First principle calculation of structure and stability of α-Fe/V4C3 interface in vanadium microalloyed steel
In order to investigate the interface stability of α-Fe/V4C3, the interface structure of three different atomic stacking sequences (Fe-on-C, Fe-on-V and Bridge) of (100)α-Fe/(100)V4C3 were optimized by using the first-principles calculations with pseudo potential plane wave method. The structural st...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | zho |
| Published: |
Journal of Materials Engineering
2022-05-01
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| Series: | Cailiao gongcheng |
| Subjects: | |
| Online Access: | http://jme.biam.ac.cn/CN/10.11868/j.issn.1001-4381.2021.000278 |