Related papers: Quantum Fluids in Nanotubes: a Quantum Monte Carlo…
We develop a new numerical scheme which allows precise solution of coherent tunneling problems, i.e., problems with exponentially small transition amplitudes between quasidegenerate states. We explain how this method works for the…
We propose an experimentally viable setup for the realization of one-dimensional ultracold atom gases in a nanoscale magnetic waveguide formed by single doubly-clamped suspended carbon nanotubes. We show that all common decoherence and atom…
The effect of surface roughness on the structure of liquid crystalline fluids near solid substrates is studied by Monte Carlo simulations. The liquid crystal is modelled as a fluid of soft ellipsoidal molecules and the substrate is modelled…
When water is confined to nanocavities, its quantum-mechanical behavior can be revealed by terahertz spectroscopy. We place H2O molecules in the nanopores of a beryl crystal-lattice and observe a rich and highly anisotropic set of…
Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…
We investigate the properties of conduction electrons in single-walled armchair carbon nanotubes in the presence of mutually orthogonal electric and magnetic fields transverse to the tube's axis. We find that the fields give rise to an…
We consider theoretically the possibility of observing unusual quantum fluid behavior in liquid $^{3}$He and solutions of $^{3}$He in $^{4}$He systems confined to nano-channels. In the case of pure ballistic flow at very low temperature…
The physics of adhesion of one-dimensional nano structures such as nanotubes, nano wires, and biopolymers on different material substrates is of great interest for the study of biological adhesion and the development of nano electronics and…
The electronic spectra of carbon nanotubes and other nanoscale systems are quantized because of their small radii. Similar quantization in the phonon spectra has been difficult to observe because of the far smaller energy scale. We probed…
We apply diffusion quantum Monte Carlo (DMC) to a broad set of solids, benchmarking the method by comparing bulk structural properties (equilibrium volume and bulk modulus) to experiment and DFT based theories. The test set includes…
Carbon nanotubes are excellent nano-electromechanical systems, combining high resonance frequency, low mass, and large zero-point motion. At cryogenic temperatures they display high mechanical quality factors. Equally they are outstanding…
Carbon nanotubes are the focus of considerable research efforts due to their fascinating physical properties. They provide an excellent model system for the study of one dimensional materials and molecular electronics. The chirality of…
We explore by molecular dynamic simulations the thermodynamical behavior of an anomalous fluid confined inside rigid and flexible nanopores. The fluid is modeled by a two length scale potential. In the bulk this system exhibits the density…
Using a scattering technique based on a parametrized linear combination of atomic orbitals Hamiltonian, we calculate the ballistic quantum conductance of multi-wall carbon nanotubes. We find that inter-wall interactions not only block some…
Gases adsorbed within bundles of carbon nanotubes (inside of the nanotubes or in the interstitial channels between the tubes) exhibit a variety of phase transitions with the help of interactions between molecules in neighboring channels or…
Using a path-integral Monte Carlo method for simulating superfluid quantum films, we investigate helium layers adsorbed on a substrate consisting of graphite plus two solid helium layers. Our results for the promotion densities and the…
We study the binding energy, intertube distance and electronic structure of bundles consisting of single walled carbon nanotubes of the same chirality. We model various nanotube structures (chiralities) and orientations with van der Waals…
We study the effect of confinement in the dynamical behavior of a core-softened fluid. The fluid is modeled as a two length scales potential. This potential in the bulk reproduces the anomalous behavior observed in the density and in the…
Suspended single-walled carbon nanotube devices comprised of high quality electrical contacts and two electrostatic gates per device are obtained. Compared to nanotubes pinned on substrates, the suspended devices exhibit little hysteresis…
Employing a classical density-functional description of liquid environments, we introduce a rigorous method for the diffusion quantum Monte Carlo calculation of free energies and thermodynamic averages of solvated systems that requires…