Tensile mechanical properties and fracture behavior of monolayer InSe under axial tension

Abstract

Based on a newly developed interatomic potential, the mechanical properties and fracture behavior of monolayer InSe are investigated by using the classical molecular dynamics method. We find that monolayer InSe exhibits excellent mechanical properties comparing with other two-dimensional materials. Especially, it can sustain an axial tensile strain of 27% in the zigzag direction at room temperature 300 K. Furthermore, the numerical results indicate that the monolayer InSe has an isotropy in the mechanical behaviors with the Youngs modulus being about 43 N/m both in the armchair and zigzag directions. We also discuss the effects of temperature and strain rate on the mechanical properties of monolayer InSe and find the high temperature-sensitivity. It’s found that the mechanical properties significantly decrease as the increasing temperature. In contrast, the mechanical properties has a relatively weak dependence on the strain rate. As the strain rate increases from 0.0002 to 0.0008 ps−1, Young’s modulus nearly keeps a constant. The fracture stress and strain in armchair direction only increase by 3.6% and 8.3%, respectively.