A single degree of freedom ‘lollipop’ model for carbon nanotube bundle formation

Cranford, Steven W.; Yao, Haimin; Ortiz, Christine; Buehler, Markus J.

doi:10.1016/j.jmps.2009.11.002

Cited by 72 publications

(53 citation statements)

References 50 publications

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“…For the carbon nanotubes, a "fine-trains-coarse" multi-scale approach is implemented to produce mesoscale model derived solely from atomistic calculations [14][15][16]. A series of full atomistic calculations of mechanical test cases (test suite) is implemented via classical molecular dynamics (MD) to derive a simplified set of parameters to describe the nanotube behavior.…”

Section: Carbon Nanotube Coarse-grain Representationmentioning

confidence: 99%

“…The test suite consists of the following three loading cases: (i) tensile loading, to determine Young's modulus; (ii) bending to determine the bending stiffness of CNTs; and (iii) an assembly of two CNTs to determine the adhesion energy. For a more detailed description of the atomistic simulations and results, the reader is referred to references [14] and [16]. Here we provide only a brief review of the multi-scale approach.…”

Section: Carbon Nanotube Coarse-grain Representationmentioning

confidence: 99%

“…Furthermore, the particular type of intermolecular interactions between carbon nanotubes (weak dispersive interactions) and the nanoscale dimensions of this material in ranges from a few nanometers to hundreds of nanometers and micrometers require the development of coarse-grain mesoscale models beyond the capacity of traditional continuum and structural mechanics. Mesoscopic 3 "bead-spring" methods have been proven a viable approach to simulate arrays of CNTs [14][15][16] as well as graphene assemblies [17]. The intent of the model developed and applied here is to extend the timeand length-scales accessible to atomistic simulations to enable the simulation of large-scale multinanotube structures.…”

Section: Introductionmentioning

confidence: 99%

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In silicoassembly and nanomechanical characterization of carbon nanotube buckypaper

Cranford

Buehler²

2010

Nanotechnology

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Carbon nanotube sheets or films, also known as "buckypaper", have been proposed for use in actuating, structural and filtration systems, based in part on their unique and robust mechanical properties. Computational modelling of such a fibrous nanostructure is hindered by both the random arrangement of the constituent elements, as well as the time and length scales accessible to atomisticlevel molecular dynamics modelling. Here we present a novel in silico assembly procedure based on a coarse-grain model of carbon nanotubes, used here to attain a representative mesoscopic buckypaper model that circumvents a need for probabilistic approaches. By variation in assembly parameters, including the initial nanotube density and ratio of nanotube type (single-and double-walled), the porosity of the resulting buckypaper can be varied threefold, from approximately 0.3 to 0.9. Further, through simulation of nanoindentation, the Young's modulus is shown to be tunable through manipulation of nanotube type and density over a range of approximately 0.2 to 3.1 GPa, in good agreement with experimental findings of the modulus of assembled carbon nanotube films. In addition to carbon nanotubes, the coarse-grain model and assembly process can be adapted for other fibrous nanostructures such as electrospun polymeric composites, high performance nonwoven ballistic materials, or fibrous protein aggregates, facilitating the development and characterization of novel nanomaterials and composites as well as the analysis of biological materials such as protein fiber films and bulk structures.

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Section: Carbon Nanotube Coarse-grain Representationmentioning

confidence: 99%

Section: Carbon Nanotube Coarse-grain Representationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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In silicoassembly and nanomechanical characterization of carbon nanotube buckypaper

Cranford

Buehler²

2010

Nanotechnology

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“…In the synthesis of CNT bundles and networks, their formation is a challenge for understanding how to measure and predict the properties of such large systems [4,11]. At the nanoscale, the weak van der Waals (vdW) interactions govern the structural organization and the mechanical properties of CNT bundles and networks [12][13][14][15]. Therefore, a clear understanding of the vdW interactions in these systems is crucial for their potential applications in nanoelectromechanical systems and electronic devices.…”

Section: Introductionmentioning

confidence: 99%

Binding energy and mechanical stability of two parallel and crossing carbon nanotubes

et al. 2015

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The binding energy between two parallel (and two crossing) single-walled (and multi-walled) carbon nanotubes (CNTs) is obtained by continuum modelling of the van der Waals interaction between them. The dependence of the binding energy on their diameters, number of walls and crossing angles is systematically analysed. The critical length for the mechanical stability and adhesion of the CNTs is determined by the function of E i I i , h and γ , where E i I i , h and γ are the CNTs bending stiffness, distance and binding energy between them, respectively. Checking against full atom molecular dynamics calculations show that the continuum solution has high accuracy. The established analytical solutions should be of great help for designing nanoelectromechanical devices.

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“…Concomitant research on the mechanical properties of a single CNT include a range of modeling and simulation works ranging from atomic [7,8], to continuum [9,10] and multi-scale [11]. One of the challenges in modeling CNTs is to incorporate the effects of van der Waals interactions between the CNTs.…”

Section: Introductionmentioning

confidence: 99%

On Adhesive and Buckling Instabilities in the Mechanics of Carbon Nanotubes Bundles

Zhou

O’Reilly

2015

Journal of Applied Mechanics

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Many recently synthesized materials feature aligned arrays or bundles of carbon nanotubes (CNTs) whose mechanical properties are partially determined by the van der Waals interactions between adjacent tubes. Of particular interest in this paper are instances where the resulting interaction between a pair of CNTs often produces a fork-like structure. The mechanical properties of this structure are noticeably different from those for isolated individual CNTs. In particular, while one anticipates buckling phenomena in the forked structure, an adhesion instability may also be present. New criteria for buckling and adhesion instabilities in fork-like structures are presented in this paper. The criteria are illuminated with a bifurcation analyses of the response of the fork-like structure to applied compressive and shear loadings.

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A single degree of freedom ‘lollipop’ model for carbon nanotube bundle formation

Abstract: single degree of freedom 'Lollipop' model for carbon nanotube bundle formation,

Cited by 72 publications

References 50 publications

In silicoassembly and nanomechanical characterization of carbon nanotube buckypaper

In silicoassembly and nanomechanical characterization of carbon nanotube buckypaper

Binding energy and mechanical stability of two parallel and crossing carbon nanotubes

On Adhesive and Buckling Instabilities in the Mechanics of Carbon Nanotubes Bundles

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