic Stainless Steels

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