Abstract
Graphene is a type of 2D material with unique properties and promising applications. Fracture toughness and the tensile strength of a material with cracks are the most important parameters, as micro-cracks are inevitable in the real world. In this paper, we investigated the mechanical properties of triangular-cracked single-layer graphene via molecular dynamics (MD) simulations. The effect of the crack angle, size, temperature, and strain rate on the Young’s modulus, tensile strength, fracture toughness, and fracture strain were examined. We demonstrated that the most vulnerable triangle crack front angle is about 60°. A monitored increase in the crack angle under constant simulation conditions resulted in an enhancement of the mechanical properties. Minor effects on the mechanical properties were obtained under a constant crack shape, constant crack size, and various system sizes. Moreover, the linear elastic characteristics, including fracture toughness, were found to be remarkably influenced by the strain rate variations.
Highlights
Graphene is a two-dimensional (2D) material comprised of sp2 carbon atoms that are regularly arranged in periodic hexagons, producing a honeycomb lattice structure [1]
The stress–strain relationship plays a key role in the characterization of the mechanical properties of materials
We reported on a systematic study of the influence of crack angle on the mechanical behavior of single-layer graphene
Summary
Graphene is a two-dimensional (2D) material comprised of sp carbon atoms that are regularly arranged in periodic hexagons, producing a honeycomb lattice structure [1]. Graphene has garnered considerable attention due to its remarkable mechanical and physical characteristics It plays a significant role in the strengthening of composite materials [2,3,4,5] and is the primary building block of 1D carbon nanotubes and 3D graphite structures [6]. Studying the mechanical characteristics and deformation physics of graphene is crucial from a technological point of view due to its potential use in numerous applications. It is utilized in several electrical, thermal, and mechanical applications [7,8,9]. It is believed to be one of the strongest materials [17,18]
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