| About this Abstract |
| Meeting |
2022 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advanced Characterization and Modeling of Nuclear Fuels: Microstructure, Thermo-physical Properties
|
| Presentation Title |
Predicting Thermophysical Properties of Actinide Oxides Using Atomic Scale Simulation |
| Author(s) |
Michael J D Rushton, Conor O Galvin, Michael W D Cooper |
| On-Site Speaker (Planned) |
Michael J D Rushton |
| Abstract Scope |
Actinide oxides with the fluorite structure represent the most widely deployed class of nuclear fuel materials. Consequently, understanding how their thermophysical properties evolve due to variables such as temperature, composition and radiation damage is important for achieving optimal usage. Atomistic simulation provides a powerful tool for predicting these properties and provides a level of detail which allows the atomic scale processes giving rise to changes in thermophysical properties to be made apparent. In this presentation simulations of specific heat capacity, melting behaviour, thermal conductivity and diffusion will be presented for actinide and mixed oxide fuel materials. All the simulations were performed using the same potential description namely the CRG many-body model, which celebrates it 8th birthday this year. This retrospective look will show the successes of this approach and where there is still room for improvement in the atomistic description of these materials using classical potential models. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Nuclear Materials, Ceramics |