Two-dimensional interface superstructures assembled by well-ordered solute atoms  

作　　者：Peijun Yang Shanshan Li Hongbo Xie Jianfeng Jin Chuangwei Liu Hucheng Pan Yuping Ren Weitao Jia Yaping Zong Gaowu Qin 

机构地区：[1]Key Laboratory for Anisotropy and Texture of Materials(Ministry of Education),School of Materials Science and Engineering,Northeastern University,Shenyang 110819,China [2]School of Mechanical and Power Engineering,Shenyang University of Chemical Technology,Shenyang 110142,China [3]College of Mechanical Engineering,Taiyuan University of Science and Technology,Taiyuan 030024,China

出　　处：《Journal of Materials Science & Technology》2023年第11期253-259,共7页材料科学技术（英文版）

基　　金：financially supported by the National Key Research and Development Program of China(No.2021YFB3701002);the National Natural Science Foundation of China(No.52101129);the Fundamental Research Funds for the Central Universities(Nos.N2202013 and N2007011).

摘　　要：Segregation of solutes/impurities in the interfaces plays a decisive role in material performances.However,the segregation of solutes/impurities remains elusive due to the diversity of interfacial structures.Here,in a Mg-Nd-Mn ternary model system,two ordered novel two-dimensional(2D)interfacial superstructures formed by periodic segregation of solute atoms in special symmetric and asymmetric tilt grain boundaries(GBs)have been systematically investigated.Z-Contrast high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM)observations provided the atomic-level details on how solute atoms were arranged on these special partially coherent tilt GBs.The strained conditions of each atomic site at the tilt GBs were accurately reproduced by molecular dynamics(MD)simulations plus Voronoi analysis,and the rationality of solute segregation in each atomic-site was evaluated carefully based on the first-principles calculations.These findings expand our knowledge of solute/impurity segregation behaviors in the interfaces,especially the co-segregation behaviors in multi-component materials.

关 键 词：Magnesium alloy Interfacial segregation Molecular dynamics FIRST-PRINCIPLES HAADF-STEM 

分 类 号：TQ174.758.12[化学工程—陶瓷工业]