Atomistic insights into interactions between oxygen and α–Zr (101-1) surface
The oxidation corrosion is a crucial challenge for zirconium (Zr) alloys as cladding materials in fission power reactors. In the present study, a first-principles approach is employed for understanding behaviors of oxygen adsorbed on the Zr (101-1) surface. It is found that the Zr substrate is react...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-06-01
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| Series: | Nuclear Materials and Energy |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352179121000582 |