| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Materials and Chemistry for Molten Salt Systems
|
| Presentation Title |
Molecular Dynamics Exploration of the Impurity and Radiolysis Effects on the Thermal Properties of Molten FLiBe Salt |
| Author(s) |
Nicholas Dailey, Jianqi Xi |
| On-Site Speaker (Planned) |
Nicholas Dailey |
| Abstract Scope |
The study of molten salt reactors has increasingly focused on the modeling and control of thermophysical and thermal hydraulic properties of molten salts, such as thermal conductivity, heat capacity, viscosity, and phase transition points. One of the key areas of interest for improving molten salt usability in reactors is the influence of impurities on these properties. In this talk, I will discuss our recent molecular dynamics (MD) studies of molten FLiBe. Our investigations utilized machine learned interatomic potentials, trained using first principles MD simulations, to facilitate larger scale classical MD simulations. This approach enabled a detailed analysis of the thermal properties of FLiBe, which we then compared with existing literature to validate our approach. We further explored the effects of impurities (Eu3+, Ni2+, Cr3+) on these thermal properties, with a particular focus on how these additives influenced the radiolysis effect of the salt. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Nuclear Materials, Computational Materials Science & Engineering, |