Basic physical behavior of impurity carbon in molybdenum for nuclear material: A systematical first-principles simulation
Based on first-principles simulations, we have systematically studied physical behavior of impurity carbon in molybdenum. A single carbon atom is preferable to occupy the octahedral interstitial position (oip) rather than the tetrahedral interstitial position (tip) in molybdenum. Two carbon atoms ar...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-09-01
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| Series: | Nuclear Materials and Energy |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S235217912100123X |