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Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: overall comparison of tri- and tetra-layer systems
Pedro A. Sánchez, Martin Vögele, Jens Smiatek +3
By employing large-scale molecular dynamics simulations of atomistically resolved oligoelectrolytes in aqueous solutions, we study in detail the first four layer-by-layer depositio…
Cell Model Approaches for Predicting the Swelling and Mechanical Properties of Polyelectrolyte Gels
Jonas Landsgesell, Christian Holm
We present two successive mean-field approximations for describing the mechanical properties and the swelling equilibrium of polyelectrolyte gels in contact with a salt solution. T…
Modeling Gel Swelling Equilibrium in Mean-Field: From explicit Models to Poisson-Boltzmann
Jonas Landsgesell, David Sean, Patrick Kreissl +2
We develop a double mean-field theory for charged macrogels immersed in electrolyte solutions in the spirit of the cell model approach. We first demonstrate that the equilibrium sa…
A Computational Model for Bacterial Run-and-Tumble Motion
Miru Lee, Kai Szuttor, Christian Holm
In our article we present a computational model for the simulation of self-propelled anisotropic bacteria. To this end we use a self-propelled particle model and augment it with a…
Hydrodynamic Mobility Reversal of Squirmers near Flat and Curved Surfaces
Michael Kuron, Philipp Stärk, Christian Holm +1
Self-propelled particles have been experimentally shown to orbit spherical obstacles and move along surfaces. Here, we theoretically and numerically investigate this behavior for a…
A Lattice Boltzmann Model for Squirmers
Michael Kuron, Philipp Stärk, Christian Burkard +2
The squirmer is a simple yet instructive model for microswimmers, which employs an effective slip velocity on the surface of a spherical swimmer to describe its self-propulsion. We…