Understanding hydrogen diffusion mechanisms in doped α-Fe through DFT calculations

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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書目詳細資料
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
主題:	Engineering::Materials Hydrogen Embrittlement Hydrogen Diffusion
在線閱讀:	https://hdl.handle.net/10356/169126
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	Nanyang Technological University
語言:	English

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