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 parame-ters, 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.
|State||Published - Nov 2021|
Bibliographical noteFunding Information:
The Deanship of Scientific Research (DSR) at King Fahd University of Petroleum and Minerals (KFUPM) is acknowledged for its financial support through the project DF201020. Acknowledgments: This research used the resources of the Supercomputing Laboratory at King Abdullah University of Science Technology (KAUST) in Thuwal, Saudi Arabia.
Funding: The Deanship of Scientific Research (DSR) at King Fahd University of Petroleum and Minerals (KFUPM) is acknowledged for its financial support through the project DF201020.
© 2021 by the authors. Licensee MDPI, Basel, Switzerland.
- Crack angle
- Fracture toughness
- Mechanical properties
- Strain rate
ASJC Scopus subject areas
- Chemical Engineering (all)
- Materials Science (all)
- Condensed Matter Physics
- Inorganic Chemistry