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Grand Canonical Monte Carlo is an important method for performing molecular-level simulations and assisting the study and development of nanoporous materials for gas capture application. These simulations are based on the use of force…

We have studied molecular hydrogen in a pure 1D geometry and inside a narrow carbon nanotube by means of the diffusion Monte Carlo method. The one-dimensionality of H2 in the nanotube is well maintained in a large density range, this system…

Computer simulations of liquid phases require an initial configuration from which to begin. The preparation of such an initial configuration or `snapshot' often involves the melting of a solid phase. This melting is usually undertaken by…

This work represents the first electro-thermal study of metallic single-wall carbon nanotubes (SWNTs) for interconnect applications. Experimental data and careful modeling reveal that self-heating is of significance in short (1 < L < 10 um)…

We review quantum Monte Carlo results on energetic and structure properties of quantum fluids adsorbed in a bundle of carbon nanotubes. Using realistic interatomic interactions the different adsorption sites that a bundle offer are…

The superior electronic, optical and magnetic properties of carbyne have been called for optoelectronic and magnetoelectronic applications. However, manufacturing a monoatomic chain of more than 6000 carbon atoms presents a huge technical…

It is found that the magnetization curves of samples of fragments of cathode carbon deposits with a high content of multiwalled nanotubes exhibit a pronounced irreversible character, attesting to the induction of persistent currents in the…

We show how lattice Quantum Monte Carlo simulations can be used to calculate electronic properties of carbon nanotubes in the presence of strong electron-electron correlations. We employ the path integral formalism and use methods developed…

Single-walled carbon nanotubes (SWNTs) have many interesting properties; they may be metallic or semiconducting depending on their diameter and helicity of the graphene sheet. Hydrostatic or quasi-hydrostatic high pressures can probe many…

Fluids confined within narrow channels exhibit a variety of phases and phase transitions associated with their reduced dimensionality. In this review paper, we illustrate the crossover from quasi-one dimensional to higher effective…

A simple process for chemical vapor deposition of ultra SD single wall carbon nanotubes has been developed. In this process, an iron nitrate nonahydrate solution in isopropyl alcohol with a concentration of 400 ug/mlit was used to catalyze…

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…

A great number of the existing data for electrical transport, the Altshuler Aronov Spivak and Aharonov Bohm effects, as well as the tunneling spectra of individual carbon nanotubes can be well explained by theories of the quantum phase…

We demonstrate wafer-scale integration of single electron memories based on carbon nanotube field effect transistors (cnfets) by a complete self assembly process. First, a dry self assembly based on a Hot Filament assisted Chemical Vapor…

The energy-level structure of a single atom strongly coupled to the mode of a high-finesse optical cavity is investigated. The atom is stored in an intracavity dipole trap and cavity cooling is used to compensate for inevitable heating. Two…

The heat capacity of bundles of closed-cap single-walled carbon nanotubes (SWNT) with one-dimensional chains of nitrogen molecules adsorbed in the grooves has been first experimentally studied at temperatures from 2K to 40K using an…

We report a theoretical analysis of the phonon thermal conductance, \kappa (T), for single wall carbon nanotubes (SWCN). In a range of low temperatues up to 100K, \kappa (T) of perfect SWCN is found to increase with temperature,…

Recently, ultra-small-diameter Single Wall Nano Tubes with diameter of $ \sim 0.4 nm$ have been produced and many unusual properties were observed, such as superconductivity, leading to a transition temperature $T_c\sim 15^oK$, much larger…

We show that separating metallic from semiconducting carbon nanotubes by dielectrophoresis is developing towards a bulk separation method, which allows for the first time to produce thin films of only metallic single-walled carbon nanotubes…

Silicon nanocrystals are produced using a two-stage gold ion implantation technique. First stage implantation using low energy ions leads to the formation of an amorphous Si (a-Si) layer. A subsequent high energy Au irradiation in the…