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Impact of angular deviation from coincidence site lattice grain boundaries on hydrogen segregation and diffusion in α-iron

Published online by Cambridge University Press:  29 August 2018

Mohamed H. Hamza ,
Mohamed A. Hendy ,
Tarek M. Hatem  and
Jaafar A. El-Awady
Mohamed H. Hamza
Affiliation:
Department of Mechanical Engineering, Whiting School of Engineering, Johns Hopkins University, Baltimore, MD 21218, USA
Mohamed A. Hendy
Affiliation:
Centre for Simulation Innovation and Advanced Manufacturing, the British University in Egypt, Cairo 11837, Egypt
Tarek M. Hatem*
Affiliation:
Centre for Simulation Innovation and Advanced Manufacturing, the British University in Egypt, Cairo 11837, Egypt Faculty of Energy and Environmental Engineering, The British University in Egypt, Cairo 11837, Egypt
Jaafar A. El-Awady
Affiliation:
Department of Mechanical Engineering, Whiting School of Engineering, Johns Hopkins University, Baltimore, MD 21218, USA
*
Address all correspondence to Tarek M. Hatem at tarek.hatem@bue.edu.eg
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Abstract

Coincidence site lattice (CSL) grain boundaries (GBs) are believed to be low-energy, resistant to intergranular fracture, as well as to hydrogen embrittlement. Nevertheless, the behavior of CSL-GBs are generally confused with their angular deviations. In the current study, the effect of angular deviation from the perfect $\Sigma 3(111)[1\bar 10]$ GBs in α-iron on the hydrogen diffusion and the susceptibility of the GB to hydrogen embrittlement is investigated through molecular static and dynamics simulations. By utilizing Rice–Wang model, it is shown that the ideal GB shows the highest resistance to decohesion below the hydrogen saturation limit. Finally, the hydrogen diffusivity along the ideal GB is observed to be the highest.

Type
Research Letters
Information
MRS Communications , Volume 8 , Issue 3 , September 2018 , pp. 1197 - 1203
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Copyright
Copyright © Materials Research Society 2018 

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