About this Abstract |
| Meeting |
MS&T25: Materials Science & Technology
|
| Symposium
|
High-Entropy Materials: Solid Solutions, Intermetallics, Ceramics, Functional Materials and Beyond VI
|
| Presentation Title |
Electronic structure origin of the B2 phase stability among refractory metals
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| Author(s) |
Ali Barooni, Maryam Ghazisaeidi |
| On-Site Speaker (Planned) |
Ali Barooni |
| Abstract Scope |
Refractory high-entropy alloys (RHEAs) are promising candidates for next-generation high-temperature materials. Among them, RHEAs with coexisting bcc and B2 phases have attracted attention as potential replacements for traditional Ni-based superalloys, due to their high strength and thermal stability. Therefore, understanding B2 phase formation and stability in RHEAs is critical for advancing alloy design. We study the stability of B2 phases among refractory metals using first principles calculations. We further connect this stability to the corresponding electronic structure and the nature of bonding in different intermetallics. We identify a clear link between the compound stability and the existence of a pseudogap in the electronic density of states at the Fermi level. These results provide a deeper understanding and a practical approach for designing stable, high-temperature alloys. |