91 citations · 752 across the 43 of their papers we have counts for
13 papers · 1 filter
Xe films on a decagonal Al-Ni-Co quasicrystal surface
Wahyu Setyawan, Nicola Ferralis, Renee D. Diehl +2
The grand canonical Monte Carlo method is employed to study the adsorption of Xe on a quasicrystalline Al-Ni-Co surface. The calculation uses a semiempirical gas-surface interactio…
Thermodynamic properties and correlation functions of Ar films on the surface of a bundle of nanotubes
Nathan M. Urban, Silvina M. Gatica, Milton W. Cole +1
We employ canonical Monte Carlo simulations to explore the properties of an Ar film adsorbed on the external surface of a bundle of carbon nanotubes. The study is concerned primari…
The existence and properties of gases adsorbed within interstitial channels of nanotube bundles
M. Mercedes Calbi, Flavio Toigo, Milton W. Cole
We analyze the relationship between our group's results and those of three recent papers about gases in interstitial channels within nanotube bundles. In particular, we explain the…
Lattice dilation near a single hydrogen molecule in an interstitial channel within a nanotube bundle
M. Mercedes Calbi, Ari Mizel, Milton W. Cole
We explore the ground state of a single hydrogen molecule within an interstitial channel (IC) of a bundle of carbon nanotubes. A previous (variational) study found that when many m…
Universal anisotropic condensation transition of gases in nanotube bundles
Silvina M. Gatica, M. Mercedes Calbi, Milton W. Cole
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 o…
Bose-Einstein Condensation of Molecular Hydrogen in Nanotube Bundles
Francesco Ancilotto, M. Mercedes Calbi, Silvina M. Gatica +1
We evaluate the effects of heterogeneity on the density of states of H molecules inside interstitial channels within bundles of carbon nanotubes. As temperature (T) falls, the…