The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion
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) symmetric...
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MDPI AG
2022-02-01
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| Series: | Metals |
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| Online Access: | https://www.mdpi.com/2075-4701/12/2/345 |
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| author | Yuhao Wang Haijun Wang Lingxiao Li Jiyan Liu Pei Zhao Zhiqiang Xu |
| author_facet | Yuhao Wang Haijun Wang Lingxiao Li Jiyan Liu Pei Zhao Zhiqiang Xu |
| author_sort | Yuhao Wang |
| collection | DOAJ |
| description | 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. |
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| institution | Directory Open Access Journal |
| issn | 2075-4701 |
| language | English |
| last_indexed | 2024-03-09T21:25:16Z |
| publishDate | 2022-02-01 |
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| spelling | doaj.art-08bff8f985f24635b57e26a90e3795b52023-11-23T21:08:56ZengMDPI AGMetals2075-47012022-02-0112234510.3390/met12020345The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen DiffusionYuhao Wang0Haijun Wang1Lingxiao Li2Jiyan Liu3Pei Zhao4Zhiqiang Xu5National Engineering Research Center for Equipment and Technology of Cold Strip Rolling, Yanshan University, Qinhuangdao 066004, ChinaNational Engineering Research Center for Equipment and Technology of Cold Strip Rolling, Yanshan University, Qinhuangdao 066004, ChinaNational Engineering Research Center for Equipment and Technology of Cold Strip Rolling, Yanshan University, Qinhuangdao 066004, ChinaNational Engineering Research Center for Equipment and Technology of Cold Strip Rolling, Yanshan University, Qinhuangdao 066004, ChinaDepartment of Chemistry, University of Warwick, Coventry CV4 7AL, UKNational Engineering Research Center for Equipment and Technology of Cold Strip Rolling, Yanshan University, Qinhuangdao 066004, ChinaHigh-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.https://www.mdpi.com/2075-4701/12/2/345MD simulationhydrogen embrittlementsymmetrically tilt grain boundaryhydrogen diffusion |
| spellingShingle | Yuhao Wang Haijun Wang Lingxiao Li Jiyan Liu Pei Zhao Zhiqiang Xu The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion Metals MD simulation hydrogen embrittlement symmetrically tilt grain boundary hydrogen diffusion |
| title | The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion |
| title_full | The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion |
| title_fullStr | The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion |
| title_full_unstemmed | The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion |
| title_short | The Effect of Symmetrically Tilt Grain Boundary of Aluminum on Hydrogen Diffusion |
| title_sort | effect of symmetrically tilt grain boundary of aluminum on hydrogen diffusion |
| topic | MD simulation hydrogen embrittlement symmetrically tilt grain boundary hydrogen diffusion |
| url | https://www.mdpi.com/2075-4701/12/2/345 |
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