Understanding hydrogen diffusion mechanisms in doped α-Fe through DFT calculations
Hydrogen embrittlement is detrimental to structural metals during applications. Herein, we explore the hydrogen diffusion mechanisms in doped α-Fe using first-principles calculations. We prove that the hydrogen trap is a thermodynamically spontaneous process, and doping will decrease the hydrogen ad...
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Main Authors: | Zhu, Lixia, Luo, Jinheng, Zheng, Shunli, Yang, Shuaijun, Hu, Jun, Chen, Zhong |
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其他作者: | School of Materials Science and Engineering |
格式: | Article |
語言: | English |
出版: |
2023
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在線閱讀: | https://hdl.handle.net/10356/169126 |
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