Shear buckling of rippled graphene by molecular dynamics simulation

Xiang, Yang; Shen, Hui‐Shen

doi:10.1016/j.mtcomm.2015.01.001

Cited by 20 publications

(6 citation statements)

References 41 publications

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“…Under certain conditions (related to violation of inextensibility assumptions) it has been found that continuum theories cannot capture wrinkling phenomena at the nanoscale for suspended graphene over trenches 37 or under shear loadings 38 . However, herein, the wrinkling wavelength estimated by Winkler's model for the embedded graphene agrees well with the simulations.…”

Section: Embedded Graphene Under Compressionmentioning

confidence: 99%

Compression behavior of simply-supported and fully embedded monolayer graphene: Theory and experiment

Koukaras

Androulidakis

Anagnostopoulos

et al. 2016

Extreme Mechanics Letters

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Single layer graphene simply-supported on a polymer substrate was subjected to axial compression and its behavior upon loading was monitored with laser Raman spectroscopy (LRS). The graphene was found to fail by wrinkling (buckling) at a critical strain of −0.30% and at a compressive stress of ~1.6 GPa, as revealed by the conversion of the spectroscopic data to actual stress-strain curves. This contrasts with the value of -0.60% and stress of ~3.8 GPa required for failure initiation in the fully embedded case. To elucidate the failure mechanisms in the two cases examined, molecular dynamics simulations employing the AIREBO potential were performed. We assess the impact of surface roughness, graphene-polymer interaction, and of thermal (phonon) ripples on the onset of wrinkle formation. Overall good agreement was found between theory and experiment. As argued herein, the understanding and control of out-of-plane phenomena upon mechanical loading of graphene are important prerequisites for the design and function of new graphene-based devices.

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Section: Embedded Graphene Under Compressionmentioning

confidence: 99%

Compression behavior of simply-supported and fully embedded monolayer graphene: Theory and experiment

Koukaras

Androulidakis

Anagnostopoulos

et al. 2016

Extreme Mechanics Letters

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“…Two-dimensional (2D) structures of graphene [1], silicene, boron nitride [2,3] and MoS 2 [4] monolayers have attracted intensive attentiondue to their novel properties. Meanwhile, a wide range of applications in nanoelectronics have adop-tedtubular nanostructures such as carbon nanotubes (CNTs) [5], boron nitride nanotubes (BNNTs) [6] and silicon carbide nanotubes (SiCNTs) [7], thanks to their stable struc-ture [5,8,9], robust mechanical behavior [7,[10][11][12], and remarkable electrical properties [13,14]. The black phosphorus monolayer (BPM) is a new member of the2D materials.…”

Section: Introductionmentioning

confidence: 99%

Effects of intrinsic strain on the structural stability and mechanical properties of phosphorene nanotubes

et al. 2016

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Using molecular dynamics simulations, we explore the structural stability and mechanical integrity of phosphorene nanotubes (PNTs), where the intrinsic strain in the tubular PNT structure plays an important role. It is proposed that the atomic structure of larger-diameter armchair PNTs (armPNTs) can remain stable at a higher temperature, but the high intrinsic strain in the hoop direction renders zigzag PNTs less favorable. The mechanical properties of PNTs, including Young's modulus and fracture strength, are sensitive to the diameter, showing a size-dependence. A simple model is proposed to express Young's modulus as a function of the intrinsic axial strain, which in turn depends on the diameter of the PNTs. In addition, the compressive buckling of armPNTs is length-dependent, and instability modes transitioning from column buckling to shell buckling are observed as the ratio of the diameter/length increases.

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“…It was found that the wavelength decreases with an increase in shear loading, while the amplitude was found to initially increase and then become stable [18]. The shear buckling mode of rectangular graphene sheets obtained from the MD simulations is different from the one as predicted by continuum mechanics models [19]. In particular, the simulation results revealed that the graphene wrinkling strongly depends on the scale of graphene [20,21].…”

Section: Introductionmentioning

confidence: 78%

Small-size effect on wrinkle and fracture of monolayer graphene subjected to in-plane shear

Zhao

Guo²,

Lu³

2017

Nanotechnology

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Controlling surface patterns are useful in a wide range of applications including flexible electronics, biological templates, microelectromechanical systems and device fabrication. The present paper investigates the wrinkling and fracture of graphene subjected to in-plane shear. It is found that the size of a graphene sheet has significant effect on the wrinkle and fracture based on both molecular dynamics simulation and nonlocal plate theory. The analytical expressions for wrinkle amplitude and wavelength are deduced. The nonlocal parameter of nonlocal plate theory is evaluated. Furthermore, the higher aspect ratio has enhanced the wrinkle resistance and shear strength of graphene. Temperature and chirality have insignificant impact on the wrinkling, but significantly influence the fracture of the graphene sheet. This work is expected to provide a better understanding of the mechanism of nanometer scale wrinkles.

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Shear buckling of rippled graphene by molecular dynamics simulation

Cited by 20 publications

References 41 publications

Compression behavior of simply-supported and fully embedded monolayer graphene: Theory and experiment

Compression behavior of simply-supported and fully embedded monolayer graphene: Theory and experiment

Effects of intrinsic strain on the structural stability and mechanical properties of phosphorene nanotubes

Small-size effect on wrinkle and fracture of monolayer graphene subjected to in-plane shear

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