Related papers: Quantum Films Adsorbed on Graphite: Third and Four…
We use our newly constructed quantum Gibbs ensemble Monte Carlo algorithm to perform computer experiments for the two phase coexistence of a hydrogen-helium mixture. Our results are in quantitative agreement with the experimental results of…
We present an electrochemical route for the integration of graphene with light sensitive copper-based alloys used in optoelectronic applications. Graphene grown using chemical vapor deposition (CVD) transferred to glass is found to be a…
Grand Canonical Monte Carlo (GCMC) simulations are performed to study hydrogen physisorption in different nano carbon porous materials made up of different substructures including carbon nanotubes (CNT), graphene sheets and C60. Hydrogen…
The properties of hot dense helium at megabar pressures were studied with two first-principles computer simulation techniques, path integral Monte Carlo and density functional molecular dynamics. The simulations predicted that the…
We report our results on the adsorption of noble gases such as argon, krypton and xenon on a graphene sheet, using Grand Canonical Monte Carlo (GCMC) simulations. We calculated the two-dimensional gas-liquid critical temperature for each…
We study the adsorption of a fluid in the grand canonical ensemble occurring at a planar heterogeneous wall which is decorated with a chemical stripe of width $L$. We suppose that the material of the stripe strongly preferentially adsorbs…
The use of a novel three-dimensional graphene structure allows circumventing the limitations of the two-dimensional nature of graphene and its application in hydrogen absorption. Here we investigate hydrogen-bonding on monolayer graphene…
Electrons in image-potential states on the surface of bulk helium represent a unique model system of a two-dimensional electron gas. Here, we investigate their properties in the extreme case of reduced film thickness: a monolayer of helium…
We study the quantum Hall effect in a monolayer graphene by using an approach based on thermodynamical properties. This can be done by considering a system of Dirac particles in an electromagnetic field and taking into account of the edges…
In quartz crystal microbalance (QCM) studies of the friction between an adsorbed monolayer film and a metallic substrate, the films are observed to slide relative to the substrate under inertial forces of order $10^{-14}dyn$ per film atom,…
We present a numerical investigation of the thermal and structural properties of the $^3$He-He II sandwich system adsorbed on a graphite substrate using the Worm Algorithm Quantum Monte Carlo (WAQMC) method (Boninsegni et al., Phys. Rev. E…
We present a novel density functional for liquid 4He, properly accounting for the static response function and the phonon-roton dispersion in the uniform liquid. The functional is used to study both structural and dynamical properties of…
We develop a transfer matrix formalism for four-flux radiative transfer models, which is ideally suited for studying transport through multiple scattering layers. The model, derived for spherical particles within the diffusion…
We review the use of the path integral Monte Carlo (PIMC) methodology to the study of finite-size quantum clusters, with particular emphasis on recent applications to pure and impurity-doped He clusters. We describe the principles of PIMC,…
We computed by a Monte Carlo method derived from the Solid on Solid model, the evolution of a polycrystalline thin film deposited on a substrate during thermal treatment. Two types of substrates have been studied: a single crystalline…
The behavior of quantum fluids (4He and H2) within nanopores is explored in various regimes, using several different methods. A focus is the evolution of each fluid's behavior as pore radius R is increased. Results are derived with the path…
We develop a theory describing density profile of the semi-flexible polymers absorbed onto a planar surface. The theoretical analysis consists of two parts. As a first part, we calculate a density profile of the adsorbed polymers by…
Third sound is studied for superfluid films of 4He adsorbed on multiwall carbon nanotubes packed into an annular resonator. The third sound is generated with mechanical oscillation of the cell, and detected with carbon bolometers. A filling…
Decoherent quantum equations of motion are derived that yield the trajectory of an open quantum system. The viscosity of superfluid Lennard-Jones helium-4 is obtained with a quantum stochastic molecular dynamics algorithm. The momentum…
The phase diagrams of $^4$He adsorbed on the external surfaces of single armchair carbon nanotubes with radii in the range 3.42 -- 10.85 \AA \ are calculated using the diffusion Monte Carlo method. For nanotubes narrower than a (10,10) one,…