709 citations · 7.6k across the 159 of their papers we have counts for
5 papers · 1 filter
Spinodal Decomposition in Thin Films: Molecular Dynamics Simulations of a Binary Lennard-Jones Fluid Mixture
S. K. Das, S. Puri Jawaharlal, J. Horbach +1
We use molecular dynamics (MD) to simulate an unstable homogeneous mixture of binary fluids (AB), confined in a slit pore of width . The pore walls are assumed to be flat and st…
Structure and transport properties of amorphous aluminium silicates: computer simulation studies
Patrick Pfleiderer, Juergen Horbach, Kurt Binder
The structure and transport properties of SiO2-Al2O3 melts containing 13 mol% and 47 mol% Al2O3 are investigated by means of large scale molecular dynamics computer simulations. Th…
Water adsorption on amorphous silica surfaces: A Car-Parrinello simulation study
Claus Mischler, Juergen Horbach, Walter Kob +1
A combination of classical molecular dynamics (MD) and ab initio Car-Parrinello molecular dynamics (CPMD) simulations is used to investigate the adsorption of water on a free amorp…
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…
Molecular Dynamics Computer Simulation of the Dynamics of Supercooled Silica
Jurgen Horbach, Walter Kob, Kurt Binder
We present the results of a large scale computer simulation of supercooled silica. We find that at high temperatures the diffusion constants show a non-Arrhenius temperature depend…