基于第一性原理的热浸镀Zn-Al-Mg镀层力学及耐蚀性能

doi:10.13251/j.issn.0254-6051.2023.06.038

金属热处理 ›› 2023, Vol. 48 ›› Issue (6): 211-218.DOI: 10.13251/j.issn.0254-6051.2023.06.038

基于第一性原理的热浸镀Zn-Al-Mg镀层力学及耐蚀性能

石建强¹, 张思远², 江海涛², 李守华¹, 曹晓恩¹, 田世伟²

1.河钢集团邯钢公司, 河北邯郸 056015;
2.北京科技大学工程技术研究院, 北京 100083

收稿日期:2022-12-12 修回日期:2023-04-24 发布日期:2023-08-11
通讯作者: 江海涛,研究员,博士,E-mail:jianght@ustb.edu.cn
作者简介:石建强(1982—),男,高级工程师,硕士,主要研究方向为金属材料及汽车板涂装防腐,E-mail:sjq327@163.com。
基金资助:
国家重点研发计划(2016YFB0101600);国家自然科学基金(52201035)

Mechanical properties and corrosion resistance of hot-dipped Zn-Al-Mg coating based on first-principles

Shi Jianqiang¹, Zhang Siyuan², Jiang Haitao², Li Shouhua¹, Cao Xiaoen¹, Tian Shiwei²

1. Handan Steel Co., Ltd., HBIS Group, Handan Hebei 056015, China;
2. Institute of Engineering and Technology, University of Science and Technology Beijing, Beijing 100083, China

Received:2022-12-12 Revised:2023-04-24 Published:2023-08-11

摘要/Abstract

摘要： 使用第一性原理计算方法, 系统地评价了热浸镀Zn-Al-Mg镀层产品中Zn、MgZn₂、Mg₂Zn₁₁这3种主要成分在镀层表面的作用。计算发现, Mg₂Zn₁₁具有力学各向异性及结构不稳定性, 这解释了Mg元素的添加使得材料塑性下降的现象。从微观层面上, 揭示了MgZn₂提升热浸镀Zn-Al-Mg镀层耐蚀性能的原因。发现MgZn₂中Mg原子可以有效地保护Zn原子, 阻碍Cl^-对MgZn₂中Zn原子的腐蚀。该结果从理论方面深入分析了浸镀Zn-Al-Mg镀层的力学性能和耐蚀性能, 有助于指导镀层成分设计与组织调控, 进而提高生产效率。

关键词: 第一性原理, Zn-Al-Mg镀层, 力学性能, 耐蚀性能, MgZn₂

Abstract: Effect of Zn, MgZn₂ and Mg₂Zn₁₁ in the hot-dipped Zn-Al-Mg coating products on the coating surface was systematically evaluated by using the first-principles calculation method. It is found that Mg₂Zn₁₁ has mechanical anisotropy and structural instability, which explains the phenomenon that the addition of Mg decreases the plasticity of the material. From the microscopic level, the reason why MgZn₂ improves the corrosion resistance of the hot-dipped Zn-Al-Mg coating is revealed. Mg atoms in MgZn₂ are found to effectively protect Zn atoms and hinder the corrosion of Zn atoms in MgZn₂ by Cl^-. The results deeply analyze the mechanical properties and corrosion resistance of the dipped Zn-Al-Mg coating from the theoretical aspect, which is helpful to guide the composition design and microstructure control of the coating, thus improving production efficiency.

Key words: first-principles, Zn-Al-Mg coating, mechanical properties, corrosion resistance, MgZn₂

中图分类号:

TG142.1

石建强, 张思远, 江海涛, 李守华, 曹晓恩, 田世伟. 基于第一性原理的热浸镀Zn-Al-Mg镀层力学及耐蚀性能[J]. 金属热处理, 2023, 48(6): 211-218.

Shi Jianqiang, Zhang Siyuan, Jiang Haitao, Li Shouhua, Cao Xiaoen, Tian Shiwei. Mechanical properties and corrosion resistance of hot-dipped Zn-Al-Mg coating based on first-principles[J]. Heat Treatment of Metals, 2023, 48(6): 211-218.

参考文献

[1]吴长军, 姚利丽, 周志嵩, 等. 钢件双镀ZAM合金镀层的组织及耐蚀性[J]. 材料导报, 2021, 35(S1): 434-437.
Wu Changjun, Yao Lili, Zhou Zhisong, et al, Microstructure and corrosion resistance of two-step hot-dipped ZAM alloy coating on structural steel[J]. Materials Reports, 2021, 35(S1): 434-437.
[2]米振莉, 朱泽升, 杨晓宇, 等. 热浸镀Zn-Al-Mg镀层力学性能研究进展[J]. 轧钢, 2022, 39(4): 9-17.
Mi Zhenli, Zhu Zesheng, Yang Xiaoyu, et al. Research progress on mechanical properties of hot-dip galvanized Zn-Al-Mg coating[J]. Steel Rolling, 2022, 39(4): 9-17.
[3]崔桂彬, 鞠新华, 严春莲, 等. 热浸镀低合金高强钢Zn-Al-Mg镀层的组织结构表征[J]. 钢铁, 2023, 58(1): 153-160.
Cui Guibin, Ju Xinhua, Yan Chunlian, et al, Microstructure characterization of hot-dip Zn-Al-Mg coating of low alloy high strength steel[J]. Iron and Steel, 2023, 58(1): 153-160.
[4]林源, 袁训华, 黎振华, 等热镀锌铝镁镀层组织结构及腐蚀电化学特性研究[C]//第十届中国热浸镀学术技术交流会论文集. 2014.
Lin Yuan, Yuan Xunhua, Li Zhenhua, et al. Study on the organization and electrochemical properties of hot-dip galvanized aluminum-magnesium plating[C]//Proceedings of the 10th China Hot Dip Plating Academic Technology Exchange Conference. 2014.
[5]郝玉林, 生海, 赵一. 锌铝镁镀层于3.5%NaCl溶液中腐蚀行为的研究[J]. 涂料工业, 2018, 48(12): 7-15.
Hao Yulin, Sheng Hai, Zhao Yi. Study on corrosion behavior of Zn-Al-Mg coating in 3.5%NaCl solution[J]. Paint and Coating Industry, 2018, 48(12): 7-15.
[6]李峰, 吕家舜, 杨洪刚, 等. 锌铝镁镀层钢板的研究进展[J]. 轧钢, 2013, 30(2): 45-51.
Li Feng, Lü Jiashun, Yang Honggang, et al. Research on ZnAlMg coating steel sheet[J]. Steel Rolling, 2013, 30(2): 45-51.
[7]杨亚晴, 魏文龙, 刘灿楼. 高耐蚀热浸镀锌合金镀层[J]. 金属热处理, 2018, 43(1): 111-115.
Yang Yaqing, Wei Wenlong, Liu Canlou. High corrosion resistance of new hot dip galvanizing alloy coating[J]. Heat Treatment of Metals, 2018, 43(1): 111-115.
[8]蒋光锐, 刘广会. Zn-Al-Mg合金的凝固组织及其耐腐蚀性能[J]. 中国腐蚀与防护学报, 2018, 38(2): 191-196.
Jiang Guangrui, Liu Guanghui. Microstructure and corrosion resistance of solidified Zn-Al-Mg alloys[J]. Journal of Chinese Society for Corrosion and Protection, 2018, 38(2): 191-196.
[9]桂艳, 许乔瑜, 栾向伟, 等. 热浸Zn-Al-Mg-Ce合金镀层的耐腐蚀性能[J]. 电镀与涂饰, 2016, 36(3): 136-140.
Gui Yan, Xu Qiaoyu, Luan Xiangwei, et al. Corrosion resistance of hot-dip Zn-Al-Mg-Ce alloy coatings[J]. Electroplating and Finishing, 2016, 36(3): 136-140.
[10]冉藤, 樊涛, 杜飞, 等. α-CoSn₃ IMC弹性模量各向异性的第一性原理[J]. 焊接学报, 2021, 42(6): 71-76.
Ran Teng, Fan Tao, Du Fei, et al. First-principles study on anisotropy of elastic modulus of α-CoSn₃ IMC[J]. Transactions of the China Welding Institution, 2021, 42(6) : 71-76.
[11]Ravindran P, Fast L, Korzhavyi P A, et al. Density functional theory for calculation of elastic properties of orthorhombic crystals: Application to TiSi₂[J]. Journal of Applied Physics, 1998, 84(9): 4891-4904.
[12]Chen J, Lai Y S, Ren C Y, et al. First-principles calculations of elastic properties of Cu₃Sn superstructure[J]. Applied Physics Letters, 2008, 92(8): 081901.
[13]Hearmon R F S, Maradudin A A. An introduction to applied anisotropic elasticity [J]. Physics Today, 1961, 14(10): 48.
[14]Niu H, Niu S, Oganov A R. Simple and accurate model of fracture toughness of solids[J]. Journal of Applied Physics, 2019, 125(6): 065105.
[15]杨飘. 面心立方结构高熵合金相稳定性与弹性性质的第一性原理研究[D]. 南京: 南京理工大学, 2021.
Yang Piao. First-principles study of the phase stability and elastic properties of a face-centered cubic structured high-entropy alloy[D]. Nanjing: Nanjing University of Science and Technology, 2021.
[16]Kocks F, Tomé C, Wenk H R. Texture and Anisotropy. Preferred Orientations in Polycrystals and Their Effect on Material Properties[M]. Cambridge: Cambridge University Press, 2000.
[17]Nye J F. Physical Properties of Crystals[M]. Oxford: Oxford University Press, 1985.
[18]Liu X, Wang L, Xue Q. DLC-based solid-liquid synergetic lubricating coatings for improving tribological behavior of boundary lubricated surfaces under high vacuum condition[J]. Wear, 2011, 271(5): 889-898.
[19]黎敏, 孙鹏, 林兴明, 等. 热浸镀Zn-6Al-3Mg合金在循环盐雾环境中的腐蚀行为[J]. 电镀与涂饰, 2022, 41(21): 1515-1520.
Li Min, Sun Peng, Lin Xingming, et al. Corrosion behavior of hot-dip plated Zn-6Al-3Mg alloy in cyclic salt spray environment[J]. Electroplating and Finishing, 2022, 41(21): 1515-1520.

基于第一性原理的热浸镀Zn-Al-Mg镀层力学及耐蚀性能

Mechanical properties and corrosion resistance of hot-dipped Zn-Al-Mg coating based on first-principles

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