Damage micromechanics properties of bicrystalline α-Fe metals with two-voids

Molecular dynamics simulation has been performed to investigate micromechanics mechanism of two-voids at ∑3<110>{111} and ∑3<110>{121} grain boundaries (GBs) in bicrystalline α-Fe metals. The results show that micromechanics behaviors are tailored by two-voids with different distances and GB types, and these lead to the disparately abnormal fracture characteristics. It is of interest to notice that there exists a strong attraction with ∑3<110>{111}GB and voids, and that eventual fracture is on the GB plane; In contrast, considering more stable GB structure, ∑3<110>{121}GB only occurs to migrate instead, and fracture process mainly be controlled by voids broken down into small vacancy clusters, which leads models to fracture consequently.