Multiscale simulation approaches are needed in order to address scientific and technological questions in the rapidly developing field of carbon nanotube electronics. In this paper, we describe an effort underway to develop a comprehensive capability for multiscale simulation of carbon nanotube electronics. We focus in this paper on one element of that hierarchy, the simulation of ballistic CNT...

We report a new nonwrapping approach to noncovalent engineering of carbon nanotube surfaces by short, rigid functional conjugated polymers, poly(aryleneethynylene)s. Our technique not only enables the dissolution of various types of carbon nanotubes in organic solvents, which represents the first example of solubilization of carbon nanotubes via pi-stacking without polymer wrapping, but could a...

Suspensions of single-walled, double-walled and multi-walled carbon nanotubes (CNTs) were generated in the same solvent at similar concentrations. Films were fabricated from these suspensions and used in carbon nanotube/silicon heterojunction solar cells and their properties were compared with reference to the number of walls in the nanotube samples. It was found that single-walled nanotubes ge...

Using nonresonant bond-polarization theory, the Raman intensity of a single-wall carbon nanotube is calculated as a function of the polarization of light and the chirality of the carbon nanotube. The force-constant tensor for calculating phonon dispersion relations in the nanotubes is scaled from those for two-dimensional graphite. The calculated Raman spectra do not depend much on the chiralit...

We demonstrate an inflatable nanoballoon actuator based on geometrical transitions between the inflated (cylindrical) and collapsed (flattened) forms of a carbon nanotube. In situ transmission electron microscopy experiments employing a nanoelectromechanical manipulator show that a collapsed carbon nanotube can be reinflated by electrically charging the nanotube, thus realizing an electrostatic...

In this paper, we present the analyses of surface tension of surfactant-stabilized dispersions of carbon nanotubes. This method allows one to study interactions of carbon nanotubes with surfactants at different levels of nanotube loading when optical methods fall short in quantifying the level of nanotube separation. Sodium dodecyl sulfate was used as a stabilizing agent to uniformly disperse s...

in this study, thermal performance of a cylindrical heat pipe is investigated numerically. three different types of water based nanofluids, namely (al2o3+water), (diamond+water) and (multi-wall carbon nano tube (mwcnt) +water) have been used. the influence of using the simple nanofluids and mwcnt nanofluid on the heat pipe characteristics such as liquid velocity, pressure profile, temperature p...

in this research, a novel method to decrease micro-residual stresses of fibrous composites by adding carbon nanotubes (cnts) is proposed in detail. the negative coefficient of thermal expansion and the high young’s modulus of cnts can be utilized to counterbalance the process induced residual stresses in composites. to this end, first, the effects of adding cnts to the matrix of fibrous composi...

We report a new strategy towards the control of carbon nanotube (CNT) structure and continuous fibre formation using a floating catalyst direct spinning CVD process. In the procedures used to date, a sulphur promoter precursor is added to significantly enhance the rate of CNT formation in the floating catalyst synthesis. Within the reaction zone, the rapidly grown nanotubes self-assemble into b...

Molecular dynamics simulations are carried out on the isothermal crystallization process of single polyethylene chains with different chain lengths on the single wall carbon nanotube. This process is summarized as two steps, i.e., adsorption and orientation, and the bond-orientational order parameter is used to show the details of this process. The results show that the attractive van der Waals...