DFT calculations of solute-vacancy binding in Zirconium-based Zr–Nb–Sn alloy
The energetic properties of ternary Zr–Nb–Sn Zirconium-based alloy with concentration of dissolved alloying elements ∼1.5% are studied by using density functional theory. The possibility of alloying additions separated by different distances to dissolve/segregate in a host matrix is analyzed with th...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-09-01
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| Series: | Nuclear Materials and Energy |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S235217912200103X |