First-principles calculation of bonding and hydrogen trapping mechanism of Fe3C/α-Fe interface
The Fe3C/α-Fe interface in pearlite is the main hydrogen trapping site. The first-principles calculation method based on density functional theory was employed to investigate the bonding and hydrogen trapping mechanism of the Fe3C/α-Fe interface with three different orientation relationships, specif...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-09-01
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| Series: | Journal of Materials Research and Technology |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785423021993 |