Pseudo Hall-Petch strength reduction in polycrystalline graphene.

@article{Song2013PseudoHS,
  title={Pseudo Hall-Petch strength reduction in polycrystalline graphene.},
  author={Zhigong Song and Vasilii I. Artyukhov and Boris I. Yakobson and Zhiping Xu},
  journal={Nano letters},
  year={2013},
  volume={13 4},
  pages={
          1829-33
        }
}
The fracture of polycrystalline graphene is explored by performing molecular dynamics simulations with realistic finite-grain-size models, emphasizing the role of grain boundary ends and junctions. The simulations reveal a ~50% or more strength reduction due to the presence of the network of boundaries between polygonal grains, with cracks preferentially starting at the junctions. With a larger grain size, a surprising systematic decrease of tensile strength and failure strain is observed… Expand
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. Expand
Atomistic modeling of mechanical properties of polycrystalline graphene.
TLDR
The MD results suggest that the ultra-fine-grained graphene structures can show ultrahigh tensile strength and elastic modulus values that are very close to those of pristine graphene sheets. Expand
Synergistic effects of grain boundaries and edges on fatigue deformations of sub-5 nm graphene nanoribbons
Abstract Polycrystalline graphene nanoribbons usually experience a brittle rupture before failure, and the irreversible breaking occurs in grain boundaries (GBs). In this paper, molecular dynamicExpand
Molecular dynamics study of fracture toughness and trans-intergranular transition in bi-crystalline graphene
Abstract We investigate the deformation and fracture behaviors of pristine and bi-crystalline graphenes by molecular dynamics simulations. For pristine graphene with a pre-crack, fracture toughnessExpand
Molecular mechanics of polycrystalline graphene with enhanced fracture toughness
Abstract Although polycrystalline graphene generated by chemical vapor deposition features defects at grain boundaries, experimental results show that the strength of polycrystalline graphene isExpand
Size-dependent deformation behavior of nanocrystalline graphene sheets
Abstract Molecular dynamics (MD) simulation is conducted to study the deformation behavior of nanocrystalline graphene sheets. It is found that the graphene sheets have almost constant fractureExpand
The transition from an inverse pseudo Hall-Petch to a pseudo Hall-Petch behavior in nanocrystalline graphene
Abstract We perform a molecular dynamics simulation to investigate the effect of grain size on the material properties of nanocrystalline graphene, which inherently behaves like brittle material.Expand
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 scientificExpand
Electronic properties of polycrystalline graphene under large local strain
To explore the transport properties of polycrystalline graphene under large tensile strain, a strain device has been fabricated using piezocrystal to load local strain onto graphene, up to 22.5%.Expand
Characterizing thermal conduction in polycrystalline graphene
Thermal conduction was explored and discussed through a combined theoretical and simulation approach in this work. The thermal conductivity k of polycrystalline graphene was calculated by molecularExpand
...
1
2
3
4
5
...

References

SHOWING 1-10 OF 57 REFERENCES
Atomistic study on the strength of symmetric tilt grain boundaries in graphene
Molecular dynamics (MD) simulations were employed to study the mechanical response of various bicrystal graphene consisting of symmetric tilt boundary subject to uniaxial tensile loading at roomExpand
Mechanical and thermal transport properties of graphene with defects
The roles of defects including monatomic vacancies and Stone-Wales dislocations in the mechanical and thermal properties of graphene are investigated here through molecular dynamics (MD) simulations.Expand
Intrinsic strength and failure behaviors of graphene grain boundaries.
TLDR
The mechanical properties of 20 representative graphene grain boundaries were studied using density functional theory and molecular dynamics to form a useful picture of the grain boundary effect on the mechanical propertiesof polycrystalline graphene. Expand
A theoretical evaluation of the temperature and strain-rate dependent fracture strength of tilt grain boundaries in graphene
Abstract Based on molecular dynamic simulations, we investigate the effects of temperature and strain rate on the strength of single layer graphene with tilt grain boundaries under tension. TheExpand
Mechanical properties of polycrystalline graphene based on a realistic atomistic model
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 realisticExpand
Ripping graphene: preferred directions.
TLDR
This study provides significant insights into breakdown mechanisms of graphene in the presence of defective structures such as cracks and grain boundaries, and investigates the crystallographic orientations of tears. Expand
Topological defects in graphene: Dislocations and grain boundaries
Topological defects in graphene, dislocations and grain boundaries, are still not well understood despite the considerable number of experimental observations. We introduce a general approach forExpand
Structural, chemical, and dynamical trends in graphene grain boundaries
Grain boundaries are topological defects that often have a disordered character. Disorder implies that understanding general trends is more important than accurate investigations of individual grainExpand
The mechanical responses of tilted and non-tilted grain boundaries in graphene
Abstract Various mechanical characteristics of tilted and non-tilted grain boundaries in graphene were investigated under tension and compression in directions perpendicular and parallel to the grainExpand
Strength of graphenes containing randomly dispersed vacancies
In the present work, the tensile strength of graphenes containing randomly dispersed vacancies is predicted using an atomistic-based continuum progressive fracture model. The concept of the model isExpand
...
1
2
3
4
5
...