Multi-scale study on the electrochemical behavior and corrosion mechanism of 5083 aluminum alloy with different microstructures in a NaCl environment

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL Physical Chemistry Chemical Physics Pub Date : 2024-11-11 DOI:10.1039/d4cp03380a
Zhijie Dai, Zhengbing Xiao, Dahong Zhao, Sunhang Xiao, Yuanchun Huang, Qingsong Dai
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Abstract

We conducted electrochemical experiments on 5083 aluminum alloy with different microstructures and measured the samples before and after corrosion by SEM and EBSD. At the same time, density functional theory was used to calculate the chloride ion adsorption behavior of the Mg2Al3 phase, which explained the corrosion mechanism on a multi-scale. The results indicated that edge and heart specimens with varying grain sizes exhibited different trends post heat treatment. Specifically, increasing temperature led to larger grain sizes in the heart region, while smaller grain sizes were observed at the edge. Furthermore, the quantity of the second phase was higher after heat treatment at 550 °C compared to 520 °C. The grain size affects the densification of the passivation film and the potential difference between the second phase and the substrate, leading to variations in corrosivity. Density functional theory calculation demonstrates that the Mg2Al3 (001)MgAl and (001)Al surfaces exhibit higher susceptibility to Cl adsorption, showing the lowest adsorption energies of Cl at the Mg-top of (001)MgAl and Al-top sites of (001)Al. A stronger bond between Cl and Mg atoms leads to intergranular corrosion in different directions.

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不同微观结构的 5083 铝合金在氯化钠环境中的电化学行为和腐蚀机理的多尺度研究
我们对具有不同微观结构的 5083 铝合金进行了电化学实验,并通过 SEM 和 EBSD 对腐蚀前后的样品进行了测量。同时,利用密度泛函理论计算了 Mg2Al3 相的氯离子吸附行为,从多尺度上解释了腐蚀机理。结果表明,晶粒大小不同的边缘试样和心部试样在热处理后表现出不同的趋势。具体来说,温度升高会导致心部区域的晶粒尺寸变大,而边缘区域的晶粒尺寸变小。此外,与 520 °C 相比,550 °C 热处理后第二相的数量更多。晶粒大小会影响钝化膜的致密性以及第二相与基底之间的电位差,从而导致腐蚀性的变化。密度泛函理论计算表明,Mg2Al3 (001)MgAl 和 (001)Al 表面对 Cl- 具有更高的吸附敏感性,在 (001)MgAl 的镁顶和 (001)Al 的铝顶位点,Cl- 的吸附能最低。Cl- 与镁原子之间更强的结合力会导致不同方向的晶间腐蚀。
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来源期刊
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
5.50
自引率
9.10%
发文量
2675
审稿时长
2.0 months
期刊介绍: Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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