Unfolding the mechanical properties of buckypaper composites: nano- to macro-scale coupled atomistic-continuum simulations

Abstract

Carbon-based nanostructures are receiving increasing attention over the past two decades due to their unprecedented multi-functional features. However, the macro-scale structural applications of these nanostructures have not yet come to full fruition due to the involvement of complex multi-scale computations and manufacturing. Recently, the research community has started investigating buckypaper, which can be described as a sheet or membrane developed using a network of bundles of single-wall carbon nanotubes, multi-wall carbon nanotubes, or a mixture of both. This article aims to focus on the computational bridging of different length scales involving six levels in the range of nano- to macro-scale behaviour concerning buckypaper composites. The sequential derivatives of carbon at six levels, as analyzed in this paper, involve graphene, CNT, CNT bundle, buckypaper, and buckypaper composite automotive components. Here, we adopt a coupled atomistic-continuum modelling approach for the multi-level simulations. Graphene, CNTs, and CNT bundles are modelled using atomistic simulations, while the buckypaper and its composites are modelled using equivalent beam representations for the bundles and continuum solid representation for resin. At the macro-scale, an industry-relevant multi-material composite automotive component has been investigated, wherein the buckypaper is proposed to be embedded involving sheet moulding compound and carbon prepreg. The current simulations have led to the determination of mechanical properties at each level of the carbon-based materials and their mutual dependence. The numerical results demonstrate that a buckypaper composite can enhance the natural frequency and stiffness up to 25 and 37$$\%$$ % with respect to conventional monolithic metallic designs, while reducing the weight by 57$$\%$$ % . Such outcomes lead to the realization that carbon-based nanostructural derivative in the form of buckypaper can significantly improve the mechanical properties of advanced lightweight structural components as reinforcements for the next generation of aerospace and automotive structures. Graphical abstract

Mechanical Properties of Small Quasi-Square Graphene Nanoflakes

“…There are many studies on the different mechanical properties of both infinite graphene and finite graphene nanostructures [30,[34][35][36][37][38][39][40][41][42][43][44]. Nevertheless, there is a lack of a comprehensive study on the three different deformations a graphene nanoflake can be subjected to-stretching, shear and torsion (especially the last one)-and on the validity of the use of macroscopic formulas for isotropic materials [45,46] for this clearly anisotropic system.…”

On-demand contactless programming of nonlinear elastic moduli in hard magnetic soft beam based broadband active lattice materials

“…Lattice-based materials, being light and able to exhibit high stiffness, are used in several lightweight systems like sandwich structures [24][25][26][27][28][29]. Further, the lattice-type structural configurations are found in plenty across different length scales (including nano and micro) of naturally occurring matters [30][31][32][33][34]. Recent trends in engineered materials try to propose intuitive microstructural configurations in a forward framework, or designs identified through computer simulations such as topology optimization.…”

‘Magic’ of twisted multi-layered graphene and 2D nano-heterostructures

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