Zhou Jinjie, Xian Fankai, Shen Jinchuan
School of Mechanical Engineering, North University of China, Taiyuan 030051, China.
Nanomaterials (Basel). 2023 Mar 30;13(7):1231. doi: 10.3390/nano13071231.
The crack propagation mechanism of Cu nanowires is investigated by using molecular dynamics methods. The microstructural evolution of crack propagation at different strain rates and crack depths is analyzed. Meanwhile, the stress intensity factor at the crack tip during crack propagation is calculated to describe the crack propagation process of Cu nanowires under each condition. The simulation results show that the competition between lattice recovery and dislocation multiplication determines the crack propagation mode. Lattice recovery dominates the plastic deformation of Cu nanowires at low strain rates, and the crack propagation mode is shear fracture. With the increase in strain rate, the plastic deformation mechanism gradually changes from lattice recovery to dislocation multiplication, which makes the crack propagation change from shear fracture to ductile fracture. Interestingly, the crack propagation mechanism varies with crack depth. The deeper the preset crack of Cu nanowires, the weaker the deformation resistance, and the more likely the crack propagation is accompanied.
采用分子动力学方法研究了铜纳米线的裂纹扩展机制。分析了不同应变率和裂纹深度下裂纹扩展的微观结构演变。同时,计算了裂纹扩展过程中裂纹尖端的应力强度因子,以描述各条件下铜纳米线的裂纹扩展过程。模拟结果表明,晶格恢复与位错增殖之间的竞争决定了裂纹扩展模式。在低应变率下,晶格恢复主导铜纳米线的塑性变形,裂纹扩展模式为剪切断裂。随着应变率的增加,塑性变形机制逐渐从晶格恢复转变为位错增殖,使得裂纹扩展从剪切断裂转变为韧性断裂。有趣的是,裂纹扩展机制随裂纹深度而变化。铜纳米线预设裂纹越深,抗变形能力越弱,裂纹扩展越容易伴随发生。