About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Modeling, AI Applications, and Method Development in Nuclear Materials
|
| Presentation Title |
Predictive Modeling of Thermal Transport Degradation in Fusion-Relevant Materials |
| Author(s) |
Izabela A. Szlufarska, Dane Morgan, Maciej Polak |
| On-Site Speaker (Planned) |
Izabela A. Szlufarska |
| Abstract Scope |
Accurate prediction of thermal transport degradation is critical for assessing the performance and lifetime of nuclear materials exposed to irradiation and transmutation. We present advances in atomistic modeling for predicting thermal conductivity in fusion-relevant materials, focusing on W and SiC. For W, the leading plasma-facing material for future fusion reactors, we developed a fully first-principles framework that quantifies the effects of transmutation products on both phonon and electronic thermal conductivity, eliminating reliance on experimentally fitted parameters that are often unavailable under fusion-relevant conditions. For SiC, a promising structural and functional material for advanced nuclear systems, we developed machine-learning interatomic potentials that enable large-scale thermal conductivity calculations in the presence of irradiation defects and metallic transmutation products. The results provide mechanistic insight into defect- and solute-induced scattering and demonstrate the ability of atomistic simulations to deliver quantitative predictions of thermal transport in nuclear materials where experimental data are limited or inaccessible. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Temperature Materials, Modeling and Simulation, Nuclear Materials |