Ab initio modelling of helium behavior in α-Fe/TaC interface
To understand the role of α-Fe/TaC interface on the clustering behavior of helium (He) atoms inside castable nanostructured alloys under irradiation, we built two models (Ta13C14@Fe215 and {100} 〈110〉 Fe//{100} 〈100〉 TaC interface) and perform systemical ab initio calculations to investigate the ene...
| 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/S2352179121000442 |