709 citations · 7.6k across the 159 of their papers we have counts for
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Analysis of the Phase Transitions in Alkyl- Mica by Density and Pressure Profiles
Hendrik Heinz, Wolfgang Paul, Ulrich W. Suter +1
In a previous work [H. Heinz, H. J. Castelijns, U. W. Suter, J. Am. Chem. Soc. 115, 9500 (2003)], we developed an accurate force field and simulated the phase transitions in C18-mi…
The relaxation dynamics of a supercooled liquid confined by rough walls
Peter Scheidler, Walter Kob, Kurt Binder
We present the results of molecular dynamics computer simulations of a binary Lennard-Jones liquid confined between two parallel rough walls. These walls are realized by frozen amo…
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…
Structure and diffusion in amorphous aluminium silicate: A molecular dynamics computer simulation
Anke Winkler, Jurgen Horbach, Walter Kob +1
The amorphous aluminium silicate (Al2O3)2(SiO2) [AS2] is investigated by means of large scale molecular dynamics computer simulations. We consider fully equilibrated melts in the t…
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…