| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Accelerated Qualification of Nuclear Materials Integrating Experiments, Modeling, and Theories
|
| Presentation Title |
Current Status on Dislocation Modeling at the Atomic Scale in UO2 |
| Author(s) |
Adrien Pivano, Marion Borde, Bruno Michel, Jules-Elémir Suchorski, Michel Freyss, Emeric Bourasseau, David Rodney, Jonathan Amodeo |
| On-Site Speaker (Planned) |
Adrien Pivano |
| Abstract Scope |
Dislocation properties are key parameters for some models of the fuel performance PLEIADES platform developed by the french atomic energy center (CEA) to predict the thermomechanical behavior of nuclear fuels, from nominal to hypothetical accidental conditions. We summarize our recent findings on dislocation modeling in UO2 at the atomic scale. First, the ˝<110>{100} edge dislocation is investigated using a combination of interatomic potential-based atomistic simulations and ab initio calculations. Various dislocation cores are discussed including an unreported zigzag core. The ˝<110> screw dislocation is also investigated using the same approach. Secondly, dislocation mobility is modeled as a function of temperature and stress. While the {001} edge dislocation is characterized by consecutive thermally-activated and athermal regimes, a more complex behaviour is noticed for the screw dislocation that combines glide, cross-slip, self-pinning and point defect emission. Finally, derived dislocation mobility laws allow the upscaling towards multi-scale modeling of irradiated UO2 nuclear fuel. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Nuclear Materials, Mechanical Properties, Modeling and Simulation |