Fracture of 28 buckled two-dimensional hexagonal sheets

Abstract

Mode-I stress intensity factors are estimated for 28 buckled two-dimensional hexagonal materials, including 6 mono-elemental (silicene, indiene, blue phosphorene, arsenene, antimonene and bismuthene) and 22 binary (CS, CSe, CTe, SiO, SiS, SiSe, SiTe, SiGe, GeO, GeS, GeSe, GeTe, SnO, SnS, SnSe, SnTe, SnGe, SnSi, InAs, InSb, GaAs and AlSb) two-dimensional materials. The crack-tip displacement field revealed from linear elastic fracture mechanics is adopted to find the stress intensity factor. Atomic-scale finite element method with Stillinger-Weber potentials is used to simulate the tensile tests. Mode-I stress intensity factors of these 28 two-dimensional materials appear ≤ 0.8 $\text{MPa}\sqrt{\mathrm{m}},$ which are very small in comparison with boronitrene and graphene. Most of them exhibit their fracture toughness below 0.5 $\text{MPa}\sqrt{\mathrm{m}}.$ Our findings are helpful in the design of nano-devices with these two-dimensional materials.

Keywords:

• Atomistic simulation
• 2D materials
• fracture
• hexagonal sheets
• stress intensity factor

Additional information

Funding

This work was supported by Vietnam National Foundation for Science and Technology Development (NAFOSTED) under the grant number 107.02-2020.09.