Abstract
A breakthrough in alloy design often requires comprehensive understanding in complex multi-component/multi-phase systems to generate novel material hypotheses. We introduce a modern data analytics workflow that leverages high-quality experimental data augmented with advanced features obtained from high-fidelity models. Herein, we use an example of a consistently-measured creep dataset of developmental high-temperature alloy combined with scientific alloy features populated from a high-throughput computational thermodynamic approach. Extensive correlation analyses provide ranking insights for most impactful alloy features for creep resistance, evaluated from a large set of candidate features suggested by domain experts. We also show that we can accurately train machine learning models by integrating high-ranking features obtained from correlation analyses. The demonstrated approach can be extended beyond incorporating thermodynamic features, with input from domain experts used to compile lists of features from other alloy physics, such as diffusion kinetics and microstructure evolution.
Original language | English |
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Pages (from-to) | 321-330 |
Number of pages | 10 |
Journal | Acta Materialia |
Volume | 168 |
DOIs | |
State | Published - Apr 15 2019 |
Funding
This research was sponsored by the Laboratory Directed Research and Development Program of ORNL , managed by UT-Battelle, LLC, for the U.S. Department of Energy . DS would like to thank Turab Lookman and John Vitek for their fruitful discussion.
Keywords
- Computational thermodynamics
- Correlation analysis
- Creep
- Features
- High-temperature alloys
- Machine learning