carbon nanotubes – Page 23 – TechConnect Briefs

Adsorption of Gold Atoms on Carbon Nanotubes

da Silva A.J.R., da Silva E.Z., Carrijo Faria J., da Silva A.J.R., da Silva E.Z., Fazzio A., Universidade de Sao Paulo, BR

We study in detail the adsorption of Au on single walled carbon nanotubes (SWCN). All our results are based on ab initio total energy Density Functional Theory calculations using numerical orbitals as basis sets. We [...]

Effects of Stone-Wales Defect on Adsorption & Insertion Capacity of Nanotubes

Zhou L.G., Meng F.Y., Shi S.Q., Hong Kong Polytechnic University, CN

As more experimental results become available and theoretical investigations get deeper, carbon nanotube (CNT) is found to be not as perfect as it seems. Due to this reason, the presence and roles of defects in [...]

Monte Carlo Simulations of Nanotube Suspensions and Composites

Foygel M., Morris R.D., Anez D., French S., Sobolev V., South Dakota School of Mines and Technology, US

A Monte Carlo simulation code has been developed aimed at finding a critical fractional volume of the nanotubes suspended in a low thermo-or electro-conductive medium. Over more than two orders of magnitude, the critical fractional [...]

Effects of Electric Field on the Growth of One-dimensional Carbon Materials in the Chemical Vapor Deposition Process

Tai N-H, Lee C.-Y., Chiu I-C, Lin I-N, National Tsing Hua University, TW

Effects of Electric Field on the Growth of One-dimensional Carbon Materials in the Chemical Vapor Deposition Process (PCVD) Nyan-Hwa Tai* a), Chi-Young Lee b), I-Chang Chiu a), and I-Nan Lin b) a)Department of Materials Science [...]

Alignment Characteristic and Mechanism of Carbon Nanotubes Synthesized by Hot Filament Chemical Vapor Deposition in a CH4/H2 Plasma

Yang Q., Chen W., Singh A., Xiao C., Hirose A., University of Saskatchewan, CA

Controlling of the alignment of carbon nanotubes (CNTs) is very important for applications such as scanning probes, sensors, field emitters and nanoelectronics. Controlled growth of CNTs aligned at different angles to the substrate has been [...]

A Multiscale Meshfree Method for the Mechanical Analysis of Low Dimensional Nanostructures

Qian D., Liu W.K., University of Cincinnati, US

A new multiscale meshfree approach for the mechanical analysis of low dimensional nanostructures is proposed, with the objective that both computational efficiency and accuracy can be achieved for systems involving large number of atoms or [...]

Hydrodynamics of Carbon Nanotubes Contact Angle and Hydrophobic Hydration

Werder T., Walther J.H., Koumoutsakos P., Inst. of Computational Sciences, ETH, CH

Molecular dynamics simulations are used to study the hydrophobic-hydrophilic behavior of carbon nanotubes in water. We report contact angles for tube diameters ranging from 25 to 75 and for droplets containing up to 4632 water [...]

Nanomanipulation and Characterization of Individual Carbon Nanotubes

Ruoff R., Northwestern University, US

A new tool that operates in a scanning electron microscope for measuring the mechanics of nanostructures is briefly presented, and its use to measure the response to tensile loading of carbon nanotubes is outlined.

Accelerated Dynamics Simulations of Nanotubes

Uberuaga B., Stuart S.J., Voter A.F., Los Alamos National Laboratory, US

We report on the application of accelerated dynamics techniques to the study of carbon nanotubes. We have used the parallel replica method and temperature accelerated dynamics simulations are currently in progress. In the parallel replica [...]

Water Conduction Through Carbon Nanotubes

Hummer G., Rassaiah J.C., Noworyta J.P., National Institutes of Health, US

In molecular dynamics simulations we found that water can form hydrogen-bonded water chains in the interior of carbon nanotubes. Water penetration is sensitive to details of thermodynamic conditions and interaction potentials, resulting in sharp, first-order [...]