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
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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