Influence of hydrogen on the elastic properties and dislocation behavior in Fe–Cr and Fe–Ni alloys by DFT calculations

Influence of hydrogen on the elastic properties and dislocation behavior in Fe–Cr and Fe–Ni alloys by DFT calculations

Abstract The effect of interstitial hydrogen on the elastic properties of bcc Fe, bcc Fe–Cr, and bcc Fe–Ni was investigated using density functional theory calculations. Our results indicate that the elastic moduli decrease linearly with increasing hydrogen concentration. The consequences of hydroge...

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Bibliographic Details
Main Authors: Ying Shi, Xiaohong Yu, Changfeng Chen, Haobo Yu
Format: Article
Language:English
Published: Nature Portfolio 2024-09-01
Series:Scientific Reports
Subjects:
H atom
Elastic modulus
Dislocation
Hydrogen embrittlement
Online Access:https://doi.org/10.1038/s41598-024-71903-4

Internet

https://doi.org/10.1038/s41598-024-71903-4

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