Transversely isotropic elastic properties of carbon nanotubes containing vacancy defects using MD

Recycling of polymer composites has been explored in an attempt to reutilize materials. Several efforts have opted to address this subject from many perspectives including mechanical, chemical, and thermal recycling. Others have also delved into the self-healing materials to remedy this dilemma. However, few studies have delved into understanding the role of carbon nanotube (CNT) in self-healing based recycled polymer composites. Therefore, in this study, experimental and simulation tools were utilized to understand the recycling process when CNTs were incorporated within recycled polycaprolactone/epoxy composites. A polynomial regression model, as a facile approach, was established to simulate the process-property relationship, which is essential for the successful implementation of the future of manufacturing. It found that, by adding CNTs, a reduction in the determined degree of crystallization was induced which correlated with the obtained reduction in the modulus and toughness. Strategies for enhancing mechanical properties have been pointed out for future endeavors.

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“…From the five independent elastic moduli (i.e., E 1 , ν 12 , G 12 , K 23 , and G 23 ), the other elastic component is given as 33 :

\begin{matrix} lefttrue \\ E_{2} = \frac{4 G_{23} K_{23}}{K_{23} + ψ G_{23}} \\ ν_{23} = \frac{K_{23} - ψ G_{23}}{K_{23} + ψ G_{23}} \\ ψ = 1 + \frac{4 K_{23} {ν_{21}}^{2}}{E_{1}} \end{matrix}

…”

Section: Resultsmentioning

confidence: 99%

“…where 8 T is the CNT volume fraction; I is the identity tensor; C T is the stiffness tensors of the CNT, which is assumed to be transversely isotropic material, as: From the five independent elastic moduli (i.e., E 1 , ν 12 , G 12 , K 23 , and G 23 ), the other elastic component is given as 33 :…”

Section: Elastic Modulusmentioning

confidence: 99%

Modeling and statistical understanding: The effect of carbon nanotube on mechanical properties of recycled polycaprolactone/epoxy composites

Wang

Akobi

Nikaeen

et al. 2020

J of Applied Polymer Sci

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“…[7][8][9][10] Recently, the discovery of NPRs in metal nanowires and carbon nanotubes has been reported. 11,12 In the study of two dimensional (2D) materials, like the representative graphene, a NPR was discovered in 2D materials with specific engineering, such as introducing vacancy defects, 13 creating periodic pores, 14 cutting into nanoribbons, 15 etc. In addition, an intrinsic in-plane NPR has been found in 2D materials when applying strain along a special direction without any external modification of the structure, shape or composition.…”

Section: Introductionmentioning

confidence: 99%

The consistent behavior of negative Poisson's ratio with interlayer interactions

Wang

Zhang

et al. 2022

Mater. Adv.

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“…[37][38][39] Numerically, Sears and Batra predicted the axial Young's modulus of the single-walled carbon nanotubes (SWCNT), and they also revealed that the axial Young's modulus and the thickness of SWCNT do not depend on chirality. 40 Most recently, Kundalwal and Choyal 41 studied the vacancy defect in CNT and evaluated transversely isotropic elastic properties of the defected CNT through molecular dynamics simulation. They also observed that such vacancies have more influence on in-plane shear moduli but have very little effects on the axial Young's modulus of defective CNT.…”

Section: Introductionmentioning

confidence: 99%

Dynamic modelling and analysis of smart carbon nanotube-based hybrid composite beams: Analytical and finite element study

Gupta

Ray

Patil

et al. 2021

Proceedings of the Institution of Mechanical Engineers, Part L:

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In this work, the carbon nanotube-based hybrid carbon fibre-reinforced composite smart beam constraining the layer of an active constrained layer damping treatment is investigated using an in-house finite element model based on first-order shear deformation theory. The effect of in-plane and transverse-plane actuation of the integrated active constrained layer damping treatment layer on the damping characteristics of the novel smart cantilever hybrid carbon fibre-reinforced composite beam is considered. The parameters affecting the damping characteristics of the hybrid carbon fibre-reinforced composite substrate beam such as the volume fraction of both carbon nanotubes and carbon fibre, and the aspect ratio are also studied. Besides, the micromechanical model based on the mechanics of materials approach is developed to estimate the effective elastic coefficient of novel hybrid carbon fibre-reinforced composite lamina. The effective properties of hybrid carbon fibre-reinforced composite are predicted quantitatively by considering non-bonded interaction formed between carbon nanotubes and the polymer matrix. It is revealed that due to the incorporation of carbon nanotubes into the epoxy matrix, the effective longitudinal, transverse and shear properties of the hybrid carbon fibre-reinforced composite lamina are significantly enhanced. Our outcomes explore that the damping performance of the laminated hybrid carbon fibre-reinforced composite smart beam considering the incorporation of carbon nanotubes shows substantial improvement as compared to the base composite. To bring more clarity, the quantitative relative performance of hybrid carbon fibre-reinforced composite and base composite is presented. Our fundamental analysis sheds the light on the opportunities of developing efficient, high-performance and lightweight carbon nanotubes-based micro-electro-mechanical systems smart structures such as sensors, actuators and distributors.

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Transversely isotropic elastic properties of carbon nanotubes containing vacancy defects using MD

Cited by 65 publications

References 49 publications

Modeling and statistical understanding: The effect of carbon nanotube on mechanical properties of recycled polycaprolactone/epoxy composites

Modeling and statistical understanding: The effect of carbon nanotube on mechanical properties of recycled polycaprolactone/epoxy composites

The consistent behavior of negative Poisson's ratio with interlayer interactions

Dynamic modelling and analysis of smart carbon nanotube-based hybrid composite beams: Analytical and finite element study

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