The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion

Wang, Yuhao; Wang, Haijun; Li, Lingxiao; Liu, Jiyan; Zhao, Pei; Xu, Zhiqiang

doi:10.3390/met12020345

Open AccessArticle

The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion

by

Yuhao Wang

¹

,

Haijun Wang

^1,*

,

Lingxiao Li

¹,

Jiyan Liu

¹,

Pei Zhao

² and

Zhiqiang Xu

¹

National Engineering Research Center for Equipment and Technology of Cold Strip Rolling, Yanshan University, Qinhuangdao 066004, China

²

Department of Chemistry, University of Warwick, Coventry CV4 7AL, UK

^*

Author to whom correspondence should be addressed.

Metals 2022, 12(2), 345; https://doi.org/10.3390/met12020345

Submission received: 18 November 2021 / Revised: 24 December 2021 / Accepted: 2 February 2022 / Published: 16 February 2022

(This article belongs to the Special Issue Review of Hydrogen Embrittlement in Metals)

Download

Browse Figures

Versions Notes

Abstract

High-strength aluminum alloys are widely used in industry. Hydrogen embrittlement greatly reduces the performance and service safety of aluminum alloys. The hydrogen traps in alumi-num profoundly affect the hydrogen embrittlement of aluminum. Here, we took a coinci-dence-site lattice (CSL) symmetrically tilted grain boundary (STGB) Σ5(120)[001] as an example to carry out molecular dynamics (MD) simulations of hydrogen diffusion in aluminum at dif-ferent temperatures, and to obtain results and rules consistent with the experiment. At 700 K, three groups of MD simulations with concentrations of 0.5, 2.5 and 5 atomic % hydrogen (at. % H) were carried out for STGB models at different angles. By analyzing the simulation results and the MSD curves of hydrogen atoms, we found that, in the low hydrogen concentration of STGB models, the grain boundaries captured hydrogen atoms and hindered their movement. In high-hydrogen-concentration models, the diffusion rate of hydrogen atoms was not affected by the grain boundaries. The analysis of the simulation results showed that the diffusion of hydro-gen atoms at the grain boundary is anisotropic.

Keywords: MD simulation; hydrogen embrittlement; symmetrically tilt grain boundary; hydrogen diffusion

Share and Cite

MDPI and ACS Style

Wang, Y.; Wang, H.; Li, L.; Liu, J.; Zhao, P.; Xu, Z. The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion. Metals 2022, 12, 345. https://doi.org/10.3390/met12020345

AMA Style

Wang Y, Wang H, Li L, Liu J, Zhao P, Xu Z. The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion. Metals. 2022; 12(2):345. https://doi.org/10.3390/met12020345

Chicago/Turabian Style

Wang, Yuhao, Haijun Wang, Lingxiao Li, Jiyan Liu, Pei Zhao, and Zhiqiang Xu. 2022. "The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion" Metals 12, no. 2: 345. https://doi.org/10.3390/met12020345

APA Style

Wang, Y., Wang, H., Li, L., Liu, J., Zhao, P., & Xu, Z. (2022). The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion. Metals, 12(2), 345. https://doi.org/10.3390/met12020345

Note that from the first issue of 2016, this journal uses article numbers instead of page numbers. See further details here.

Article Menu

The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion

Abstract

Share and Cite

Article Metrics

Article Access Statistics

Further Information

Guidelines

MDPI Initiatives

Follow MDPI