| Effect of nickel segregation on CuΣ9 grain boundary undergone shear deformations |
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| 引用本文： | 刘湘月,张红,程新路.Effect of nickel segregation on CuΣ9 grain boundary undergone shear deformations[J].中国物理 B,2018(6). |
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| 作者姓名： | 刘湘月 张红 程新路 |
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| 摘 要： | Impurity segregation at grain boundary(GB) can significantly affect the mechanical behaviors of polycrystalline metal. The effect of nickel impurity segregated at Cu GB on the deformation mechanism relating to loading direction is comprehensively studied by atomic simulation. The atomic structures and shear responses of Cu Σ9(114) 110 and Σ9(221) 110 symmetrical tilt grain boundary with different quantities of nickel segregation are analyzed. The results show that multiple accommodative evolutions involving GB gliding, GB shear-coupling migration, and dislocation gliding can be at play, where for the 2ˉ21ˉ shear of Σ9(114) 110 the segregated GBs tend to maintain their initial configurations and a segregated GB with a higher impurity concentration is more inclined to be a dislocation emission source while maintaining the high mechanical strength undergone plastic deformation for the 11ˉ4ˉ shear of Σ9(221) 110. It is found that the nickel segregated GB exerts a cohesion enhancement effect on Cu under deformation: strong nickel segregation increases the work of separation of GB, which is proved by the first-principles calculations.
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