About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
AI/Data Informatics: Computational Model Development, Verification, Validation, and Uncertainty Quantification
|
Presentation Title |
Refractory Oxidation Database (RefOxDB): A FAIR Approach to Analyzing Oxidation Kinetics and Enhancing Oxidation Resistance |
Author(s) |
Saswat Mishra, Sharmila Karumuri, Vincent Mika, Collin Scott, Chadwick Choy, Kenneth H. Sandhage, Ilias Bilionis, Michael Titus, Alejandro Strachan |
On-Site Speaker (Planned) |
Saswat Mishra |
Abstract Scope |
Oxidation resistance of metallic alloys is typically assessed using the area-normalized mass change with time. However, inconsistencies often arise in analyzing and interpreting the underlying oxidation mechanisms. We created Refractory Oxidation Database (RefOxDB), a tool that utilizes nanoHUB's Sim2Ls to provide a FAIR (Findable, Accessible, Interoperable, and Reusable) framework for the data and associated analysis workflows that is automatically indexed into an open and FAIR database. The tool leverages Bayesian statistics for model selection and allows researchers to upload raw data and analyze it against various models of oxidation kinetics. This consistent and systematic analysis can significantly accelerate the development of machine-learning models for oxidation behavior, aiding the understanding and improvement of oxidation resistance. We performed an extensive literature review of 400+ alloys and found a discrepancy of 71% in model selection with published results. We will demonstrate the use of this resource for accelerated materials discovery. |
Proceedings Inclusion? |
Planned: |