Abstract
In the present work, we performed nanoindentation tests using molecular dynamics (MD) simulations on graphene, native silica aerogels, and single- and multi-layered graphene-reinforced silica aerogel nanocomposites. This work mainly focused on the two aspects of nanoindentation simulations: first, the resultant indentation force–depth curves, and second, the associated mechanical deformation behavior. We found that in the single-layer graphene-reinforced silica aerogel nanocomposite, the indentation resistance was four-fold that of native silica aerogels. Moreover, the combined system proved to be higher in stiffness compared to the individual material. Furthermore, the indentation resistance was increased significantly as we proceeded from single- to two-layered graphene-reinforced silica aerogel nanocomposites. The results of the study provide a detailed understanding of the mechanical behavior during the indentation tests of nanocomposites, which helps to design advanced nanoscale multi-layered materials.
Highlights
The structure of silica aerogel is a three-dimensional open-cell nanoporous network whose skeleton is composed of interconnected silica nanoparticles [1]
The primary goal of this study is to investigate the influence of graphene reinforcement on the mechanical properties of silica aerogel using nanoindentation
The different thicknesses of silica aerogel slabs had no significant influence on the maximum indentation force
Summary
The structure of silica aerogel is a three-dimensional open-cell nanoporous network whose skeleton is composed of interconnected silica nanoparticles [1]. Several approaches have been proposed in the literature to improve the mechanical properties of silica aerogel, e.g., chemically modifying the aerogels via integration of organic coatings, organic crosslinking of the backbone or using organically-modified silica precursors [6,7]. This approach compromises some of the advantages of the inorganic aerogels, such as their zero volatile organic compound release and zero flammability, or the required aerogel densities are quite higher for certain applications. Many researchers have focused on silica aerogel composites by the addition of particles, polymers, or fibers. To the best of our knowledge, surprisingly, these composite materials have never been investigated before using molecular dynamics (MD) simulations
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