64 citations · 64 across the 7 of their papers we have counts for
4 papers · 1 filter
Calculation of local pressure tensors in systems with many-body interactions
Hendrik Heinz, Wolfgang Paul, Kurt Binder
Local pressures are important in the calculation of interface tensions and in analyzing micromechanical behavior. The calculation of local pressures in computer simulations has bee…
Amorphous silica at surfaces and interfaces: simulation studies
Juergen Horbach, Torsten Stuehn, Claus Mischler +2
The structure of surfaces and interfaces of silica (SiO2) is investigated by large scale molecular dynamics computer simulations. In the case of a free silica surface, the results…
Interplay between wetting and phase behavior in binary polymer films and wedges: Monte Carlo simulations and mean field calculations
Marcus Mueller, Kurt Binder
We study the interplay between wetting and miscibility of a symmetric polymer mixture via MC simulations and SCF calculations. The film surfaces interact with the monomers via shor…
The droplet evaporation/condensation transition in a finite volume
P. Virnau, L. G. MacDowell, M. Mueller +1
A fluid in the NVT ensemble at T less than the critical temperature T_c and rho = N/V somewhat in excess of rho_coex (density of the saturated gas in the gas-liquid transition) is…