Moiré superlattices form in twisted graphene bilayers due to periodic regions of commensurability, but truncation of the moiré patterns affects the rotational stability of finitesized sheets. Here, we report the stepwise untwisting of nanometer-sized bilayer graphene flakes at elevated temperatures, each step corresponding to a potential energy barrier formed by changes to the commensurability between the moiré superlattice and flake size with twist angle. The number of locally-stable energy states and their barrier energies scale with the flake size, allowing twisted graphene flakes of several tens of nanometers to remain thermally stable even at chemical vapor deposition temperatures.
We investigate the bending rigidity of ultrathin hexagonal boron nitride nanosheet (BNNS) through quantifying its self-folded conformations on flat substrates by using atomic force microscopy and atomistic simulations. The bending stiffness of two to six layers of BNNS is found to follow a power function of its thickness with a power index of ~2.35 and is substantially higher than that of comparable graphene. In contrast, monolayer graphene possesses a higher stiffness than its h-BN counterpart. We attribute the high bending stiffness of multilayer BNNS to its partially ionic B-N bondings and corrugated electronic structures, which result in one order of magnitude stronger interlayer shear interaction in h-BN than in graphene. The higher out-of-plane bending and interlayer shear rigidities suggest that unlike graphene, BNNS is less prone to interlayer delamination-induced structural inhomogeneities (e.g. shearing, rippling and kinks) and thus is suitable as a building block for atomically thin electronics and a reinforcing filler for nanocomposites.
Boron nitride nanotubes (BNNTs) are a unique class of light and strong tubular nanostructure and are highly promising as reinforcing additives in ceramic materials. However, the mechanical strength of BNNT-ceramic interfaces remains largely unexplored. Here we report the first direct measurement of the interfacial strength by pulling out individual BNNTs from silica (silicon dioxide) matrices using in situ electron microscopy techniques. Our nanomechanical measurements show that the average interfacial shear stress reaches about 34.7 MPa, while density functional theory calculations reveal strong bonded interactions between BN and silica lattices with a binding energy of –6.98 eV nm−2. Despite this strong BNNT-silica binding, nanotube pull-out remains the dominant failure mode without noticeable silica matrix residues on the pulled-out tube surface. The fracture toughness of BNNT-silica ceramic matrix nanocomposite is evaluated based on the measured interfacial strength property, and substantial fracture toughness enhancements are demonstrated at small filler concentrations.
Carbon nanotubes (CNTs) are highly promising for strength reinforcement in polymer nanocomposites, but conflicting interfacial properties have been reported by single nanotube pull-out experiments. Here, we report the interfacial load transfer mechanisms during pull-out of CNTs from PMMA matrices, using massively- parallel molecular dynamics simulations. We show that the pull-out forces associated with non-bonded interactions between CNT and PMMA are generally small, and are weakly-dependent on the embedment length of the nanotube. These pull-out forces do not significantly increase with the presence of Stone Wales or vacancy defects along the nanotube. In contrast, low-density distribution of cross-links along the CNT-PMMA interface increases the pull-out forces by an order of magnitude. At each cross-linked site, mechanical unfolding and pull-out of single or pair polymer chain(s) attached to the individual cross-link bonds result in substantial interfacial strengthening and toughening, while contributing to interfacial slip between CNT and PMMA. Our interfacial shear-slip model shows that the interfacial loads are evenly-distributed among the finite number of cross-link bonds at low cross-link densities or for nanotubes with short embedment lengths. At higher cross-link densities or for nanotubes with longer embedment lengths, a no-slip zone now develops where shear-lag effects become important. Implications of these results, in the context of recent nanotube pull-out experiments, are discussed.
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