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Martin Oettel

Publications and source records attributed to Martin Oettel.

51 records · Page 3Linked to original sources
arXiv2012

Connectivity percolation in suspensions of hard platelets

We present a study on connectivity percolation in suspensions of hard platelets by means of Monte Carlo simulation. We interpret our results using a contact-volume argument based on an effective single--particle cell model. It is commonly assumed that the percolation threshold of anisotropic objects scales as their inverse aspect ratio. While this rule has been shown to hold for rod-like particles, we find that for hard plate-like particles the percolation threshold is non-monotonic in the aspect ratio. It exhibits a shallow minimum at intermediate aspect ratios and then saturates to a constant value. This effect is caused by the isotropic-nematic transition pre-empting the percolation transition. Hence the common strategy to use highly anisotropic, conductive particles as fillers in composite materials in order to produce conduction at low filler concentration is expected to fail for plate-like fillers such as graphene and graphite nanoplatelets.

cond-mat.soft↗
arXiv2011

Hard sphere fluids confined between soft repulsive walls: A comparative study using Monte Carlo and density functional methods

Hard-sphere fluids confined between parallel plates a distance $D$ apart are studied for a wide range of packing fractions, including also the onset of crystallization, applying Monte Carlo simulation techniques and density functional theory. The walls repel the hard spheres (of diameter $σ$) with a Weeks-Chandler-Andersen (WCA) potential $V_{WCA}(z) = 4 ε[(σ_w/z)^{12}-(σ_w/z)^6 + 1/4]$, with range $σ_w = σ/2$. We vary the strength $ε$ over a wide range and the case of simple hard walls is also treated for comparison. By the variation of $ε$ one can change both the surface excess packing fraction and the wall-fluid $(γ_{wf})$ and wall-crystal $(γ_{wc})$ surface free energies. Several different methods to extract $γ_{wf}$ and $γ_{wc}$ from Monte Carlo (MC) simulations are implemented, and their accuracy and efficiency is comparatively discussed. The density functional theory (DFT) using Fundamental Measure functionals is found to be quantitatively accurate over a wide range of packing fractions; small deviations between DFT and MC near the fluid to crystal transition need to be studied further. Our results on density profiles near soft walls could be useful to interpret corresponding experiments with suitable colloidal dispersions.

cond-mat.stat-mech↗
arXiv2011

Electrostatic interactions in critical solvents

The subtle interplay between critical phenomena and electrostatics is investigated by considering the effective force acting on two parallel walls confining a near-critical binary liquid mixture with added salt. The ion-solvent coupling can turn a non-critical repulsive electrostatic force into an attractive one upon approaching the critical point. However, the effective force is eventually dominated by the critical Casimir effect, the universal properties of which are not altered by the presence of salt. This observation allows a consistent interpretation of recent experimental data.

cond-mat.soft↗
arXiv2010

Glass Transition in Confined Geometry

Extending mode-coupling theory, we elaborate a microscopic theory for the glass transition of liquids confined between two parallel flat hard walls. The theory contains the standard MCT equations in bulk and in two dimensions as limiting cases and requires as input solely the equilibrium density profile and the structure factors of the fluid in confinement. We evaluate the phase diagram as a function of the distance of the plates for the case of a hard sphere fluid and obtain an oscillatory behavior of the glass transtion line as a result of the structural changes related to layering.

cond-mat.soft↗
arXiv2010

Dynamics of colloidal particles with capillary interactions

We investigate the dynamics of colloids at a fluid interface driven by attractive capillary interactions. At submillimeter length scales, the capillary attraction is formally analogous to two-dimensional gravity. In particular it is a non-integrable interaction and it can be actually relevant for collective phenomena in spite of its weakness at the level of the pair potential. We introduce a mean-field model for the dynamical evolution of the particle number density at the interface. For generic values of the physical parameters the homogeneous distribution is found to be unstable against large-scale clustering driven by the capillary attraction. We also show that for the instability to be observable, the appropriate values for the relevant parameters (colloid radius, surface charge, external electric field, etc.) are experimentally well accessible. Our analysis contributes to current studies of the structure and dynamics of systems governed by long-ranged interactions and points towards their experimental realizations via colloidal suspensions.

cond-mat.soft↗
arXiv2010

Glass transition of binary mixtures of dipolar particles in two dimensions

We study the glass transition of binary mixtures of dipolar particles in two dimensions within the framework of mode-coupling theory, focusing in particular on the influence of composition changes. In a first step, we demonstrate that the experimental system of König et al. [Eur. Phys. J. E 18, 287 (2005)] is well described by point dipoles through a comparison between the experimental partial structure factors and those from our Monte Carlo simulation. For such a mixture of point particles we show that there is always a plasticization effect, i.e. a stabilization of the liquid state due to mixing, in contrast to binary hard disks. We demonstrate that the predicted plasticization effect is in qualitative agreement with experimental results. Furthermore, also some general properties of the glass transition lines are discussed.

cond-mat.soft↗
arXiv2009

Anisotropies in thermal Casimir interactions: ellipsoidal colloids trapped at a fluid interface

We study the effective interaction between two ellipsoidal particles at the interface of two fluid phases which are mediated by thermal fluctuations of the interface. In this system the restriction of the long--ranged interface fluctuations by particles gives rise to fluctuation--induced forces which are equivalent to interactions of Casimir type and which are anisotropic in the interface plane. Since the position and the orientation of the colloids with respect to the interface normal may also fluctuate, this system is an example for the Casimir effect with fluctuating boundary conditions. In the approach taken here, the Casimir interaction is rewritten as the interaction between fluctuating multipole moments of an auxiliary charge density--like field defined on the area enclosed by the contact lines. These fluctuations are coupled to fluctuations of multipole moments of the contact line position (due to the possible position and orientational fluctuations of the colloids). We obtain explicit expressions for the behavior of the Casimir interaction at large distances for arbitrary ellipsoid aspect ratios. If colloid fluctuations are suppressed, the Casimir interaction at large distances is isotropic, attractive and long ranged (double--logarithmic in the distance). If, however, colloid fluctuations are included, the Casimir interaction at large distances changes to a power law in the inverse distance and becomes anisotropic. The leading power is 4 if only vertical fluctuations of the colloid center are allowed, and it becomes 8 if also orientational fluctuations are included.

cond-mat.soft↗
arXiv2008

Force balance of particles trapped at fluid interfaces

We study the effective forces acting between colloidal particles trapped at a fluid interface which itself is exposed to a pressure field. To this end we apply what we call the ``force approach'', which relies solely on the condition of mechanical equilibrium and turns to be in a certain sense less restrictive than the more frequently used ``energy approach'', which is based on the minimization of a free energy functional. The main goal is to elucidate the advantages and disadvantages of the force approach as compared to the energy approach. First, we derive a general stress-tensor formulation of the forces at the interface and work out a useful analogy with 2D electrostatics in the particular case of small deformations of the interface relative to its flat configuration. We apply this analogy to compute the asymptotic decay of the effective force between particles trapped at a fluid interface, extending the validity of previous results. Second, we address the case of deformations of a non-flat interface. We compute the deformation of a spherical droplet due to the electric field of a charged particle trapped at its surface and conclude that the interparticle capillary force is unlikely to explain certain recent experimental observations. Finally we discuss the application to a generally curved interface and show as an illustrative example that a nonspherical particle deposited on an interface forming a minimal surface is pulled to regions of larger curvature.

cond-mat.soft↗
arXiv2008

Spherically averaged versus angle-dependent interactions in quadrupolar fluids

Employing simplified models in computer simulation is on the one hand often enforced by computer time limitations but on the other hand it offers insights into the molecular properties determining a given physical phenomenon. We employ this strategy to the determination of the phase behaviour of quadrupolar fluids, where we study the influence of omitting angular degrees of freedom of molecules via an effective spherically symmetric potential obtained from a perturbative expansion. Comparing the liquid-vapor coexistence curve, vapor pressure at coexistence, interfacial tension between the coexisting phases, etc., as obtained from both the models with the full quadrupolar interactions and the (approximate) isotropic interactions, we find discrepancies in the critical region to be typically (such as in the case of carbon dioxide) of the order of 4%. However, when the Lennard-Jones parameters are rescaled such that critical temperatures and critical densities of both models coincide with the experimental results, almost perfect agreement between the above-mentioned properties of both models is obtained. This result justifies the use of isotropic quadrupolar potentials. We present also a detailed comparison of our simulations with a combined integral equation/density functional approach and show that the latter provides an accurate description except for the vicinity of the critical point.

cond-mat.stat-mech↗
arXiv2008

Theory of capillary-induced interactions beyond the superposition approximation

Within a general theoretical framework we study the effective, deformation-induced interaction between two colloidal particles trapped at a fluid interface in the regime of small deformations. In many studies, this interaction has been computed with the ansatz that the actual interface configuration for the pair is given by the linear superposition of the interface deformations around the single particles. Here we assess the validity of this approach and compute the leading term of the effective interaction for large interparticle separation beyond this so-called superposition approximation. As an application, we consider the experimentally relevant case of interface deformations owing to the electrostatic field emanating from charged colloidal particles. In mechanical isolation, i.e., if the net force acting on the total system consisting of the particles plus the interface vanishes, the superposition approximation is actually invalid. The effective capillary interaction is governed by contributions beyond this approximation and turns out to be attractive. For sufficiently small surface charges on the colloids, such that linearization is strictly valid, and at asymptotically large separations, the effective interaction does not overcome the direct electrostatic repulsion between the colloidal particles.

cond-mat.soft↗
arXiv2005

Capillary-induced interactions between colloids at an interface

Within a general framework we study the effective, deformation-induced interaction between two colloids trapped at a fluid interface. As an application, we consider the interface deformation owing to the electrostatic field of charged colloids. The effective interaction is attractive and overcomes the direct electrostatic repulsion at large separations if the system is not mechanically isolated. Otherwise, a net attraction seems possible only for large enough colloidal charges.

cond-mat.soft↗
arXiv2000

Baryons as Relativistic Bound States of Quark and Diquark

In this thesis a model framework for describing baryons as diquark-quark bound states is presented which is formulated in an explicitly covariant manner. The relativistic bound state problem for three quarks is considered. Diquarks are introduced as separable correlations in the two-quark correlation function and thereby baryons are described by a Bethe-Salpeter equation for bound states of quark and diquark which interact by quark exchange. In analogy to the meson spectrum, scalar and axialvector diquarks are considered to be the most important two-quark configurations within baryons. The numerical solutions of the covariant Bethe-Salpeter equation are subsequently employed in the calculation of electromagnetic, strong and axial form factors of the nucleons. The construction of the electromagnetic current operator in the diquark-quark model respects gauge invariance. Invariance under chiral symmetry transformations is slightly violated for vector diquarks have been neglected, leading to a modest violation of the Goldberger-Treiman relation. The possibility of an effective parametrization of confinement by suitable modifications of the quark and diquark propagators is investigated. It is shown that the modelling of confinement chosen here is suitable for the calculation of the octet and devuplet spectrum and spacelike nucleon properties, but its applicability breaks down for processes where large energies are transferred to the nucleon as it is the case in certain meson production processes. Model solutions for nucleon wave functions and observables are compared between the full relativistic treatment and a widely used semi-relativistic approximation. The considerable deviations in the results illustrate the inadequacy of employing the semi-relativistic treatment.

nucl-th↗
arXiv2000

Current Conservation in the Covariant Quark-Diquark Model of the Nucleon

The description of baryons as fully relativistic bound states of quark and glue reduces to an effective Bethe-Salpeter equation with quark-exchange interaction when irreducible 3-quark interactions are neglected and separable 2-quark (diquark) correlations are assumed. This covariant quark-diquark model of baryons is studied with the inclusion of the quark substructure of the diquark correlations. In order to maintain electromagnetic current conservation it is then necessary to go beyond the impulse approximation. A conserved current is obtained by including the coupling of the photon to the exchanged quark and direct ``seagull'' couplings to the diquark structure. Adopting a simple dynamical model of constituent quarks and exploring various parametrisations of scalar diquark correlations, the nucleon Bethe-Salpeter equation is solved and the proton and neutron electromagnetic form factors are calculated numerically. The resulting magnetic moments are still about 50% too small, the improvements necessary to remedy this are discussed. The results obtained in this framework provide an excellent description of the electric form factors (and charge radii) of the proton, up to a photon momentum transfer of 3.5GeV^2, and the neutron.

nucl-th↗