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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Bibliographic Details
Main Authors: Zhu, Lixia, Luo, Jinheng, Zheng, Shunli, Yang, Shuaijun, Hu, Jun, Chen, Zhong
Other Authors: School of Materials Science and Engineering
Format: Journal Article
Language:English
Published: 2023
Subjects:
Engineering::Materials
Hydrogen Embrittlement
Hydrogen Diffusion
Online Access:https://hdl.handle.net/10356/169126

Internet

https://hdl.handle.net/10356/169126

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