| Autor: |
Alexander Landa, Per Söderlind, Amanda Wu |
| Jazyk: |
angličtina |
| Rok vydání: |
2020 |
| Předmět: |
|
| Zdroj: |
Applied Sciences, Vol 10, Iss 10, p 3417 (2020) |
| Druh dokumentu: |
article |
| ISSN: |
2076-3417 |
| DOI: |
10.3390/app10103417 |
| Popis: |
First-principles calculations within the density-functional-theory (DFT) approach are conducted in order to explore and explain the effect of small amounts of titanium on phase stability in the U-6Nb alloy. During rapid quenching from high to room temperature, metastable phases α′ (orthorhombic), α″ (monoclinic), and γ0 (tetragonal) can form, depending on Nb concentration. Important mechanical properties depend on the crystal structure and, therefore, an understanding of the effect of impurities on phase stability is essential. Insights on this issue are obtained from quantum-mechanical DFT calculations. The DFT framework does not rely on any material-specific assumptions and is therefore ideal for an unbiased investigation of the U-Nb system. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
|
