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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.
Proceedings Inclusion? Undecided


Deformation of Pyrometric Cones and Coal Ash Cones at High Temperatures
Formation of Carbon Nano-fragments from Silicon Carbide Surfaces: Implications for Carbon Reservoirs in Circumstellar Envelopes
Introductory Comments: Materials vs Minerals: Bridging the Gap between Materials Science and Earth and Planetary Science
New Worlds - New Chemistry
Quantum Mechanical Modeling of Mineral-water Interfaces with Surface Defects
Thermodynamic Modeling of Al-Ti-rich Pyroxene Solid Solutions: Deducing the Nebular Conditions of Condensation of Ti+3 and Ti+4 Oxidation States
Thermodynamic Origins of the First Solids in the Solar System: The Need for Computational Materials Science
Uncertainty of Phase Equilibrium

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