| About this Abstract |
| Meeting |
Materials Science & Technology 2012
|
| Symposium
|
MS&T'12 Poster Session
|
| Presentation Title |
D12: Density Functional Study of Uranium-Niobium System |
| Author(s) |
Thien Chi Duong, Saurabh Bajaj, Alex Landa, Patrice E.A. Turchi, Raymundo Arroyave |
| On-Site Speaker (Planned) |
Thien Chi Duong |
| Abstract Scope |
Density functional study was carried out to study the U-Nb actinide alloy. The ground-state heats of formation of γ (bcc) U-Nb at varying compositions were of particular interest. Essentially, heats of formation are important to achieve a self-consistent thermodynamic model which can be accessed via CALPHAD approach. Calculation results show that the γ phase in U-Nb system tends to be stabilized for rich-Nb alloys. In comparison with U-Zr and U-Mo, it is interesting to notice that by changing a single valance electron the system evolves from disfavor of γ at all compositions (in U-Zr) to stabilization of rich-Nb γ (in U-Nb) and to favor of rich-U γ (in U-Mo). |
| Proceedings Inclusion? |
Definite: A CD-only volume |