| About this Abstract |
| Meeting |
2022 TMS Annual Meeting & Exhibition
|
| Symposium
|
Mechanical Behavior and Degradation of Advanced Nuclear Fuel and Structural Materials
|
| Presentation Title |
Diffusion in Doped and Undoped Amorphous Zirconia |
| Author(s) |
Megan Wyn Owen, Michael J. D. Rushton, Lee J. Evitts, Antoine Claisse, Mattias Puide, William E. Lee, Simon C. Middleburgh |
| On-Site Speaker (Planned) |
Megan Wyn Owen |
| Abstract Scope |
Grain boundaries in ZrO₂ formed on Zr-based nuclear fuel cladding may be high diffusion pathways for corrosion species such as oxygen and hydrogen. Alloying element segregation has been observed experimentally towards the grain boundaries in ZrO₂, facilitating the development of amorphous regions, with faster diffusivity than the bulk. Undoped and doped amorphous ZrO₂ have been simulated successfully using molecular dynamics, to analyse structures formed, alongside the diffusivity of oxygen as a function of dopant radius and concentration. Comparisons with tetragonal undoped and doped zirconia were made throughout, highlighting differences in diffusion based on the structure of the system [1]. Further work will involve analysing the role of dopants on the electrochemical behaviour, potentially stabilising the amorphous systems.
[1] M. W. Owen et al., “Diffusion in doped and undoped amorphous zirconia,” J. Nucl. Mater., 2021, doi: 10.1016/j.jnucmat.2021.153108. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Ceramics, Computational Materials Science & Engineering, Modeling and Simulation |