253 citations · 552 across the 9 of their papers we have counts for
6 papers · 1 filter
Quasi-one and two-dimensional transitions of gases adsorbed on nanotube bundles
S. M. Gatica, M. J. Bojan, G. Stan +1
Grand canonical Monte Carlo simulations have been performed to determine the adsorption behavior of Ar and Kr atoms on the exterior surface of a rope (bundle) consisting of many ca…
Uptake of gases in bundles of carbon nanotubes
G. Stan, M. J. Bojan, S. Curtarolo +2
Model calculations are presented which predict whether or not an arbitrary gas experiences significant absorption within carbon nanotubes and/or bundles of nanotubes. The potential…
Computer simulation studies of wetting on heterogeneous surfaces
S. Curtarolo, M. J. Bojan, G. Stan +2
The wetting of solid surfaces by fluids is a problem of great practical importance that has been extensively studied over the years. Most often, the experimental work has involved…
Threshold criterion for wetting at the triple point
S. Curtarolo, G. Stan, M. J. Bojan +2
Grand canonical simulations are used to calculate adsorption isotherms of various classical gases on alkali metal and Mg surfaces. Ab initio adsorption potentials and Lennard-Jones…
Computer Simulations of the Wetting Properties of Neon on Heterogeneous Surfaces
S. Curtarolo, M. W. Cole, M. J. Bojan +1
We use the grand canonical Monte Carlo method to study the nature of wetting transitions on a variety of heterogeneous surfaces. The model system we explore, Ne adsorption on Mg, i…
Wetting transitions of Ne
M. J. Bojan, G. Stan, S. Curtarolo +2
We report studies of the wetting behavior of Ne on very weakly attractive surfaces, carried out with the Grand Canonical Monte Carlo method. The Ne-Ne interaction was taken to be o…