106 citations · 824 across the 47 of their papers we have counts for
6 papers · 1 filter
Molecular simulation of fluid dynamics on the nanoscale
Jadran Vrabec, Elmar Baumhögger, Andreas Elsner +5
Molecular dynamics simulation is applied to Poiseuille flow of liquid methane in planar graphite channels, covering channel diameters between 3 and 135 nm. On this length scale, a…
Research on the behavior of liquid fluids atop superhydrophobic gas-bubbled surfaces
Gerrit C. Lehmann, Frithjof Dubberke, Martin Horsch +5
Superhydrophobic surfaces play an important role in the development of new product coatings such as cars, but also in mechanical engineering, especially design of turbines and comp…
Development of models and methods for the molecular simulation of large systems and molecules
Jonathan Walter, Thorsten Merker, Martin Horsch +2
The most important factor for quantitative results in molecular dynamics simulation are well developed force fields and models. In the present work, the development of new models a…
The air pressure effect on the homogeneous nucleation of carbon dioxide by molecular simulation
Martin Horsch, Zengyong Lin, Thorsten Windmann +2
Vapour-liquid equilibria (VLE) and the influence of an inert carrier gas on homogeneous vapour to liquid nucleation are investigated by molecular simulation for quaternary mixtures…
Molecular modeling of hydrogen bonding fluids: Vapor-liquid coexistence and interfacial properties
Martin Horsch, Martina Heitzig, Thorsten Merker +4
A major challenge for molecular modeling consists in optimizing the unlike interaction potentials. In many cases, combination rules are generally suboptimal when accurate predictio…
Contact angle dependence on the fluid-wall dispersive energy
Martin Horsch, Martina Heitzig, Calin Dan +3
Vapor-liquid menisci of the truncated and shifted Lennard-Jones fluid between parallel planar walls are investigated by molecular dynamics simulation. Thereby, the characteristic e…