|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Materials Science and Engineering for Nuclear Energy
||Computational Modelling of Thermal Transport in Uranium Dioxide
||Ahmed Hamed, Anter El-Azab
|On-Site Speaker (Planned)
This study aims at developing a mechanistic, experimentally-validated model of phonon mediated thermal transport in UO<SUB>2</SUB> for thermal conductivity prediction, by direct benchmarking simulated phonon properties results against INS measurements. This provides a more reliable assessment criteria than thermal conductivity, and paves the way for founding predictive models of radiation effects on thermal transport with theoretical supports, beyond currently available phenomenological models. The bottleneck of the employed approach is to calculate intrinsic and extrinsic relaxation times of bulk phonons, based on time dependent perturbation theory and by considering the experimental data of phonon dispersions in the main high symmetry directions to account for cubic anisotropy. In addition, we present a critical assessment of several common approximations for the calculations of lattice thermal conductivity using spectral Boltzmann Transport Equations. These approximations pertain to dispersion anisotropy and relations, Brillouin zone structure, and the coupling between the scattering rates of phonon normal modes.
||Planned: Supplemental Proceedings volume