Using Uncertainty Quantification Of First-Principles-Only CALPHAD Phase Diagrams To Guide Sequential Learning Of Unknown Phases And Energy Contributions

Presentation information

Oral Session

A. New Materials Methodology for Next-Generation » [A-2] Materials Integration: Prediction and Design for Structural Materials through Data Science

Wed. Dec 15, 2021 2:30 PM - 6:00 PM Room P (G317)

Chair: Masahiko Demura (National Institute for Materials Science (NIMS)), Toshihiro Ashino (Toyo University)

5:15 PM - 5:30 PM

*Theresa Davey¹, Ying Chen¹ (1. Tohoku Univ. (Japan))

Keywords:CALPHAD, first-principles, uncertainty quantification, thermodynamics

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