基于微觀結構的多晶Cu納米壓痕表面缺陷研究

基于微觀結構的多晶Cu納米壓痕表面缺陷研究Research of Surface Defects of Polycrystalline Copper Nanoindentation Based on Microstructures

本文基于多晶材料的微觀拓撲結構，從多晶銅納米壓痕中晶粒內部、晶界面、三叉晶界和頂點團等四類微觀結構與缺陷結構的配位數、內應力、原子勢能等方面研究了壓痕表面位錯缺陷的演化機制。結果表明：當高維度數的微觀結構承載壓應力時，與其鄰近的低維度數微觀結構表現為拉應力，且更低維度數的微觀結構（頂點團）更易表現為拉應力；位錯缺陷形核時其原子具有較高的內應力與原子勢能，擴展時其邊緣的不完全位錯原子內應力高于內部堆垛層錯原子內應力；位錯形核與擴展和內應力的累積與釋放具有相似的方向性，首先擴展至低維數的頂點團、三叉晶界，而后傳遞至高維數的晶界面并止于晶界面。

In the present technology, the manufacture of MEMS and NEMS are limited by the lack of mechanism of material processing, especially the mechanism of the polycrystalline materials. In this work, based on the microstructures of polycrystalline copper, the evolution mechanism of dislocations on the polycrystalline copper nanoindentation surface is researched by the four types of microstructures in polycrystalline materials, including grain cell, grain boundary, triple junction and vertex points. In addition, the coordination number, internal stress and atomic potential energy of the dislocations defects are also considered. The results show that when the microstructures with high dimension number carrying the compressive stress, the adjacent microstructures with low dimension number appear tensile stress and the microstructures with lower dimension number like vertex points is more likely to appear tensile stress. The dislocation atoms accumulate high internal stress and atomic potential energy during the dislocation nucleation. The internal stress of the imperfect dislocation atoms at the dislocation edge is higher than that of the stacking layer atoms inside the dislocations during the dislocation growth. The process of nucleation and growth, and the internal stress accumulation and release are both have similar directionality. They both firstly extended to the microstructures with lower dimension number like vertex points and triple junction, then expend to and stop at the grain boundary with high dimension number.

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