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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Alloy Development for Energy Technologies: ICME Gap Analysis
Presentation Title Data Quality Evaluation and Influence on the Predictability of Data-Driven Alloy Design
Author(s) Sunyong Kwon, Yukinori Yamamoto, Jian Peng, Michael P Brady, Dongwon Shin
On-Site Speaker (Planned) Sunyong Kwon
Abstract Scope The lack of high-quality, consistent ground truth data is an often limiting factor in applying machine learning (ML) for alloy design. Although its importance, general practice to evaluate the quality of materials datasets to be used for data analytics has not been established. We propose a quantitative method to evaluate the dataset quality and its influence on the predictability of physics-augmented data-driven surrogate ML models. We use an example creep-rupture experimental data of alumina-forming austenitic (AFA) alloys, of which data has been collected over a decade. The ML model predictability trained by two different qualities of datasets will be discussed. We also present a workflow to assess new alloy compositions worth experimental validation from the ML-predicted millions of hypothetical alloys. The research was sponsored by the Vehicle Technologies Office, the U.S. Department of Energy.
Proceedings Inclusion? Planned:
Keywords ICME, High-Temperature Materials, Machine Learning

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Data Quality Evaluation and Influence on the Predictability of Data-Driven Alloy Design
Design of Creep-resistant Additively Manufactured Stainless Steels for Nuclear Reactors
Electronic NIST/TRC Resource for Thermophysical Property Data of Metal Systems
ExtremeMat: towards Microstructure and Composition Sensitive Models for the Creep Deformation of Engineering Steels
Filling Data Gaps with ICME Tools and Identifying Data Gaps in ICME Tools: A Case Study in Precipitation Kinetics
M-15: Molecular Dynamics Study of Gradient Energy Coefficient and Grain-boundary Migration in Aluminum Foam
Materials-by-Design Utilizing ICME Tools and Crucial Next-generation Needs
Phase-field Modeling of Aluminum Foam Based on Molecular Dynamics Simulations
Phase Field Dislocation Dynamics Modeling of Shearing Modes in Ni2(Cr,Mo,W)-containing HAYNES® 244® Superalloy
Theory-guided Design of High-strength, Ductile Multi-principal-element Alloys with Validation for High-temperature Energy Technologies
Towards FAIR Simulation Workflows: nanoHUB’s Sim2Ls and ResultsDB
Unsupervised Techniques for Outlier Identification in Alloy Datasets
Voxelized Representations of Atomic Systems for Machine Learning Applications
VPSC's New Clothes: Developing a Modern MATLAB API for Automating High-throughput VPSC Experiments

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