Related papers: Thermal conduction of carbon nanotubes using molec…
Modelling heat transfer of carbon nanotubes is important for the thermal management of nanotube-based composites and nanoelectronic device. By using a finite element method for three-dimensional anisotropic heat transfer, we have simulated…
Based on Zhang and Li's molecular dynamics calculations, the heat conductivity ($\kappa$) of metallic single-wall Carbon nanotubes (SNTs) was incorrectly concluded as mainly influenced by the radius. Apart from that, their isotope effect…
Biphenylene nanotubes (BPNNTs) represent a novel class of carbon-based nanomaterials, constructed by rolling a biphenylene network (BPN) monolayer into a one-dimensional tubular structure. In this study, the thermal transport properties of…
In a theoretical study of gas adsorption on carbon nanotubes (CNT) nonequilibrium processes of ionization, polarization, surface diffusion and desorption of atoms are considered self-consistently. The approach is based on Zubarev's method…
Molecular dynamics simulations and nonequilibrium importance sampling are used to study the heat transport of low dimensional carbon lattices. For both carbon nanotubes and graphene sheets heat transport is found to be anomalous, violating…
Fullerence encapsulation has been proven to be a powerful approach to enhance mechanical and electronic properties of the single-walled carbon nanotubes (SWCNTs). However, some discrepancies emerge in recent studies of the fullerence…
We present the results of analytical study and Molecular Dynamics simulation of low energy nonlinear non-stationary dynamics of single-walled carbon nanotubes (CNTs). New phenomena of intensive energy exchange between different parts of CNT…
We have investigated the thermal rectification phenomenon in a single-wall mass graded carbon nanotube by molecular dynamics simulation. Second generation Brenner potential has been used to model the inter atomic carbon interaction. Fixed…
We study high-field electrical breakdown and heat dissipation from carbon nanotube (CNT) devices on SiO2 substrates. The thermal "footprint" of a CNT caused by van der Waals interactions with the substrate is revealed through molecular…
We study thermal rectification in single-walled carbon nanohorns (SWNHs) by using non-equilibrium molecular dynamics (MD) method. It is found that the horns with the bigger top angles show larger asymmetric heat transport due to the larger…
We introduce a model whose thermal conductivity diverges in dimension 1 and 2, while it remains finite in dimension 3. We consider a system of oscillators perturbed by a stochastic dynamics conserving momentum and energy. We compute thermal…
Using molecular dynamics simulations, we predict an effect of chirality on the conduction of benzene molecules along the surface of carbon nanotubes (CNTs) subjected to a thermal gradient. The group drift velocity of the molecules is found…
We investigate the time-dependent electronic transport in single-walled carbon nanotubes (SWCNTs) functionalized with Au clusters on CO gas exposure. Using a tight-binding Hamiltonian and the nonequilibrium Green's function (NEGF) formalism…
The temperature distributions in current-carrying carbon nanotubes have been measured with a scanning thermal microscope. The obtained temperature profiles reveal diffusive and dissipative electron transport in multi-walled nanotubes and in…
Geopolymer has been considered as a green and low-carbon material with great potential application due to its simple synthesis process, environmental protection, excellent mechanical properties, good chemical resistance and durability. In…
We study the transport properties of defective single-walled armchair carbon nanotubes (CNTs) on a mesoscopic length scale. Monovacancies and divancancies are positioned randomly along the CNT. The calculations are based on a fast, linearly…
We present quantum simulations of carbon nanotube field-effect transistors (CNT-FETs) based on top-gated architectures and compare to electrical characterization on devices with 15 nm channel lengths. A non-equilibrium Green's function…
By developing a two-dimensional (2D) full quantum simulation, the attributes of carbon nanotube field-effect transistors (CNTFETs) in different temperatures have been comprehensively investigated. Simulations have been performed by…
A theoretical analysis of the superconductivity observed recently in Carbon nanotubes is proposed. We argue that ultra-small (diameter $ \sim 0.4 nm$) single wall carbon nanotubes (with transition temperature $T_c\sim 15 ^{o}K$) and…
The features of the $IV$ characteristics of metallic carbon nanotubes (m-NTs) in different experimental setups are studied using semi-classical Boltzmann transport equation together with the heat dissipation equation to account for…