| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Accelerated Qualification of Nuclear Materials Integrating Experiments, Modeling, and Theories
|
| Presentation Title |
Atomistic Modeling of Fission Gas (Xe) Diffusivity at UO2 Grain Boundaries |
| Author(s) |
Xiang-Yang Liu, Conor O Galvin, William D Neilson, Michael W Cooper, David A Andersson |
| On-Site Speaker (Planned) |
Xiang-Yang Liu |
| Abstract Scope |
The diffusivity of Xe fission gas atoms at UO2 grain boundaries is important for mechanistic modeling of fission gas evolution in UO2 based nuclear fuels. Currently assumed values have significant uncertainty due to the indirect nature of how the single experimental existing data point was derived. We use molecular dynamics simulations to investigate the Xe diffusivity at UO2 grain boundaries. Since Xe diffusion at grain boundaries is mediated by uranium vacancies, the uranium vacancy concentrations need to be computed. This is achieved by a grain boundary segregation model. The predicted Xe diffusivity result is compared to available experimental data, which is followed by discussions. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Nuclear Materials, Thin Films and Interfaces |