|About this Abstract
|7th World Congress on Integrated Computational Materials Engineering (ICME 2023)
|Examining Phonon Transport in High Entropy Oxides: An Advanced Thermal Barrier Coating Material
|Prince Sharma, Ganesh Balasubramanian
|On-Site Speaker (Planned)
Thermal Barrier Coating (TBC) material are used to protect gas turbine blades from high temperatures. Yttria-Stabilized Zirconia (YSZ) is widely used TBC material with a maximum operational temperature of 1600 K. With the ever-increasing demands of fossil fuels and its impact to environment it is crucial to design materials that can serve at ultra-high temperatures without failure to increase the efficiency of engines. In this study we present new High Entropy Oxides (HEOs) designed on the basis of first principal calculations. Phonon calculation were performed to determine thermal expansion and conductivity of the compounds. We found that these materials possess ultra-low thermal conductivity (k) and higher stability above 1600 K. Due to increased configuration entropy and high structural distortion there is enhanced phonon scattering and hence the material possess ultra-low thermal conductivity. HEOs are compared to YSZ via an assessment of phonon dispersion, phonon lifetime, group velocity and thermal conductivity.