Related papers: Modeling Composites of Multi-Walled Carbon Nanotub…
Interface widely exists in carbon nanotube (CNT) assembly materials, taking place at different length scales. It determines severely the mechanical properties of these assembly materials. Here I assess the mechanical properties of…
The impact of nanoparticles (NPs) comprised of atoms with covalent bonding is investigated numerically and theoretically. We use recent models of covalent bonding of carbon atoms and elaborate a numerical model of amorphous carbon (a-C)…
Recently experiments showed that nodal structural defects are readily formed in the synthesis of single-walled carbon nanotubes (SWNTs) and consequently, SWNTs are likely to deviate from well-defined seamless tubular structures. Here, using…
Double-walled carbon nanotubes (DWCNTs) with high graphitization have been synthesized by hydrogen arc discharge. The obtained DWCNTs have a narrow distribution of diameters of both the inner and outer tubes, and more than half of the…
Recent advances in the four-dimensional ultrafast transmission electron microscope (4D-UTEM) with combined spatial and temporal resolutions have made it possible to directly visualize structural dynamics of materials at the atomic level.…
The nonocomposites on the base of long (5-10 $\mu$m, ${o}$-MWCNTs) and short (2 $\mu$m, ${m}$-MWCNTs) multi-walled carbon nanotubes (MWCNTs) hosted by nematic 5CB were investigated in details by means of polarizing microscopy, studies of…
This paper describes atomistic simulations of deformation and fracture of Al reinforced with carbon nanotubes (CNTs). We use density functional theory (DFT) to understand the energetics of Al-graphene interfaces and gain reference data for…
A simple macroscopic continuum elasticity theory (CET) is used to calculate the structure relaxation of single-wall carbon nanotube (SWNT), an analytic formula is obtained. We also expand an atomic scale three-parameter empirical model [ T.…
Combining a classical force field, a tight-binding model, and first-principles calculations, we have studied structural, electronic, and optical properties of double-walled carbon nanotube (DWNT) bundles under hydrostatic pressure. We find…
For terahertz (THz) wave applications, tunable and rapid modulation is highly required. When studied by means of optical pump-terahertz probe spectroscopy, single-walled carbon nanotubes (SWCNTs) thin films demonstrated ultrafast carrier…
Polymer nanoparticle composites (PNC) with ultra high loading of nanoparticles (> 50%) have been shown to exhibit markedly improved strength, stiffness, and toughness simultaneously compared to the neat systems of their components. Recent…
In this work we use density functional theory (DFT) calculations to benchmark empirical potentials for the interaction between nickel and sp$^2$ bonded carbon nanoparticles. These potentials are then used in order to investigate how Ni…
We report strategies of achieving both high assembly yield of carbon nanotubes at selected position of the circuit via dielectrophoresis (DEP) and field effect transistor (FET) yield using semiconducting enriched single walled carbon…
This paper the utilizes atomistic-continuum mechanics (ACM) to investigate the mechanical properties of single-walled carbon nanotubes (SWCNTs). By establishing a linkage between structural mechanics and molecular mechanics, not only the…
In this article, we report the results of relatively facile fabrication of carbon nanodots from single-walled and multi-walled carbon nanotubes (SWCNT and MWCNT). The results of X-ray photoelectron spectroscopy (XPS) and Raman measurements…
Various unique physical, chemical, mechanical and electronic properties of carbon nanotube (CNT) make it very useful materials for diverse potential application in many fields. Experimentally synthesized CNTs are generally found in bundle…
We present a general approach to the computational design of nanostructured chemical sensors. The scheme is based on identification and calculation of microscopic descriptors (design parameters) which are used as input to a thermodynamic…
We perform systematic numerical simulations for carbon nanotube (CNT) film microstrip antennas to fabricate flexible and durable applications in terms of various device design parameters. The selection of appropriate materials for…
In this work we present an ab-initio study of electronic properties of 1 dimensional (1D) core-shell nanostructures made of MS2 (MoS2, WS2) or BN armchair nanotube encapsulated carbon nanotubes (CNT). With local density approximation (LDA)…
High-density carbon nanotube networks (CNNs) continue to attract interest as active elements in nanoelectronic devices, nanoelectromechanical systems (NEMS) and multifunctional nanocomposites. The interplay between the network nanostructure…