Related papers: Spontaneous twisting and shrinking of carbon nanot…
We study the collapsing and subsequent spontaneous twisting of a carbon nanotube by in-situ transmission electron microscopy. A custom-sized nanotube is first created in the microscope by selectively extracting shells from a parent…
The high aspect ratio of carbon nanotubes makes them prone to bending. To know how bending affects the tubes is therefore crucial for tube identification and for electrical component design. Very few studies, however, have investigated…
Single walled carbon nanotube's cross section can be flattened under hydrostatic pressure. One example is the cross section of a single walled carbon nanotube successively deforms from the original round shape to oval shape, then to…
We investigate the thermal conductivity of four types of deformed carbon nanotubes by using the nonequilibrium molecular dynamics method. It is reported that various deformations have different influence on the thermal properties of carbon…
We simulate the twist of carbon nanotubes using atomic molecular dynamic simulations. The ultimate twist angle per unit length and the deformation energy are calculated for nanotubes of different geometries. It is found that the big tube is…
Nonchiral single wall carbon nanotubes with an "armchair" wrapping are theoretically predicted to be conducting, and high purity samples consisting predominantly of these tubes exhibit metallic behavior with an intrinsic resistivity which…
The temperature-dependent transverse mechanical properties of single-walled nanotubes are studied using a molecular mechanics approach. The stretching and bond angle force constants describing the mechanical behaviour of the sp^{2} bonds…
We investigated the adsorption of a single atom, hydrogen and aluminum, on single wall carbon nanotubes from first-principles. The adsorption is exothermic, and the associated binding energy varies inversely as the radius of the zigzag…
We report the results of a model calculation for studying the effects of hydrostatic pressure on a bunch of carbon nanotubes. At pressures that we work with, the deformation in axial direction comes out to be negligibly small. We find that…
The temperature dependence of the band gap of semiconducting single-wall carbon nanotubes (SWNTs) is calculated by direct evaluation of electron-phonon couplings within a ``frozen-phonon'' scheme. An interesting diameter and chirality…
We consider radially twisted nanotubes in the low-energy approximation where the dynamics is governed by a one-dimensional Dirac equation. The mechanical deformation of the nanotubes is reflected by the presence of an effective vector…
We investigate curvature effects on geometric parameters, energetics and electronic structure of zigzag nanotubes with fully optimized geometries from first-principle calculations. The calculated curvature energies, which are inversely…
In this letter, we demonstrate a strong dependence of the electrostatic deformation of doubly-clamped single-walled carbon nanotubes on both the field strength and the tube length, using molecular simulations. Metallic nanotubes are found…
The bending of a carbon nanotube is studied by considering the structural evolution of a carbon nanotorus from elastic deformation to the onset of the kinks and eventually to the collapse of the walls of the nanotorus. The changes in the…
Using Monte Carlo simulations, we investigate the possibility of an orientational melting transition within a "rope" of (10,10) carbon nanotubes. When twisting nanotubes bundle up during the synthesis, orientational dislocations or twistons…
We calculate analytically the phase diagram of a two-dimensional square crystal and its wrapped version with defects under external homogeneous stress as a function of temperature using a simple elastic lattice model that allows for defect…
Elastic properties of carbon nanotubes and nanoropes are investigated using an empirical force-constant model. For single and multi-wall nanotubes the elastic moduli are shown to be insensitive to details of the structure such as the…
Spontaneous decay process of an excited atom placed inside or outside (near the surface) a carbon nanotube is analyzed. Calculations have been performed for various achiral nanotubes. The effect of the nanotube surface has been demonstrated…
Strain rate and temperature dependence of the tensile strength of single-walled carbon nanotubes has been investigated with molecular dynamics simulations. The tensile failure or yield strain is found to be strongly dependent on the…
The curvature effects in carbon nanotubes are studied analytically as a function of chirality. The pi-orbitals are found to be significantly rehybridized in all tubes, so that they are never normal to the tubes' surface. This results in a…