| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Microstructural, Mechanical and Chemical Behavior of Solid Nuclear Fuel and Fuel-cladding Interface
|
| Presentation Title |
Atomistically-informed Cluster Dynamics Modelling of Defect Evolution in Irradiated ThO2 |
| Author(s) |
Sanjoy Kumar Mazumder, Maniesha Singh, Tomohisa Kumagai, Anter El-Azab |
| On-Site Speaker (Planned) |
Sanjoy Kumar Mazumder |
| Abstract Scope |
A cluster dynamics (CD) model has been developed to investigate the nucleation and growth of point defect clusters, i.e., interstitial prismatic loops and nanoscale and sub-nanoscale voids, in ThO2 during irradiation by energetic particles. The model considers cluster off-stoichiometry due to the asymmetry of point defect generation on the O and Th sublattices under irradiation, as well as the point defect diffusivities and the defect binding energies to clusters. The latter energies were established using detailed molecular dynamics simulations considering the statistical variability of cluster configuration. The predicted loop density and their average size were found to be in good agreement with reported experimental observations for proton irradiated ThO2 at 600oC. Further annealing of irradiated ThO2 at 1100oC enhance the kinetics of immobile vacancies resulting in void growth. The CD prediction closely corresponds to the TEM observations, additionally validating the model fidelity. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Nuclear Materials, Modeling and Simulation |