Rupture of graphene sheets with randomly distributed defects

Nasiri, Samaneh; Zaiser, Michael

doi:10.3934/matersci.2016.4.1340

Cited by 16 publications

(9 citation statements)

References 12 publications

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“…Samaneh Nasiri [19] investigated the statistical failures analysis in graphene monolayer considering random defects distribution by varying both size and defects concentration. Liu Chu et al [20] also investigated the effects of random vacancy defects and the tendency due to elastic buckling in single-layer graphene.…”

Section: Introductionmentioning

confidence: 99%

Mechanical Properties of Monolayer MoS2 with Randomly Distributed Defects

et al. 2020

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The variation of elastic constants stiffness coefficients with respect to different percentage ratios of defects in monolayer molybdenum disulfide (MLMoS2) is reported for a particular set of atomistic nanostructural characteristics. The common method suggested is to use conventional defects such as single vacancy or di vacancy, and the recent studies use stone-walled multiple defects for highlighting the differences in the mechanical and electronic properties of 2D materials. Modeling the size influence of monolayer MoS2 by generating defects which are randomly distributed for a different percentage from 0% to 25% is considered in the paper. In this work, the geometry of the monolayer MoS2 defects modeled as randomized over the domain are taken into account. For simulation, the molecular static method is adopted and study the effect of elastic stiffness parameters of the 2D MoS2 material. Our findings reveals that the expansion of defects concentration leads to a decrease in the elastic properties, the sheer decrease in the elastic properties is found at 25%. We also study the diffusion of Molybdenum (Mo) in Sulphur (S) layers of atoms within MoS2 with Mo antisite defects. The elastic constants dwindle in the case of antisite defects too, but when compared to pure defects, the reduction was to a smaller extent in monolayer MoS2. Nevertheless, the Mo diffusion in sulfur gets to be more and more isotropic with the increase in the defect concentrations and elastic stiffness decreases with antisite defects concentration up to 25%. The distribution of antisite defects plays a vital role in modulating Mo diffusion in sulfur. These results will be helpful and give insights in the design of 2D materials.

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Section: Introductionmentioning

confidence: 99%

Mechanical Properties of Monolayer MoS2 with Randomly Distributed Defects

et al. 2020

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“…Carbon nanotubes (CNT) possess excellent mechanical properties in terms of axial elastic stiffness and rupture strength [1,2,3]. It is therefore an obvious question whether these properties can be harnessed for structural applications, for instance, by using CNT as fillers in nanocomposites with low-melting lightweight metals such as Al or Mg as matrix.…”

Section: Introductionmentioning

confidence: 99%

Nickel coated carbon nanotubes in aluminum matrix composites: a multiscale simulation study

et al. 2019

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In this work we use density functional theory (DFT) calculations to benchmark empirical potentials for the interaction between nickel and sp 2 bonded carbon nanoparticles. These potentials are then used in order to investigate how Ni decorated or coated carbon nanotubes (CNT) affect the mechanical properties of Al/CNT composites. In particular we look at the pull-out behaviour of pristine as well as Ni-decorated and Ni-coated CNT from an Al matrix. Our result shows that Ni coating may produce an extended interface (interphase) where a significant amount of energy is dissipated during CNT pull-out, leading to a high pull-out force. We also demonstrate that surface decorated CNT may act as efficient nano-crystallization agents and thus provide a novel strengthening mechanism not previously discussed in the literature. We discuss our results in view of promising approaches for engineering CNT-metal interfaces such as to achieve high strength metal-CNT composites. arXiv:1907.05086v1 [cond-mat.mtrl-sci]

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“…Carbon nanoparticles (CNPs), due to their excellent mechanical and structural properties, can significantly improve the mechanical properties of metal or polymer matrices [1][2][3][4][5][6][7][8][9]. Carbon nanotubes (CNTs) exhibit a length-to-diameter ratio (aspect ratio) as high as 1.3e+08 ( [10][11][12]), Young's modulus values of ∼ 1 TPa, tensile strength > 100 GPa, and failure strains of 15-30% depending on chirality for defectfree single-walled CNTs.…”

Section: Introductionmentioning

confidence: 99%

Atomistic aspects of load transfer and fracture in CNT-reinforced aluminium

Nasiri¹,

Wang²,

Yang³

et al. 2021

Preprint

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This paper describes atomistic simulations of deformation and fracture of Al reinforced with carbon nanotubes (CNTs). We use density functional theory (DFT) to understand the energetics of Al-graphene interfaces and gain reference data for the parameterization of Al-C empirical potentials. We then investigate the load transfer between CNTs and Al and its effect on composite strengthening. To this end, we perform uniaxial tensile simulations of an Al crystal reinforced with CNTs of various volume fractions. We also study the interaction of the embedded CNTs with a crack. We show that the interaction between CNTs and Al is weak such that, under tensile loading, CNTs can easily slide inside the Al matrix and get pulled out from the cracked surface. This effect is almost independent of CNT length and volume fraction. Little load transfer and consequently no crack bridging are observed during the simulation of pristine CNTs threading the crack surfaces. CNTs that are geometrically fixated inside Al, on the other hand, can increase the fracture stress and enhance plastic dissipation in the matrix. CNTs located in front of a growing crack blunt the crack and induce plastic deformation of the Al matrix. Depending on the CNT orientation, these processes can either increase or decrease the failure stress of the composite.

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Rupture of graphene sheets with randomly distributed defects

Cited by 16 publications

References 12 publications

Mechanical Properties of Monolayer MoS2 with Randomly Distributed Defects

Mechanical Properties of Monolayer MoS2 with Randomly Distributed Defects

Nickel coated carbon nanotubes in aluminum matrix composites: a multiscale simulation study

Atomistic aspects of load transfer and fracture in CNT-reinforced aluminium

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