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Meeting Materials Science & Technology 2020
Symposium Materials vs Minerals: Bridging the Gap between Materials Science and Earth and Planetary Science
Presentation Title Uncertainty of Phase Equilibrium
Author(s) Marius Stan
On-Site Speaker (Planned) Marius Stan
Abstract Scope We discuss examples of uncertainty quantification of phase equilibrium in multi-component metals and ceramics. Thermodynamic data is generated via experiments and computer simulations that operate at various length and time scales, such as density functional theory, ab-initio molecular dynamics, phase field, finite elements, and calculations of phase diagrams (CALPHAD). The experimental and computational information is analyzed using machine learning coupled with Bayesian inference, resulting in optimal thermodynamic models with confidence intervals. The presentation includes a discussion of the unifying role of thermodynamics at the intersection of material, planetary and geological sciences.


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Introductory Comments: Materials vs Minerals: Bridging the Gap between Materials Science and Earth and Planetary Science
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Uncertainty of Phase Equilibrium

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