|About this Abstract
||2022 TMS Annual Meeting & Exhibition
||Mechanical Behavior and Degradation of Advanced Nuclear Fuel and Structural Materials
||Diffusion in Doped and Undoped Amorphous Zirconia
||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
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 . Further work will involve analysing the role of dopants on the electrochemical behaviour, potentially stabilising the amorphous systems.
 M. W. Owen et al., “Diffusion in doped and undoped amorphous zirconia,” J. Nucl. Mater., 2021, doi: 10.1016/j.jnucmat.2021.153108.
||Ceramics, Computational Materials Science & Engineering, Modeling and Simulation