Atomistic modeling for mechanism of crack cleavage extension on nano-scale

作者:Gao, Ying-jun*; Deng, Qian-qian; Huang, Li-lin; Ye, Li; Wen, Zhen-chuan; Luo, Zhi-rong
来源:Computational Materials Science, 2017, 130: 64-75.
DOI:10.1016/j.commatsci.2017.01.003

摘要

The crack cleavage extension on nanoscale within the triangular lattice of a fcc materials is addressed. The crack propagation behavior of the sample without and with different pre-straining level under tensile strain is simulated using the advanced phase field crystal (PFC) method. It can be founded that for samples with pre-straining along [(1) over bar 1 0] of X direction, the crack propagation characteristics of the extending turning-extending are presented, which appears the zigzag edge of the crack; while for samples with pre-straining along [(1) over bar (1) over bar 2] of Y direction, the crack propagation at the later stage presents longer cleavage crack extension along with the stress concentration of the dislocation at crack tip, which direction is about [1 (2) over bar 1] and [(1) over bar 2 (1) over bar]. The PFC model combined with the diatomic spring model is used to reveal the mechanism of the cleavage crack start-up and extension on nano-scale.