Effects of Crack Formation on the Mechanical Properties of Bilayer Graphene: A Comparative Analysis

Abstract

We present a molecular dynamics simulation study on the effects of crack formation on the mechanical properties of bilayer graphene. Bilayer graphene possesses unique electronic properties that can be modified by applying a voltage, making it an attractive material for various applications. We examined how the mechanical properties of bilayer graphene vary under various crack configurations and temperatures, measuring Young’s modulus, fracture toughness, fracture strain, and fracture stress. We compared the effect of crack presence on single and both layers and found the appearance of double peaks in the stress–strain curves in the case of a monolayer crack, indicating a subsequent fracture of the cracked layer and the uncracked layer. We also examined the effect of crack shape, size, and orientation on mechanical properties, including circular, hexagonal, and rectangular cracks along two axes. We found that both circular and hexagonal cracks had a smaller Young’s modulus and toughness than rectangular cracks, and the orientation of the crack had a significant impact on the mechanical properties, with a 2.5-times higher toughness for cracks with a length of 15Å. Additionally, we found that Young’s modulus decreases with increasing temperature in bilayer graphene with cracks on both layers. Our findings provide valuable insights into the potential applications of bilayer graphene in the design of advanced nanoscale electronic devices.

Mechanics and Crack Analysis of Irida Graphene Bilayer Composite: A Molecular Dynamics Study

“…Comparing previous studies on bilayer graphene [42], it was found that when the number of atoms is the same in a monolayer, the fracture stress of bilayer graphene is less than that of monolayer graphene. The same situation exists when comparing monolayer irida graphene with bilayer irida graphene.…”

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

“…Sun et al [ 49 ] investigated the impact of vacancy defects on the mechanical characteristics of graphene, revealing that vacancy defects induce stress concentration, leading to a reduction in failure strength by approximately 17.7% due to a single vacancy. Yu et al [ 50 ] conducted a comparative analysis on the influence of geometric shape and orientation of cracks on the mechanical properties of graphene. Yin et al [ 51 ] explored the applicability of the Griffith criterion, designed for continuous medium theory, in discrete atomic systems.…”

Enhancing the Mechanical Stability of 2D Fullerene with a Graphene Substrate and Encapsulation

“…Carbon-based materials have garnered significant attention due to their versatile and promising applications, in particular, extensive research has focused on the exploration of two-dimensional (2D) carbon materials [ 1 , 2 , 3 ]. The excellent mechanical properties have been widely studied in many aspects, for example, the tensile strength on monolayer and bilayer graphene, the defect influence, the magic angle graphene and the phase transition induced by strain [ 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 ]. On the other hand, the fullerene system is one of the prominent candidates for future electronic applications as recently proposed in [ 26 ].…”