42 citations · 118 across the 5 of their papers we have counts for
5 papers
Pressure effects on the superconducting critical temperature of Li2B2
Edgar Martínez-Guerra, Filiberto Ortíz-Chi, Stefano Curtarolo +1
We present the structural, electronic and superconducting properties of Li2B2 under pressure within the framework of the density functional theory. The structural parameters, elect…
Noble gas films on a decagonal AlNiCo quasicrystal
W. Setyawan, R. D. Diehl, N. Ferralis +2
Thermodynamic properties of Ne, Ar, Kr, and Xe adsorbed on an Al-Ni-Co quasicrystalline surface (QC) are studied with Grand Canonical Monte Carlo by employing Lennard-Jones interac…
Evidence concerning Drying behavior of Ne near the Cs surface
Francesco Ancilotto, Stefano Curtarolo, Flavio Toigo +1
Using density functional (DF) and Monte Carlo methods, we have studied the properties of Ne adsorbed on a Cs surface, focusing on the region at and near saturated vapor pressure (S…
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…