| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Microstructural, Mechanical, and Chemical Behavior of Solid Nuclear Fuel and Fuel-Cladding Interface II
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| Presentation Title |
First Principle Based Modeling of the Impact of Dislocation Loops on the Thermal Transport of Nuclear Fuels |
| Author(s) |
Saqeeb Adnan, Erika Nosal, Marat Khafizov |
| On-Site Speaker (Planned) |
Saqeeb Adnan |
| Abstract Scope |
Characterizing the wide range of irradiation-induced defects is crucial for properly addressing the phonon-mediated thermal transport inside nuclear fuels; a property that governs the reactor performance and safety. The development of first principle-based models requires an accurate description of the phonon scattering rates for these microstructural defects. Defects with long-range strain field such as faulted dislocation loops and their interaction with phonons has not been previously captured using ab-initio methods. In this study, we follow a perturbative approach under the Born approximation. We extend Klemens’ original formulation for extended defects and strain fields accounting for real phonon dispersion with elastic anisotropy. We benchmark our model to the experimentally measured thermal conductivity data of irradiated UO2 and ThO2. Our model provides critical insight into the contrasting contributions to thermal transport degradation from scattering sites, including point defects (vacancies, interstitials) and the strain field around dislocation loops. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Nuclear Materials, Modeling and Simulation, Other |