Related papers: Twisting Carbon Nanotubes: A Molecular Dynamics St…
Carbon nanotubes can serve as one-dimensional nanoreactors for the in-tube synthesis of various nanostructures. Experimental observations have shown that chains, inner tubes, or nanoribbons can grow by the thermal decomposition of…
In this study, using non-equilibrium molecular dynamics simulation, the flow of water in deformed carbon nanotubes is studied for two water models TIP4P/2005 and SPC/FH. The results demonstrated a non-uniform dependence of the flow on the…
We have calculated the effects of structural distortions of armchair carbon nanotubes on their electrical transport properties. We found that the bending of the nanotubes decreases their transmission function in certain energy ranges and…
Radial elastic corrugation of multiwalled carbon nanotubes under hydrostatic pressure is demonstrated by using the continuum elastic theory. Various corrugation patterns are observed under a pressure of several GPa, wherein the stable…
The structure and motion of carbon and h-BN nanotubes (NTs) deposited on graphene is inquired theoretically by simulations based on state-of-the-art interatomic force fields. Results show that any typical cylinder-over-surface approximation…
Nano-diameter tubules made of folded graphitic sheets have drawn the attention of physicists ever since the advent of fullerene research. These are interesting because of their conductivity (depends upon chirality) as well as their…
Interwall interaction energies, as well as barriers to relative sliding of the walls along the nanotube axis, are first calculated for pairs of both armchair or both zigzag adjacent walls of carbon nanotubes with a wide range of radiuses.…
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…
To study the shape formation process of carbon nanotubes, a string equation describing the possible existing shapes of the axis-curve of multishell carbon tubes (MCTs) is obtained in the continuum limit by minimizing the shape energy, that…
The mechanical properties of the so-called `super' carbon nanotubes (STs) are investigated using classical molecular dynamics simulations. The STs are built from single walled carbon nanotubes (SWCNTs) connected by Y-like junctions forming…
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…
Density functional methods have been used to calculate the electronic properties of aligned smalldiameter single-walled carbon nanotubes under hydrostatic pressures. Abrupt pressure induced semiconductor-metal and metal-semiconductor…
We investigate structural parameters, i.e., bond lengths and bond angles of isolated uncapped zigzag single-wall nanotubes in detail. The bond lengths and bond angles are determined for several radii tubes by using a theoretical procedure…
The electronic structure of finite-length armchair carbon nanotubes has been studied using several ab-initio and semi-empirical quantum computational techniques. The additional confinement of the electrons along the tube axis leads to the…
Density functional calculations of hybrids consisting of a single wall carbon nanotube and a graphene nanoribbon have been performed. We consider the dependence of the structural, electronic and magnetic properties of the hybrids on the…
We show that strong Luttinger correlations of the electron liquid in armchair carbon nanotubes lead to a significant enhancement of the onset temperature of the putative twist Peierls instability. The instability results in a spontaneous…
The electrical properties of a carbon nanotube depend strongly on its lattice structure as defined by chiral and translational vectors. A toroidal shape for a nanotube allows various twisted structures to exist along the direction of the…
A first-principles study of the electronic polarization of BN and AlN nanotubes and their graphitic sheets under an external electric field has been performed. We found that the polarization per atom of zigzag nanotubes increases with…
Molecular dynamics simulations of coaxial carbon nanotubes in relative sliding motion reveal a striking enhancement of friction when phonons whose group velocity is close to the sliding velocity of the nanotubes are resonantly excited. The…
Band structure is theoretically studied in partially flattened carbon nanotubes within an effective-mass scheme. Effects of inter-wall interactions are shown to be important in non-chiral nanotubes such as zigzag and armchair and can…