Universität Stuttgart
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Item Open Access Tuning the properties and microstructuring of ionic liquid mixtures at surfaces through atomistic modeling(2021) Kobayashi, Takeshi; Fyta, Maria (Prof. Dr.)Item Open Access Simulation of novel magnetic materials in the field of soft matter(2014) Weeber, Rudolf; Holm, Christian (Prof. Dr.)This thesis has dealt with the tailoring of magnetic soft matter. Two strategies are available to achieve this goal. First, it is possible to alter the magnetic nanoparticles, in order to change their interactions. Second, it is possible to exchange the carrier fluid into which the magnetic particles are embedded by a more complex matrix. For each of these two possibilities, an example was studied, namely shifted-dipole particles and magnetic gels. Shifted-dipole particles (sd-particles) are a special kind of model magnetic particles which can be used to explain findings for particles with magnetic caps as well as for particles with magnetic inclusions. Magnetic gels, on the other hand, derive their particular properties from an interplay of the magnetic properties of the nanoparticles and the elastic behavior of the polymer matrix. In the thesis, the findings for these two systems will be discussed, and further research questions will be identified.Item Open Access Modeling the translocation of DNA structures through nanopores(2021) Szuttor, Kai; Holm, Christian (Prof. Dr.)Item Open Access Lattice Boltzmann simulations of fluid flow in the vicinity of rough and hydrophobic boundaries(2010) Kunert, Christian; Harting, Jens (P.D. Dr.)In recent years, it became possible to perform very well controlled experiments that have shown a violation of the no-slip boundary condition in sub-micron sized geometries. Since then, mostly experimental, but also theoretical works, as well as computer simulations, have been performed to improve our understanding of boundary slip. The topic is of fundamental interest because it has practical consequences in the physical and engineering sciences as well as for medical and industrial applications. This work focuses on numerical investigations of the slip phenomenon by means of lattice Boltzmann simulations with a strong focus on roughness and the interplay between roughness and wetting phenomena. To do so, two different slip measurement methods are simulated. One is to apply a Poiseuille flow between two patterned boundaries, and to record the flow profile. Then, the profile can be compared to the theoretical one, which assumes a slip boundary condition. The second method records the drag force that is acting on a sphere which is moved with a constant velocity towards the observed surface. Due to the influence of the boundary, the drag force acting on the sphere is disturbed and a correction function is needed to describe the measured force.Item Open Access Hocheffiziente Präzisionsalgorithmen zur Modellierung und Analyse granularer poröser Medien(2020) Zauner, Thomas; Hilfer, Rudolf (Prof. Dr. Dr.)Item Open Access Untersuchung der Pfropfendynamik und -stabilität bei der vertikalen und horizontalen Pfropfenförderung(2005) Strauß, Martin; Herrman, Hans J. (Prof. Dr.)Die Pfropfenförderung stellt ein produktschonendes Transportverfahren für granulare Medien dar, dass in der Industrie breite Verwendung findet. Eine zuverlässige Voraussage des Massentransportes bei der Auslegung industrieller Anlagen ist beim derzeitigen Wissensstand jedoch nicht möglich, da Grundkenntnisse über diesen Fördertyp fehlen. Ursache ist, dass sich die Untersuchung der bei der Pfropfenförderung mittels Druckluft durch Transportröhren getriebenen Granulatpfropfen sich weitestgehend experimentellen Messmethoden entzieht. Um Zugang zu den Prozessen während des Transportes zu erhalten, wurde für diese Arbeit die Förderung mittels einer Kombination aus Molekulardynamiksimulation und einem Löser für den Druckverlust am System auf dem Computer nachgebildet. Die Gültigkeit des Ansatzes wurde mittels experimenteller Messdaten an einer Anlage im Maßstab 1 zu 1 nachgewiesen. Es wurden sowohl Parameterstudien für die vertikale als auch die horizontale Förderung durchgeführt. Die Ergebnisse zeigen unter anderem, dass die Stabilität der Pfropfen durch entgegengesetzt auf den Pfropfen wirkende Kräfte bewirkt wird. Maßgeblich sind dabei die vorantreibende Druckluft und die auf den Pfropfen treffenden bremsenden Granulatteilchen zwischen den Pfropfen. Der Effekt ist unabhängig von der Transportrichtung. Unterschiede im Längenwachstum und der inneren Dynamik der Pfropfen zwischen vertikaler und horizontaler Förderung zeigen, dass eine einheitliche Abhandlung der Förderungsrichtungen bei der Auslegung von industriellen Anlagen nicht sinnvoll ist.Item Open Access The electrophoretic mobility of bare and soft spherical colloids : a molecular dynamics study(2014) Raafatnia, Shervin; Holm, Christian (Prof. Dr.)In this work, the electrophoretic mobility of colloids in salt solutions are studied by means of coarse-grained Molecular Dynamics simulations. Two different types of colloids are considered; bare colloids and polyelectrolyte-grafted colloids. A novel model for simulation of large bare colloids in the presence of explicit ions is developed. Comparison of the results with experimental data helps gain a better understanding of the mechanisms responsible for the interesting phenomenon of mobility reversal. Furthermore, a hitherto unknown electrokinetic behavior of polyelectrolyte-grafted colloids is found from simulations including full hydrodynamic interactions. The validity of the existing theories is verified via comparison with simulation results.Item Open Access Simulations on evolutionary phenomena with ageing models(2006) Schwämmle, Veit; Herrmann, Hans (Prof.)The idea of reducing the characteristics of highly complex systems to some basic features without losing the essential informations has been successful for the comprehension of not only physical systems. The experience in treating systems which consist of many elements that interact over different time scales as well as over wide distances, has opened many interdisciplinary fields to statistical physicists. Although animals and human beings behave in a much more complex way than for instance atoms or molecules, simple statistical models are able to reproduce many biological phenomena. The goal is to reproduce the collective behaviour of a large number of organisms: their individual properties are not of crucial importance. Due to the strongly increasing computer power along the last fifty years, computational models have gained more and more importance for research in many areas. The limitation of analytical models to describe accurately non-linear systems with critical behavior makes computational models nearly irreplaceable.Item Open Access Sand dunes on Mars and on Earth(2007) Ribeiro Parteli, Eric Josef; Herrmann, Hans Jürgen (Prof. Dr.)In this work the dune model introduced by Sauermann et al. (2001) is extended and applied to investigate the formation of different dune shapes on Mars and on Earth as function of wind directionality and sand availability. The formation of sand dunes on Mars under the present atmospheric conditions of the red planet is studied and conclusions about wind speed, migration velocity of dunes and changing wind regimes on Mars are presented. Field measurements of the shape of coastal transverse dunes are presented and the formation of coastal dune fields is explained. Finally, the formation of linear dunes by bimodal wind regimes is calculated. The simulations explain the appearance of exotic bimodal dune shapes in areas of low sand availability on Mars and on Earth.Item Open Access Entropic segregation of polymers under confinement(2016) Minina, Elena; Holm, Christan (Prof. Dr.)Overlapping polymers confined in a cylinder experience strong repulsion that drives them towards segregation. This has biological relevance to chromosome segregation in single-celled elongated bacteria such as Escherichia coli because in principle, chromosomes can segregate for purely entropic reasons without any help from active mechanisms. In this thesis, we investigated entropic segregation of polymers under cylindrical confinement of infinite length where the confining cylinder is so narrow that its diameter is significantly smaller than the radius of gyration of the unconfined polymers.