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Due to their chiral structure, carbon nanosprings possess unique properties that are promising for nanotechnology applications. The structural transformations of carbon nanosprings in the form of spiral macromolecules derived from planar…
We present a detailed study of the static enhancement effects of electric charges in micron-length single-walled carbon nanotubes, using theoretically an atomic charge-dipole model and experimentally electrostatic force microscopy. We…
Interwall interaction energies of double-walled nanotubes (DWNTs) with long inner and short outer walls are calculated as functions of coordinates describing relative rotation and displacement of the walls using van der Waals corrected…
Carbon nanotubes are the focus of considerable research efforts due to their fascinating physical properties. They provide an excellent model system for the study of one dimensional materials and molecular electronics. The chirality of…
Order(N) Tight-Binding Molecular Dynamics (TBMD) simulations are performed to investigate the thermal stability of (10,10) metallic Single-Walled Carbon Nanotubes (SWCNT). Periodic boundary conditions (PBC) are applied in axial direction.…
We report a method for probing electromechanical properties of multiwalled carbon nanotubes(CNTs). This method is based on AFM measurements on a doubly clamped suspended CNT electrostatically deflected by a gate electrode. We measure the…
We compute electrostatic fields induced deformations of cantilevered finite-length metallic carbon nanotubes, using an energy minimization method based on a charge-dipole moment interaction potential combined with an empirical many-body…
The propagation of transverse impact energy in a multilayer packing (in an array) of parallel single-walled carbon nanotubes has been simulated. It has been shown that such nanotube arrays are effective shock absorbers. The depreciation…
We investigate the mechanical and adsorption properties of single-walled carbon nanotubes (SWCNTs) filled with greenhouse gases through Grand Canonical Monte Carlo (GCMC) and Molecular Dynamics (MD) simulations using a recently developed…
We present a comparative study of the energetic, structural and elastic properties of carbon and composite single-wall nanotubes, including BN, BC3 and BC2N nanotubes, using a non-orthogonal tight-binding formalism. Our calculations predict…
Carbon-based tubular materials have sparked a great interest for future electronics and optoelectronics device applications. In this work, we computationally studied the mechanical properties of nanotubes generated from popgraphene…
Using a continuum model, expressions for the elastic energy, defect energy, structure entropy, and mixing entropy of carbon nanocones are proposed analytically. The optimal conformation of carbon nanocones is studied by imposing…
We report a combined electronic transport and structural characterization study of small carbon nanotube bundles in field-effect transistors (FET). The atomic structures of the bundles are determined by electron diffraction using an…
The behavior of a nanodevice based upon double-walled carbon nanotube oscillators driven by periodically applied thermal gradients (7 and 17 K/nm) is investigated by numerical calculations and classical molecular dynamics simulations. Our…
We theoretically investigate the electro-mechanics of a Suspended Carbon Nanotube with a Deflection Sensitive Resistance subjected to a homogeneous Magnetic Field and a constant Voltage Bias. We show that, (with the exception of a singular…
Single wall carbon nanotubes cooled to cryogenic temperatures are outstanding electronic as well as nano-electromechanical model systems. To probe a largely unperturbed system, we measure a suspended carbon-nanotube device where the…
We study, theoretically, the ground state spin of a carbon nanotube in the presence of an external potential. We find that when the external potential is applied to a part of the nanotube, its variation changes the single electron spectrum…
The goal of this PhD thesis was to characterize the properties of friction in nanotubes and from a more general point of view the understanding of the microscopic origin of friction. Indeed, the relative simplicity of the system allows us…
In order to understand properties of ultrathin copper nanowires, we have simulated several copper nanowires using classical molecular dynamic simulations. As the temperature increases, copper nanowires were transformed into structures of…
Thermally driven nanotube nanomotors provide linear mass transportation controlled by a temperature gradient. However, the underlying mechanism is still unclear where the mass transportation velocity in experiment is much lower than that…