About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Vacancy Engineering in Metals and Alloys
|
| Presentation Title |
High Strength and Ductile, Single-Phase, Refractory Multi-Principle-Element Alloys (RMPEAs) by Theory-Guided Tailoring: Effects of Chemical Short-Range Order, Vacancies, and Hydrogen
|
| Author(s) |
Duane D. Johnson, Prashant Singh, Andrey Smirnov, Hailong Huang, Luke Gaydos, Gaoyuan Ouyang, Jun Cui, Nicolas Argibay |
| On-Site Speaker (Planned) |
Duane D. Johnson |
| Abstract Scope |
RMPEAs are desirable high-T materials with excellent mechanical performance, surpassing Ni-based superalloys. Yet, most RMPEAs suffer from poor room-temperature (RT) ductility, making processing difficult and limiting commercial use, and at high-temperatures creep properties are unknown – a roadblock to deployment. Focus is on theory-guided tailoring of properties in bcc RMPEAs with exceptional RT tensile ductility and strength and high-T creep resistance, like H-combustion electrical generators or fusion plasma containment. Examples include (i) vacancy-mediated phases in TiZrHfAlx [DOE Fossil Energy/Crosscut]; (ii) vacancy energies and barriers in (Mo95W5)85Ta10(TiZr)05 yielding large creep resistance (exceeding C-103) [EERE/AMO]; and (iii) tailored W-based properties for exceptional RT tensile ductility and strength, as confirmed by atom-probe tomography and microscopy to assess measured tensile stress-strain and the link to SRO [ARPA-E CHADWICK]. A special density-functional theory (KKR-CPA) handles configurationally averaging concomitantly with DFT self-consistency and permits SRO and its origin to be determined by k-space linear-response. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, High-Entropy Alloys, Characterization |