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We propose a fast method to determine the local curvature in two-dimensional (2D) systems with arbitrary shape. The curvature information, combined with elastic constants obtained for a planar system, provides an accurate estimate of the…
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…
The localization length and density of states of carbon nanotubes are evaluated within the tight-binding approximation. By comparison with the corresponding results for the square lattice tubes, it is found that the hexagonal structure…
Carbon nanotubes are modeled as point particle configurations in the framework of Molecular Mechanics, where interactions are described by means of short range attractive-repulsive potentials. The identification of local energy minimizers…
Energetically the single sheet of graphite (graphene) is more stable than the nanotube. The energy difference between the two systems can be directly related to the strain energy involved in rolling up the graphene sheet to form the…
An ab initio calculations have been carried out for examining the curvature effect of small diameter hexagonal boron nanotubes. The considered conformations of boron nanotubes are namely armchair (3,3), zigzag (5,0) and chiral (4,2), and…
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…
The basic properties of conducting electrons in carbon nanotubes are reviewed from a theoretical perspective, and studies performed on persistent currents in toroidal carbon nanotubes and on the local energy gap in deformed nanotubes are…
Carbon nanotubes are modeled as point configurations and investigated by minimizing configurational energies including two-and three-body interactions. Optimal configurations are identified with local minima and their fine geometry is fully…
We use elastomeric polydimethylsiloxane substrates to strain single-walled carbon nanotubes and modulate their electronic properties, with the aim of developing flexible materials that can sense local strain. We demonstrate micron-scale…
We investigate the bending properties of carbon nanoribbons by combining continuum elasticity theory and tight-binding atomistic simulations. First, we develop a complete analysis of a given bended configuration through continuum mechanics.…
We report on the characterization of torsional oscillators which use multi-walled carbon nanotubes as the spring elements. Through atomic-force-microscope force-distance measurements we are able to apply torsional strains to the nanotubes…
A (10x10) single-walled carbon nanotube consisting of 400 atoms with 20 layers is simulated under tensile loading using our developed O(N) parallel tight-binding molecular-dynamics algorithms. It is observed that the simulated carbon…
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…
We theoretically study the interplay between electrical and mechanical properties of suspended, doubly clamped carbon nanotubes in which charging effects dominate. In this geometry, the capacitance between the nanotube and the gate(s)…
We have applied the quantum Monte Carlo method and tight-binding modelling to calculate the binding energy of biexcitons in semiconductor carbon nanotubes for a wide range of diameters and chiralities. For typical nanotube diameters we find…
The transport properties of a suspended carbon nanotube probed by means of a STM tip are investigated. A microscopic theory of the coupling between electrons and mechanical vibrations is developed. It predicts a position-dependent coupling…
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…
The local variation in inter-atomic distances, or local lattice strain often influences significantly material properties of nanoparticles. Strain measurement with ~1% precision is provided by recent atomic-resolution electron microscopy.…
Metallic cantilever in high vacuum atomic force microscope has been used as anode for field emission experiments from densely packed vertically aligned multi-walled carbon nanotubes. The high spatial resolution provided by the scanning…