Abstract
Commonly isolated carbon nanotubes in suspension have been modelled as a perfectly straight structure. Nevertheless, single-wall carbon nanotubes (SWNTs) contain naturally side-wall defects and, in consequence, natural bent configurations. Hence, a semi-flexile filament model with a natural bent configuration was proposed to represent physically the SWNT structure. This continuous model was discretized as a non-freely jointed multi-bead–rod system with a natural bent configuration. Using a Brownian dynamics algorithm the dynamical mechanical contribution to the linear viscoelastic response of naturally bent SWNTs in dilute suspension was simulated. The dynamics of such system shows the apparition of new relaxation processes at intermediate frequencies characterized mainly by the activation of a mild elasticity. Storage modulus evolution at those intermediate frequencies strongly depends on the flexibility of the system, given by the rigidity constant of the bending potential and the number of constitutive rods.
Highlights
Today, without any doubt nanotechnology is a hot topic
We proposed an equivalent mechanical model that represents an individual single-wall carbon nanotubes (SWNTs) as a semi-flexible filament with a natural bent configuration and we evaluated by Brownian dynamics the linear viscoelastic response of this physical model into a diluted suspension
In order to contribute elucidating the physical phenomena behind the mild elasticity exhibited by the dynamics of individual SWNTs this paper investigates the influence of the naturally bent SWNT structure
Summary
Without any doubt nanotechnology is a hot topic. Belonging to this nano-world, carbon nanotubes are being intensively studied because their potential applications are extremely varied and the expected properties really impressive. If we are considering the action of an external flow field and the natural existence of a bent structure in SWNTs due to the presence of side-wall defects, the persistent length concept requires a more precise definition In any case, those new considerations can only reduce the length scale of observable bending relative to the thermal classical persistent length and, in this paper a semi-flexible filament is supposed to be a good equivalent micromechanical model describing the dynamics of an individual SWNT submitted to a homogeneous flow field. Those new considerations can only reduce the length scale of observable bending relative to the thermal classical persistent length and, in this paper a semi-flexible filament is supposed to be a good equivalent micromechanical model describing the dynamics of an individual SWNT submitted to a homogeneous flow field In this context, we insist on considering that a SWNT contains naturally side-wall defects producing a deviation from the perfectly straight structure; i.e. the pristine SWNT has a slightly curved structure. Using the same geometrically projected Brownian forces obtained at time t, recalculation of the system velocity and hydrodynamic drag forces Fid,+ t at the updated configuration t + t
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