About this Abstract |
| Meeting |
MS&T25: Materials Science & Technology
|
| Symposium
|
Advances in Refractory High Entropy Alloys and Ceramics
|
| Presentation Title |
Heat Transport in WMoTaNbV High-Entropy Alloy via First-principles Calculation |
| Author(s) |
Himani Mishra, Shuxiang Zhou, Michael Moorehead, Pierre-Clément A. Simon |
| On-Site Speaker (Planned) |
Himani Mishra |
| Abstract Scope |
Refractory high entropy alloys based on tungsten exhibit exceptional properties, including thermal stability and corrosion resistant, making them promising for next-generation high-temperature applications. By analyzing electron-electron and phonon-phonon scattering rates, we aim to understand the mechanisms that govern thermal conductivity in this complex material system. In this study, we employ first-principles calculation to investigate the fundamental physics of heat transport in WMoTaNbV alloy, by utilizing Boltzmann transport equations for both electron and phonon transports, where electron self-energy is obtained by GW approximation and phonon lifetime is obtained with three-phonon scattering. Our study shows, both electrons and phonons have major contributions to thermal transport between 300-1000 K. The effect of intrinsic point defects has also been investigated for lowest formation energy configurations of niobium vacancy and vanadium interstitial. Our findings provide insights into the role of high-entropy alloy composition on thermal properties, paving way for advanced materials with tailored thermal performance. |