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The effect of symmetrically tilt grain boundary of aluminum on hydrogen diffusion
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Wang, Yuhao, Wang, Haijun, Li, Lingxiao, Liu, Jiyan, Zhao, Pei and Xu, Zhiqiang (2022) The effect of symmetrically tilt grain boundary of aluminum on hydrogen diffusion. Metals, 12 (2). e345. doi:10.3390/met12020345 ISSN 2075-4701.
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Official URL: https://doi.org/10.3390/met12020345
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.
| Item Type: | Journal Article | ||||||
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| Subjects: | Q Science > QD Chemistry Q Science > QP Physiology T Technology > TN Mining engineering. Metallurgy |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||||
| SWORD Depositor: | Library Publications Router | ||||||
| Library of Congress Subject Headings (LCSH): | Aluminum alloys , Aluminum alloys -- Hydrogen content , Metals -- Hydrogen embrittlement, Hydrogen -- Diffusion rate, Molecular dynamics | ||||||
| Journal or Publication Title: | Metals | ||||||
| Publisher: | MDPI | ||||||
| ISSN: | 2075-4701 | ||||||
| Official Date: | 16 February 2022 | ||||||
| Dates: |
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| Volume: | 12 | ||||||
| Number: | 2 | ||||||
| Article Number: | e345 | ||||||
| DOI: | 10.3390/met12020345 | ||||||
| Status: | Peer Reviewed | ||||||
| Publication Status: | Published | ||||||
| Access rights to Published version: | Open Access (Creative Commons) | ||||||
| Date of first compliant deposit: | 3 March 2022 | ||||||
| Date of first compliant Open Access: | 7 March 2022 | ||||||
| RIOXX Funder/Project Grant: |
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