| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Nanostructured Materials in Extreme Environments III
|
| Presentation Title |
A Phonon-Unfolding Based Method for Quantitative Assessment of Thermal Conductivity of High Entropy Ceramics |
| Author(s) |
Jun Song, Yuxuan Wong, Guoqiang Lan |
| On-Site Speaker (Planned) |
Jun Song |
| Abstract Scope |
High entropy ceramics (HECs), with their unique disorder lattice structures, exhibit ultra-low thermal conductivity and good high temperature stability, making them promising candidate materials for next generation thermal barrier coatings (TBCs). Unlike the conventional ceramics where the intrinsic thermal resistance comes mainly from phonon-phonon interactions, the thermal resistance in HECs predominantly arises from phonon-disorder scattering. A new method based on the supercell phonon unfolding (SPU) technique was developed to predictively assess the thermal conductivity of HECs, focusing on the high entropy rocksalt oxides as the representative group. We demonstrated that our method can obtain an indicator in direct correspondence to the thermal conductivity, thus allowing quantitative comparison of the thermal conductivities of different HECs. A good agreement was achieved between model predictions and the experimental measurements, confirming the validity of our method. The method provides a valuable predictive tool for screening and design of HECs for TBCs. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Ceramics, Modeling and Simulation, Other |