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、MgZn_(2)、Mg_(2)Zn_(11)这3种主要成分在镀层表面的作用。计算发现,Mg_(2)Zn_(11)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MgZn_(2)提升热浸镀Zn-Al-Mg镀层耐蚀性能的原因。发现MgZn_(2)中Mg原子可以有效地保护Zn原子,阻碍Cl^(-)对MgZn_(2)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。
Effect of Zn,MgZn_(2)and Mg_(2)Zn_(11)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 Mg_(2)Zn_(11)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 MgZn_(2)improves the corrosion resistance of the hot-dipped Zn-Al-Mg coating is revealed.Mg atoms in MgZn_(2)are found to effectively protect Zn atoms and hinder the corrosion of Zn atoms in MgZn_(2)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.
作者
石建强
张思远
江海涛
李守华
曹晓恩
田世伟
Shi Jianqiang;Zhang Siyuan;Jiang Haitao;Li Shouhua;Cao Xiaoen;Tian Shiwei(Handan Steel Co.,Ltd.,HBIS Group,Handan Hebei 056015,China;Institute of Engineering and Technology,University of Science and Technology Beijing,Beijing 100083,China)
出处
《金属热处理》
CAS
CSCD
北大核心
2023年第6期211-218,共8页
Heat Treatment of Metals
基金
国家重点研发计划(2016YFB0101600)
国家自然科学基金(52201035)。