| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Thermodynamics and Kinetics of Alloys
|
| Presentation Title |
A First-principles Analysis of the Phase Stability of B2/BCC High Entropy Alloys |
| Author(s) |
Julian L. Brodie, Maryam Ghazisaeidi |
| On-Site Speaker (Planned) |
Julian L. Brodie |
| Abstract Scope |
BCC Refractory High Entropy Alloys (RHEAs) are interesting for their high yield strength and potential to replace Ni-based super alloys in high temperature applications. However, to date, there is still a lack of a fundamental understanding behind their mechanical properties.
Furthermore, the fact these alloys tend to have multiple phases and components makes determining their mechanical properties more challenging. Thus, a study of the phases in these alloys is crucial for their future development. We use Density Functional Theory (DFT) to study the phase stability of the phases of a AlNbTaTiVZr BCC/B2 alloy. We compare the stability of competing phases as a function of pressure and temperature. We also investigate the role of constitutional point defects for the possibility stabilizing the phases. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, High-Entropy Alloys, High-Temperature Materials |