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Meeting MS&T21: Materials Science & Technology
Symposium Computation Assisted Materials Development for Improved Corrosion Resistance
Presentation Title Understanding and Reducing Bias in Machine Learning to Enhance Its Predictive and Extrapolative Capabilities: Application to the Oxidation Kinetics and Spallation Behavior of High-temperature NiCr-based Alloys
Author(s) Marie Romedenne, Rishi Pillai, Jian Peng, Bruce Pint, Allen Haynes, Govindarajan Muralidharan, Dongwon Shin
On-Site Speaker (Planned) Marie Romedenne
Abstract Scope The development of new materials used in extreme environments needs a more profound understanding of the degradation of alloys in high-temperature oxidation environments. Combining modeling and experimental approaches such as machine learning (ML) with sufficient experimental data can accelerate the development of new materials while limiting their cost. In the current work, the role of the data distribution in the experimental dataset (data analytics), alloy composition, and chosen oxidation models (a simple parabolic law and a statistical cyclic-oxidation model) on the performance of ML models was evaluated. Potential strategies to improve the predictions and enhance the extrapolative capability of the previously trained model will be investigated. This research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, and the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Propulsion Materials Program.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Back to the Basics: Revisiting Copper to Build Thermodynamic Corrosion Models
Computational Modeling of Corrosion and Mechanical Failure in Magnesium-Aluminum Vehicle Joints
Development of a Damage Function for Galvanic Corrosion Degradation of Coated Al Alloy Systems
Factors That Influence Materials Corrosion and How Modeling May Predict These Effects
First Steps Towards a Coupled Thermodynamic-kinetic Model to Predict Sulfate Deposit Induced Hot Corrosion of Aluminized Ni-based Superalloys
Hydrothermal Corrosion of Silicon Carbide
Modeling of High-temperature Corrosion of Zirconium Alloys Using the eXtended Finite Element Method (X-FEM)
Modelling Alkoxide Corrosion Initiation of Pure-aluminum in Ethanol with Integrated Simulation-based Experimental Methods
Modelling Microstructural Evolution of Aluminide Coatings on Ni-based Superalloys
Morphological Stability of Electrostrictive Thin Films
P2-17: Development of Rhenium Free Heat-resistant Nickel Alloy for the Cast Blades Production by the Method of Directional Crystallization
Predictive Modeling of Microstructure Induced Variations in the Sensitization Response of 5XXX Aluminum Alloys
Solubility Based Prediction of Corrosion in Molten Chloride Salts
Understanding and Reducing Bias in Machine Learning to Enhance Its Predictive and Extrapolative Capabilities: Application to the Oxidation Kinetics and Spallation Behavior of High-temperature NiCr-based Alloys

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