Related papers: 4He adsorbed inside (10,10) single walled carbon n…
A semi-phenomenological model of a many-particle system of 4He atoms is proposed, in which a helium atom is considered as a complex consisting of a nucleus and a bound pair of electrons in the singlet state. At zero temperature, there are…
This study employs molecular dynamics simulations to examine the physisorption behavior of hydrocarbon molecules on a covalent graphene-nanotube hybrid nanostructure. The results indicate that the adsorbed molecules undergo self-diffusion…
We have performed quantum Monte Carlo simulations measuring the finite size and temperature superfluid response of helium-4 to the linear and rotational motion of the walls of a nanopore. Within the two-fluid model, the portion of the…
The flow of liquid helium through a single nanohole with radius smaller than 25 nm was studied for the first time. Mass flow was induced by applying a pressure difference of up to 1.4 bar across a 50 nm thick Si3N4 membrane and was measured…
Following the synthesis of aligned single-wall carbon nanotubes in the channels of AlPO4-5 zeolite single crystals, we present the first X-ray diffraction and diffuse scattering results. They can be analysed in terms of a partial filling of…
We present three-dimensional Monte-Carlo simulations of the capture of 1000 K $^7$Li or 500 K $^{87}$Rb atoms by a continuous supersonic $^4$He jet and show that intense alkali-metal beams form with narrow transverse and longitudinal…
A correlation is observed between the diameter (d) distribution of single walled carbon nanotubes and the percentages of metallic and semiconducting tubes in materials synthesized at low temperature (600 C) by plasma-assisted chemical vapor…
Structure and superfluid response of nanoscale size helium-four clusters enclosed in spherical cavities are studied by computer simulations. The curved surface causes the formation of well-defined concentric shells, thus imparting to the…
Path Integral Monte Carlo calculations of the superfluid density throughout ^4He droplets doped with linear impurities (HCN)_n are presented. After deriving a local estimator for the superfluid density distribution, we find a decreased…
We study the low temperature phase behavior of hydrogen within a bundle of carbon nanotubes. Because the carbon environment weakens the attraction between molecules within the same interstitial channel (IC), the ground state of the…
For solid 4He and solid p-H2, using the flow-energy-minimizing one-body phase function and exact T=0 K Monte Carlo calculations of the local density, we have calculated the phase function, the velocity profile and upper bounds for the…
Rotational absorption spectra of acetylene in superfluid $^4$He are calculated using a combined correlated basis function-diffusion Monte Carlo method (CBF/DMC) as well as a numerically exact path integral correlation function approach…
The structure and elastic properties of (5,5) and (10,10) nanotubes, as well as barriers for relative rotation of the walls and their relative sliding along the axis in a double-walled (5,5)@(10,10) carbon nanotube, are calculated using the…
Path-integral Monte Carlo calculations have been performed to study the $^4$He adsorption on both sides of a single $\alpha$-graphyne sheet. For investigation of the interlayer correlation between the upper and the lower monolayer of $^4$He…
We present a first-principles study of the atomic hydrogen adsorption onto the Be(10\={1}0) thin film. There are two types of Be(10\={1}0) surfaces according to the interlayer spacing between the surface and its nearest-neighbor layer. We…
A quantum Monte Carlo approach, considering all the corrugation effects, was used to calculate the complete phase diagram of the second $^3$He layer adsorbed on graphite. We found that a first-layer triangular solid was in equilibrium with…
We theoretically study the stability of the solidified second-layer 3He at 4/7 of the first-layer density adsorbed on graphite, which exhibits quantum spin liquid. We construct a lattice model for the second-layer 3He by taking account of…
The absorption energy of atomic hydrogen at rotated graphene bilayers is studied using ab initio methods based on the density functional theory including van der Waals interactions. We find that, due to the surface corrugation induced by…
We have examined superfluid properties of $^4$He confined to a nano-porous Gelsil glass that has nanopores 2.5 nm in diameter. The pressure-temperature phase diagram was determined by torsional oscillator, heat capacity and pressure…
Chemical vapor deposition synthesis of single-walled carbon nanotubes experiments, using Fe catalyst, and alternating methane and carbon monoxide as carbon feedstocks, lead to the reversible formation of junctions between tubes of different…