Anomalous Strength Characteristics of Tilt Grain Boundaries in Graphene

  title={Anomalous Strength Characteristics of Tilt Grain Boundaries in Graphene},
  author={Rassin Grantab and Vivek B. Shenoy and Rodney S. Ruoff},
  pages={946 - 948}
Perfect Imperfections Graphene is composed of six-atom rings, but will include a number of five- and seven-atom rings as defects. Using simulations, Grantab et al. (p. 946) show that more defects do not necessarily lead to greater deterioration of mechanical properties. Mismatches caused by differences in the orientation of neighboring crystals are divided into low- and high-angle grain boundaries, and typically it is the lower-angle boundaries that are stronger. In graphene, by contrast, the… 

Intrinsic strength and failure behaviors of graphene grain boundaries.

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.

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 room

Strength of graphene grain boundaries under arbitrary in-plane tension

Deformation and fracture behavior of bicrystal graphene: an atomic level simulation

In this study, extensive molecular dynamics simulations were carried out to investigate failure processes along different symmetric tilt grain boundaries (STGB) of bicrystal graphene sheet. Two

Molecular Simulation of Fracture Dynamics of Symmetric Tilt Grain Boundaries in Graphene

Atomistic simulations were utilized to obtain microscopic information of the elongation process in graphene sheets consisting of various embedded symmetric tilt grain boundaries (GBs). In contrast to

Grain boundaries orientation effects on tensile mechanics of polycrystalline graphene

Molecular dynamics simulations were performed to investigate how the orientation of grain boundary (GB) affects the tensile mechanics of polycrystalline graphene, where two opposite GB groups, i.e.,

Effect of temperature and strain-rate on mechanical properties of defected graphene sheet: A molecular dynamics study

Graphene, a one atom thick sheet of carbon exhibits outstanding mechanical properties, but defects which are unavoidable at the time of synthesis may strongly affect, such as intrinsic properties and



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 for

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 grain

Direct evidence for atomic defects in graphene layers

Observations in situ of defect formation in single graphene layers by high-resolution TEM are reported and are expected to be of use when engineering the properties of carbon nanostructures for specific device applications.

Mechanics of defects in carbon nanotubes: Atomistic and multiscale simulations

Molecular mechanics (MM) calculations together with coupling methods bridging MM and finite crystal elasticity are employed to simulate the fracture of defected carbon nanotubes (CNTs) and to compare

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

Graphene is established as the strongest material ever measured, and atomically perfect nanoscale materials can be mechanically tested to deformations well beyond the linear regime.

Graphene: Status and Prospects

This review analyzes recent trends in graphene research and applications, and attempts to identify future directions in which the field is likely to develop.