Mechanical properties of polycrystalline graphene based on a realistic atomistic model

@article{Kotakoski2012MechanicalPO,
  title={Mechanical properties of polycrystalline graphene based on a realistic atomistic model},
  author={Jani Kotakoski and Jannik C. Meyer},
  journal={Physical Review B},
  year={2012},
  volume={85},
  pages={195447}
}
Graphene can at present be grown at large quantities only by the chemical vapor deposition method, which produces polycrystalline samples. Here, we describe a method for constructing realistic polycrystalline graphene samples for atomistic simulations, and apply it for studying their mechanical properties. We show that cracks initiate at points where grain boundaries meet and then propagate through grains predominantly in zigzag or armchair directions, in agreement with recent experimental work… 

Figures from this paper

Mechanisms and criteria for failure in polycrystalline graphene

Grain Size Effect on Mechanical Properties of Polycrystalline Graphene

Characteristics of nanocrystalline materials are known substantially dependent on the microstructure such as grain size, crystal orientation, and grain boundary. Thus it is desired to have systematic

Transport properties through graphene grain boundaries: strain effects versus lattice symmetry.

TLDR
It is shown that strain engineering can be used to open a finite transport gap in all graphene systems where the two domains are arranged in different orientations, and these graphene heterostructures are proposed to be promising candidates for highly sensitive strain sensors, flexible electronic devices and p-n junctions with non-linear I-V characteristics.

Hydrogenated Grain Boundaries Control the Strength and Ductility of Polycrystalline Graphene

In the growth of polycrystalline graphene via chemical vapor deposition, grain boundaries (GBs) were shown to be energetically favorable sites for hydrogenation. Thus, it is of both scientific

Nanoindentation Response of Polycrystalline Graphene by Atomistic Simulations

Nanoindentation has been widely used to determine the mechanical properties of pristine and polycrystalline graphene in experiments. To investigate the effects of grain size on the mechanical

Mechanism of strength reduction along the graphenization pathway

TLDR
The results suggest that targeting highly disordered states might be a convenient way to obtain improved mechanical properties, as obtained from a long molecular dynamics simulation at an elevated temperature.

Inverse Pseudo Hall-Petch Relation in Polycrystalline Graphene

TLDR
This work shows that polycrystalline graphene fails in a brittle mode and grain boundary junctions serve as the crack nucleation sites, and shows that its breaking strength and average grain size follow an inverse pseudo Hall-Petch relation, in agreement with experimental measurements.
...

References

SHOWING 1-7 OF 7 REFERENCES

Carbon Nanotubes

A wavelength-dependent, near-infrared pump-probe study has been performed on micelle-suspended Single-Walled Carbon Nanotubes (SWNTs) whose linear absorption spectra show chirality-assigned peaks.

I and J

ACS Nano 5

  • 2142
  • 2011

Physica Scripta T54

  • 34
  • 1995

Nano letters 12

  • 293
  • 2012

Journal of Physics: Condensed Matter 14

  • 783
  • 2002

Science 321

  • 385
  • 2008