About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Materials and Chemistry for Molten Salt Systems
|
| Presentation Title |
Uncertainty Quantification and Propagation in the KF-LiF-NaF Pseudo-Ternary System for Molten Salt Applications |
| Author(s) |
Jorge F. Paz Soldan, Juliano Schorne-Pinto, Ronald Booth, Aiswarya Padinhare Manissery, Jack A. Wilson, Pandu Wisesa, Theodore Besmann |
| On-Site Speaker (Planned) |
Jorge F. Paz Soldan |
| Abstract Scope |
The CALculation of PHAse Diagrams (CALPHAD) method has been established as a useful computational tool for exploring phase stability. The computational technique is based on parameterizing Gibbs energy functions of all relevant phases using experimental thermodynamic data for chemical systems of interest. A major drawback of this computational technique is that its predictions do not account for uncertainty in the considered experimental data. Due to the improvement in computational power over the years, uncertainty quantification and propagation (UQ & UP) through Bayesian inference has started to become increasingly practical. The present work uses UQ & UP calculations to explore uncertainty in the KF-LiF-NaF pseudo-ternary model, as the system is important for potential molten salt reactor applications. The study applied the open-source code ESPEI for the UQ and UP calculations in conjunction with the KF-LiF-NaF thermodynamic models in the U.S. Department of Energy’s Molten Salt Thermal Properties Database – Thermochemical (MSDTDB-TC). |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Nuclear Materials, Modeling and Simulation, Computational Materials Science & Engineering |