Atomic determination of the energetics and configurations of N-Cr/Cr-N-C-O and N-Cr/Ni-vacancy complexes in austenitic Fe alloys
The energetics and configurations of small N-Cr/Cr-N-C-O and N-Cr (Ni)-vacancy complexes in austenitic Fe alloys were investigated using a first-principles method. The interaction between N and Cr/vacancy is attractive (0.10/0.59 eV) while Ni/O repels N (−0.21/−0.46 eV). Energetically, interstitial...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-03-01
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| Series: | Nuclear Materials and Energy |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352179125000493 |
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