**Manipulating shear-induced non-equilibrium transitions in colloidal films by feedback control**

*Vezirov, Tarlan A. ; Gerloff, Sascha ; Klapp, Sabine H. L.* (2015)

Using Brownian Dynamics (BD) simulations we investigate non-equilibrium transitions of sheared colloidal films under controlled shear stress sigma(xz). In our approach the shear rate (gamma) over dot is a dynamical variable, which relaxes on a time scale tau(c) such that the instantaneous, configuration-dependent stress sigma(xz)(t) approaches a pre-imposed value. Investigating the dynamics und...

**Tunable structures of mixtures of magnetic particles in liquid-crystalline matrices**

*Peroukidis, Stavros D. ; Lichtner, Ken ; Klapp, Sabine H. L.* (2015)

We investigate the self-organization of a binary mixture of similar sized rods and dipolar soft spheres by means of Monte-Carlo simulations. We model interparticle interactions by employing anisotropic Gay-Berne, dipolar and soft-sphere interactions. In the limit of vanishing magnetic moments we obtain a variety of fully miscible liquid crystalline phases including nematic, smectic and lamellar...

**Generic model for tunable colloidal aggregation in multidirectional fields**

*Kogler, Florian ; Velev, Orlin D. ; Hall, Carol K. ; Klapp, Sabine H. L.* (2015)

Based on Brownian Dynamics computer simulations in two dimensions we investigate aggregation scenarios of colloidal particles with directional interactions induced by multiple external fields. To this end we propose a model which allows continuous change in the particle interactions from point-dipole-like to patchy-like (with four patches). We show that, as a result of this change, the non-equi...

**Effects of magnetic field gradients on the aggregation dynamics of colloidal magnetic nanoparticles**

*Heinrich, Dirk ; Goñi, Alejandro R. ; Osán, Tristán ; Cerioni, L. M. C. ; Smessaert, Anton ; Klapp, Sabine H. L. ; Faraudo, Jordi ; Pusiol, Daniel Jose ; Thomsen, Christian* (2015)

We have used low-field H-1 nuclear-magnetic resonance (NMR) spectroscopy and molecular dynamics (MD) to investigate the aggregation dynamics of magnetic particles in ionic ferrofluids (IFFs) in the presence of magnetic field gradients. At the beginning of the experiments, the measured NMR spectra were broad and asymmetric, exhibiting two features attributed to different dynamical environments o...

**Self-assembly of three-dimensional ensembles of magnetic particles with laterally shifted dipoles**

*Yener, Arzu B. ; Klapp, Sabine H. L.* (2016)

We consider a model of colloidal spherical particles carrying a permanent dipole moment which is laterally shifted out of the particles' geometrical centres, i.e. the dipole vector is oriented perpendicular to the radius of the particles. Varying the shift delta from the centre, we analyse ground state structures for two, three and four hard spheres, using a simulated annealing procedure. We al...

**The effect of charge separation on the phase behavior of dipolar colloidal rods**

*Rutkowski, David M. ; Velev, Orlin D. ; Klapp, Sabine H. L. ; Hall, Carol K.* (2016)

Colloids with anisotropic shape and charge distribution can assemble into a variety of structures that could find use as novel materials for optical, photonic, electronic and structural applications. Because experimental characterization of the many possible types of multi-shape and multipolar colloidal particles that could form useful structures is difficult, the search for novel colloidal mat...

**Dynamics of a bacterial flagellum under reverse rotation**

*Adhyapak, Tapan Chandra ; Stark, Holger* (2016)

To initiate tumbling of an E. coli, one of the helical flagella reverses its sense of rotation. It then transforms from its normal form first to the transient semicoiled state and subsequently to the curly-I state. The dynamics of polymorphism is effectively modeled by describing flagellar elasticity through an extended Kirchhoff free energy. However, the complete landscape of the free energy r...

**Orientational order and translational dynamics of magnetic particle assemblies in liquid crystals**

*Peroukidis, Stavros D. ; Klapp, Sabine H. L.* (2016)

Implementing extensive molecular dynamics simulations we explore the organization of magnetic particle assemblies (clusters) in a uniaxial liquid crystalline matrix comprised of rodlike particles. The magnetic particles are modelled as soft dipolar spheres with diameter significantly smaller than the width of the rods. Depending on the dipolar strength coupling the magnetic particles arrange in...

**Multidirectional colloidal assembly in concurrent electric and magnetic fields**

*Bharti, Bhuvnesh ; Kogler, Florian ; Hall, Carol K. ; Klapp, Sabine H. L. ; Velev, Orlin D.* (2016)

Dipolar interactions between nano- and micron sized colloids lead to their assembly into domains with well-defined local order. The particles with a single dipole induced by an external field assemble into linear chains and clusters. However, to achieve the formation of multidirectionally organized nano-or microassemblies with tunable physical characteristics, more sophisticated interaction too...

**Phase separation and coexistence of hydrodynamically interacting microswimmers**

*Blaschke, Johannes ; Maurer, Maurice ; Menon, Karthik ; Zöttl, Andreas ; Stark, Holger* (2016)

A striking feature of the collective behavior of spherical microswimmers is that for sufficiently strong self-propulsion they phase-separate into a dense cluster coexisting with a low-density disordered surrounding. Extending our previous work, we use the squirmer as a model swimmer and the particle-based simulation method of multi-particle collision dynamics to explore the influence of hydrody...

**Taylor line swimming in microchannels and cubic lattices of obstacles**

*Münch, Jan L. ; Alizadehrad, Davod ; Babu, Sujin B. ; Stark, Holger* (2016)

Microorganisms naturally move in microstructured fluids. Using the simulation method of multi-particle collision dynamics, we study in two dimensions an undulatory Taylor line swimming in a microchannel and in a cubic lattice of obstacles, which represent simple forms of a microstructured environment. In the microchannel the Taylor line swims at an acute angle along a channel wall with a clearl...

**Active Brownian motion of emulsion droplets: coarsening dynamics at the interface and rotational diffusion**

*Schmitt, Max ; Stark, Holger* (2016)

A micron-sized droplet of bromine water immersed in a surfactant-laden oil phase can swim (S. Thutupalli, R. Seemann, S. Herminghaus, New J. Phys. 13073021 (2011). The bromine reacts with the surfactant at the droplet interface and generates a surfactant mixture. It can spontaneously phase-separate due to solutocapillary Marangoni flow, which propels the droplet. We model the system by a diffus...

**Shear banding in nematogenic fluids with oscillating orientational dynamics**

*Lugo-Frias, Rodrigo ; Reinken, Henning ; Klapp, Sabine H. L.* (2016)

We investigate the occurrence of shear banding in nematogenic fluids under planar Couette flow, based on mesoscopic dynamical equations for the orientational order parameter and the shear stress. We focus on parameter values where the sheared homogeneous system exhibits regular oscillatory orientational dynamics, whereas the equilibrium system is either isotropic (albeit close to the isotropic-...

**Active Brownian particles moving in a random Lorentz gas**

*Zeitz, Maria ; Wolff, Katrin ; Stark, Holger* (2017)

Biological microswimmers often inhabit a porous or crowded environment such as soil. In order to understand how such a complex environment influences their spreading, we numerically study non-interacting active Brownian particles (ABPs) in a two-dimensional random Lorentz gas. Close to the percolation transition in the Lorentz gas, they perform the same subdiffusive motion as ballistic and diff...

**Topology in weakly and strongly nonlinear bosonic systems**

*Engelhardt, Georg* (2017)

Presently, the experimental and theoretical investigation of topological band structures in photonic, phononic and other bosonic systems exhibits fast progress. This thesis deals with possible topological effects and properties which can appear due to weak and strong interactions and nonlinearities in bosonic systems. Excitations of weakly-interacting bosonic systems are commonly investigated...

**Exact maps in density-functional theory**

*Dimitrov, Tanja* (2017)

Providing sufficient accuracy at low-computational cost, not surprisingly, density-functional theory ( DFT ) is a standard tool in theoretical material science. Similarly, quantum-electrodynamical density-functional theory ( QEDFT ) provides a promising route to describe experiments at the interface of quantum optics and quantum chemistry. Formally, in the Kohn-Sham ( KS ) formulation of DFT an...

**The role of van der Waals interactions on the electronic properties of molecules and materials**

*Ferri, Nicola* (2017)

Long-range van der Waals (vdW) interactions play a fundamental role in the structure and stability of many systems, ranging from small dimers to complex hybrid inorganic/organic systems (HIOS). However, how strong is the effect of vdW interactions on the electronic properties of molecules and extended systems? It is often argued that the vdW energy has a small, or even negligible, direct influe...

**Self-assembly and self-organization of magnetic Janus-like colloids in three dimensions**

*Yener, Arzu Bahar* (2017)

In this thesis, we investigate the recent model of laterally shifted dipoles, i.e. spherical particles carrying a magnetic dipole moment in a non-central position, with a view to selfassembly as well as to the collective dynamics and the related pattern formation in threedimensional bulk systems in equilibrium and in the presence of a rotating magnetic field. The shift, i.e the distance of the ...

**Active emulsion droplets driven by Marangoni flow**

*Schmitt, Maximilian* (2017)

Diese Forschungarbeit beinhaltet Theorie und Simulation aktiver Emulsionstropfen, die aufgrund einer inhomogenen Oberflächenspannung auf ihrer Grenzfläche schwimmen. Der zugrundeliegende Effekt heißt Marangoni-Effekt. Eine Möglichkeit den Marangoni-Effekt zu nutzen um einen Tropfen in Bewegung zu setzen, basiert auf einer chemischen Reaktion von grenzflächenaktiven Molekülen, sogenannten Tensid...

**Dense colloidal suspensions in microchannel flow**

*Kanehl, Philipp* (2017)

Kolloidale Suspensionen im Scherrfluss migrieren in Richtung kleiner Scherrate. Suspensionen mit zwei verschiedenen Teilchengrößen entmischen sich im Zentrum eines Mikrokanals. Kolloide in Kanälen mit sehr hoher Packungsdichte können Staus bilden welche reguläre Oszillationen in der Flussgeschwindigkeit auslösen. Diese Geschwindigkeitsoszillationen werden von Verdünnungswellen in der Packungsdi...