|About this Abstract
||MS&T23: Materials Science & Technology
||Computational Discovery, Understanding, and Design of Multi-principal Element Materials
||Yield Strength-Plasticity Trade-off and Uncertainty Quantification in ML-based Design of Refractory High-entropy Alloys
||Stephen Giles, Debasis Sengupta, Hugh Shortt, Peter Liaw
|On-Site Speaker (Planned)
Development of process-structure-property relationships in materials science is an important and challenging frontier which promises improved materials and reduced time and cost in production. Refractory high entropy alloys (RHEAs) are a class of materials that are capable of excellent high-temperature properties. However, due to their multi-component nature, RHEAs have a vast composition space which presents challenges for traditional experimental exploration. Here, quantitative models of compressive yield strength and room-temperature plasticity are developed through a deep learning approach. Uncertainty quantification is performed through a variety of statistical validation techniques. Model predictions are experimentally validated through collection of recent literature and the synthesis and experimental characterization of two new, unreported RHEAs: AlMoTaTiZr and Al0.239Mo0.123Ta0.095Ti0.342Zr0.201. Finally, through the application of model interpretability, features having the greatest impact on both the mechanical property and uncertainty of the deep learning models are revealed, and shown to agree well with current physics and materials science theory.