709 citations · 7.6k across the 159 of their papers we have counts for
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Phase transitions in nanosystems caused by interface motion: The Ising bi-pyramid with competing surface fields
A. Milchev, M. Mueller, K. Binder
The phase behavior of a large but finite Ising ferromagnet in the presence of competing surface magnetic fields +/- H_s is studied by Monte Carlo simulations and by phenomenologica…
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…
Kinetics of Phase Separation in Thin Films: Simulations for the Diffusive Case
Subir K. Das, Sanjay Puri, Juergen Horbach +1
We study the diffusion-driven kinetics of phase separation of a symmetric binary mixture (AB), confined in a thin-film geometry between two parallel walls. We consider cases where…
A global investigation of phase equilibria using the Perturbed-Chain Statistical-Associating-Fluid-Theory (PC-SAFT) approach
L. Yelash, M. Mueller, W. Paul +1
The recently developed Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) is investigated for a wide range of model parameters including the parameter m representing 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…