The Effects of Dislocation Dipoles on the Failure Strength of Wrinkled Graphene from Atomistic Simulation

Abstract

This research paper studies the fracture and mechanical properties of rippled graphene containing dislocation dipoles. The atomistic simulation is performed to study the deformation behavior of pristine and defective wrinkled graphene. Graphene wrinkling considerably decreases the ultimate tensile strength of graphene with and without defects but increases the fracture strain. For graphene with the dislocation dipoles, temperature increase slightly affects mechanical properties, in contrast to graphene and graphene with Stone–Wales defect. The extremely similar slopes of the stress-strain curves for graphene with the dislocation dipoles with different arms imply that the distance between dislocations in the dipole does not have noticeable effects on the elastic modulus and strength of graphene. Defects in graphene can also affect its wrinkling; for example, preventing wrinkle formation.

A comparison of interatomic interaction potentials in modeling elastic properties of pseudo-graphene crystals

“…As can be seen from the results presented in Table 1, the AIREBO potential shows the values for graphene that are comparable with the experimental (Lee et al 2008) and simulation data obtained using density functional theory (Wei et al 2009). This potential is quite often used in various studies of graphene and has proven to be effective (Akhunova et al 2022;Kochnev et al 2014). However, if graphene is taken as an ideal crystal, then pseudo-graphenes will be graphene crystals with a dense distribution of disclination defects.…”

Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne

“…Xie et al [ 38 ] investigated the mechanical properties of PSI-graphene under varying tensile angles. Akhunova et al [ 39 ] investigated the fracture and mechanical properties of defective and defect-free rippled graphene. The results indicate that wrinkling significantly reduces the ultimate tensile strength and Young’s modulus of graphene, while increasing the fracture strain.…”