Related papers: Thermal conduction of carbon nanotubes using molec…
The thermal transport properties of single-wall carbon nanotubes (SWCNTs) are re-investigated using the iterative solution of the Boltzmann transport equation by including four-phonon scattering. Using only three-phonon scattering, the…
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…
Linear transport through a single-walled carbon nanotube ring (CNR), pierced by a magnetic field and capacitively coupled to a gate voltage source, is investigated starting from a model of interacting $p_z$-electrons. The dc-conductance,…
Carbon nanotubes (CNT) have a very large application potential in the rapid developing field of molecular electronics. Infinite single-wall metallic CNTs have theoretically a conductance of 4e2/h because of the two electronic bands crossing…
We report electrical transport experiments using the phenomenon of electrical breakdown to perform thermometry that probe the thermal properties of individual multi-walled nanotubes. Our results show that nanotubes can readily conduct heat…
Carbon nanotubes (CNT) hold enormous technological promise. It can only be harnessed if one controls in a practical way the CNT chirality, the feature of the tubular carbon topology that governs all the CNT properties---electronic, optical,…
I demonstrate a directional motion-transmission behavior of aligned carbon nanotubes (CNTs) using atomistic simulations. The network of overlapping $\pi$ orbitals at the interface act as gear teeth to translate the sliding motion of a CNT…
Molecular dynamics simulations play an important role in studying heat transport in complex materials. The lattice thermal conductivity can be computed either using the Green-Kubo formula in equilibrium MD (EMD) simulations or using…
Freely suspended metallic single-wall carbon nanotubes (SWNTs) exhibit reduced current carrying ability compared to those lying on substrates, and striking negative differential conductance (NDC) at low electric fields. Theoretical analysis…
The strain energies in straight and bent single-walled carbon nanotubes (SWNTs) are calculated by taking account of the total energy of all the occupied band electrons. The obtained results are in good agreement with previous theoretical…
We present a formulation of a nonequilibrium Green's function method for thermal current in nanojunction atomic systems with nonlinear interactions. This first-principle approach is applied to the calculation of the thermal conductance in…
We have determined the thermal conductance of a system consisting of a two-level atom coupled to two quantum harmonic oscillators in contact with heat reservoirs at distinct temperatures. The calculation of the heat flux as well as the…
We report the calculation of paraconductivity in carbon nanotubes above the superconducting transition temperature. The complex behavior of paraconductivity depending upon the tube radius, temperature and magnetic field strength is…
The thermal conductivity and thermoelectric power of a single carbon nanotube were measured using a microfabricated suspended device. The observed thermal conductivity is more than 3000 W/K m at room temperature, which is two orders of…
Tensile tests at room temperature are performed using molecular dynamics on all configurations of single-walled carbon nanotubes up to 4 nm in diameter. Distributions of the Young's modulus, Poisson's ratio, ultimate tensile strength and…
Graphane and graphene are both two-dimensional materials but of different bonding configurations, which can result in distinct thermal conduction properties. We simulate thermal conduction in graphane nanoribbons (GANRs) using the…
In recent experiments, unprecedentedly large values for the conductivity of electrolytes through carbon nanotubes (CNTs) have been measured, possibly owing to flow slip and a high pore surface charge density whose origin is still unknown.…
The current study presents the natural vibrations of single-walled carbon nanotubes (SWCNTs) using the nonlocal theory of elasticity. The study will help to develop nanodevices. The study focuses on the natural vibrations of curved or…
In equilibrium molecular dynamics, Einstein relation can be used to calculate the thermal conductivity. This method is equivalent to Green-Kubo relation and it does not require a derivation of an analytical form for the heat current.…
Spin-dependent coherent quantum transport through carbon nanotubes (CNT) is studied theoretically within a tight-binding model and the Green's function partitioning technique. End-contacted metal/nanotube/metal systems are modelled and next…