arXiv subjects

Sabine H. L. Klapp

Publications and source records attributed to Sabine H. L. Klapp.

At least 55 records · Page 3Linked to original sources

arXiv2019

Steady-state rheology and structure of soft hybrid mixtures of liquid crystals and magnetic nanoparticles

Using non-equilibrium molecular dynamics simulations, we study the rheology of a model hybrid mixture of liquid crystals (LCs) and dipolar soft spheres (DSS) representing magnetic nanoparticles. The bulk isotropic LC-DSS mixture is sheared with different shear rates using Lees-Edwards periodic boundary conditions. The steady-state rheological properties and the effect of the shear on the microstructure of the mixture are studied for different strengths of the dipolar coupling, $λ$, among the DSS. We find that at large shear rates, the mixture shows a shear-thinning behavior for all considered values of $λ$. At low and intermediate values of $λ$, a crossover from Newtonian to non-Newtonian behavior is observed as the rate of applied shear is increased. In contrast, for large values of $λ$, such a crossover is not observed within the range of shear rates considered. Also, the extent of the non-Newtonian regime increases as $λ$ is increased. These features can be understood via the shear-induced changes of the microstructure. In particular, the LCs display a shear-induced isotropic-to-nematic transition at large shear rates with a shear-rate dependent degree of nematic ordering. The DSS show a shear-induced nematic ordering only for large values of $λ$, where the particles self-assemble into chains. Moreover, at large $λ$ and low shear rates, our simulations indicate that the DSS form ferromagnetic domains.

cond-mat.soft↗

arXiv2019

Non-reciprocal hidden degrees of freedom: A unifying perspective on memory, feedback, and activity

We show that memory, feedback, and activity are all describable by the same unifying concept, that is non-reciprocal (NR) coupling. We demonstrate that characteristic thermodynamic features of these intrinsically nonequilibrium systems are reproduced by low-dimensional Markovian networks with NR coupling, which we establish as minimal models for such complex systems. NR coupling alone implies a violation of the fluctuation-dissipation relation, which is inevitably connected to entropy production, i.e., irreversibility. Hiding the NR coupled degrees of freedom renders non-Markovian, one-variable Langevin descriptions with complex types of memory, for which we find a generalized second law involving information flow. We demonstrate that non-monotonic memory is inextricably linked to NR coupling. Furthermore, we discuss discrete time delay as the infinite-dimensional limit, and find a divergent entropy production, corresponding to unbounded cost for precisely storing a Brownian trajectory.

cond-mat.stat-mech↗

arXiv2019

Freezing of a soft-core fluid in a one-dimensional potential: Predictions based on a pressure-balance equation

Using concepts from classical density functional theory (DFT) we investigate the freezing of a two-dimensional (2D) system of ultra-soft particles in a one-dimensional (1D) external potential; a phenomenon often called laser-induced freezing (LIF). In the first part of the paper, we present numerical results from free minimization of a mean-field density functional for a system of particles interacting via the GEM-4 potential. We show that the system does indeed display a LIF transition, although the interaction potential is markedly different from the cases studied before. We also show that one may consider the (suitably defined) effective density within the potential wells, $\barρ_{\text{eff}}$, as a control parameter of LIF, rather than the amplitude of the external potential as in the common LIF scenario. In the second part, we suggest a new theoretical description of the onset of LIF which bases on the pressure balance equation relating the pressure tensor and the external potential. Evaluating this equation for the modulated liquid phase at effective density $\barρ_{\text{eff}}$ and combining it with the (known) stability threshold of the corresponding bulk fluid, we can predict the critical effective density or, equivalently, the potential amplitude related to the onset of LIF. Our approach yields very good results for the model at hand, and it is transferable, in principle, to other model systems.

cond-mat.soft↗

arXiv2019

Non-monotonic response of a sheared magnetic liquid crystal to an external field

Utilizing molecular dynamics simulations, we report a non-monotonic dependence of the shear stress on the strength of an external magnetic field ($H$) in a liquid-crystalline mixture of magnetic and non-magnetic anisotropic particles. This non-monotonic behavior is in sharp contrast with the well-studied monotonic $H$-dependency of the shear stress in conventional ferrofluids, where the shear stress increases with $H$ until it reaches a saturation value. We relate the origin of this non-monotonicity to the competing effects of particle alignment along the shear-induced direction, on the one hand, and the magnetic field direction, on the other hand. To isolate the role of these competing effects, we consider a two-component mixture composed of particles with effectively identical steric interactions, where the orientations of a small fraction, i.e.\ the magnetic ones, are coupled to the external magnetic field. By increasing $H$ from zero, the orientations of the magnetic particles show a Fréederickz-like transition and eventually start deviating from the shear-induced orientation, leading to an increase in shear stress. Upon further increase of $H$, a demixing of the magnetic particles from the non-magnetic ones occurs which leads to a drop in shear stress, hence creating a non-monotonic response to $H$. Unlike the equilibrium demixing phenomena reported in previous studies, the demixing observed here is neither due to size-polydispersity nor due to a wall-induced nematic transition. Based on a simplified Onsager analysis, we rather argue that it occurs solely due to packing entropy of particles with different shear- or magnetic-field-induced orientations.

cond-mat.soft↗

arXiv2019

Modeling of nonequilibrium surface growth by a limited mobility model with distributed diffusion length

Kinetic Monte-Carlo (KMC) simulations are a well-established numerical tool to investigate the time-dependent surface morphology in molecular beam epitaxy (MBE) experiments. In parallel, simplified approaches such as limited mobility (LM) models characterized by a fixed diffusion length have been studied. Here, we investigate an extended LM model to gain deeper insight into the role of diffusional processes concerning the growth morphology. Our model is based on the stochastic transition rules of the Das Sarma-Tamborena (DT) model, but differs from the latter via a variable diffusion length. A first guess for this length can be extracted from the saturation value of the mean-squared displacement calculated from short KMC simulations. Comparing the resulting surface morphologies in the sub- and multilayer growth regime to those obtained from KMC simulations, we find deviations which can be cured by adding fluctuations to the diffusion length. This mimics the stochastic nature of particle diffusion on a substrate, an aspect which is usually neglected in LM models. We propose to add fluctuations to the diffusion length by choosing this quantity for each adsorbed particle from a Gaussian distribution, where the variance of the distribution serves as a fitting parameter. We show that the diffusional fluctuations have a huge impact on cluster properties during submonolayer growth as well as on the surface profile in the high coverage regime. The analysis of the surface morphologies on one- and two-dimensional substrates during sub- and multilayer growth shows that the LM model can produce structures that are indistinguishable to the ones from KMC simulations at arbitrary growth conditions.

physics.comp-ph↗

arXiv2019

Fokker-Planck equations for time-delayed systems via Markovian Embedding

For stochastic systems with discrete time delay, the Fokker-Planck equation (FPE) of the one-time probability density function (PDF) does not provide a complete, self-contained probabilistic description. It explicitly involves the two-time PDF, and represents, in fact, only the first member of an infinite hierarchy. We here introduce a new approach to obtain a Fokker-Planck description by using a Markovian embedding technique and a subsequent limiting procedure. On this way, we find a closed, complete FPE in an infinite-dimensional space, from which one can derive a hierarchy of FPEs. While the first member is the well-known FPE for the one-time PDF, we obtain, as second member, a new representation of the equation for the two-time PDF. From a conceptual point of view, our approach is simpler than earlier derivations and it yields interesting insight into both, the physical meaning, and the mathematical structure of delayed processes. We further propose an approximation for the two-time PDF, which is a central quantity in the description of these non-Markovian systems as it directly gives the correlation between the present and the delayed state. Application to a prototypical bistable system reveals that this approximation captures the non-trivial effects induced by the delay remarkably well, despite its surprisingly simple form. Moreover, it outperforms earlier approaches for the one-time PDF in the regime of large delays.

cond-mat.stat-mech↗

arXiv2019

Delayed feedback control of active particles: a controlled journey towards the destination

We explore theoretically the navigation of an active particle based on delayed feedback control. The delayed feedback enters in our expression for the particle orientation which, for an active particle, determines (up to noise) the direction of motion in the next time step. Here we estimate the orientation by comparing the delayed position of the particle with the actual one. This method does not require any real-time monitoring of the particle orientation and may thus be relevant also for controlling sub-micron sized particles, where the imaging process is not easily feasible. We apply the delayed feedback strategy to two experimentally relevant situations, namely, optical trapping and photon nudging. To investigate the performance of our strategy, we calculate the mean arrival time analytically (exploiting a small-delay approximation) and by simulations.

cond-mat.stat-mech↗

arXiv2019

Heat flow due to time-delayed feedback

The thermodynamics of stochastic non-Markovian systems is still widely unexplored. We present an analytical approach for the net steady-state heat flux in nonlinear overdamped systems subject to a continuous feedback force with a discrete time delay. We show that the feedback inevitably leads to a finite heat flow even for vanishingly small delay times. Application to an exemplary (bistable) system reveals that the feedback induces heating as well as cooling regimes and leads to a maximum of the medium entropy production at coherence resonance conditions.

cond-mat.stat-mech↗

arXiv2018

Anomalous transport of magnetic colloids in a liquid crystal-magnetic colloid mixture

We report an extensive molecular dynamics study on the translational dynamics of a hybrid system composed of dipolar soft spheres (DSS), representing ferromagnetic particles, suspended in a liquid crystal (LC) matrix. We observe that the LC matrix strongly modifies the dynamics of the DSS. In the isotropic regime, the DSS show a crossover from subdiffusive to normal diffusive behavior at long times, with an increase of the subdiffusive regime as the dipolar coupling strength is increased. In the nematic regime, the LC matrix, due to collective reorientation of LC particles, imposes a cylindrical confinement on the DSS chains. This leads to a diffusive dynamics of DSS along the nematic director and a subdiffusive dynamics (with an exponent $\sim 0.5$) in the perpendicular direction. The confinement provided by the LC matrix is also reflected by oscillatory behavior of the components of the velocity autocorrelation function of the DSS in the nematic phase.

cond-mat.soft↗

arXiv2018

Clustering and phase separation of circle swimmers dispersed in a monolayer

We perform Brownian dynamics simulations in two dimensions to study the collective behavior of circle swimmers, which are driven by both, an (effective) translational and rotational self-propulsion, and interact via steric repulsion. We find that active rotation generally opposes motility-induced clustering and phase separation, as demonstrated by a narrowing of the coexistence region upon increase of the propulsion angular velocity. Moreover, although the particles are intrinsically assigned to rotate counterclockwise, a novel state of clockwise vortices emerges at an optimal value of the effective propulsion torque. We propose a simple gear-like model to capture the underlying mechanism of the clockwise vortices.

cond-mat.soft↗

arXiv2018

Asymmetric pattern formation in microswimmer suspensions induced by orienting fields

This paper studies the influence of orienting external fields on pattern formation, particularly mesoscale turbulence, in microswimmer suspensions. To this end, we apply a hydrodynamic theory that can be derived from a microscopic microswimmer model [Phys. Rev. E 97, 022613 (2018)]. The theory combines a dynamic equation for the polar order parameter with a modified Stokes equation for the solvent flow. Here, we extend the model by including an external field that exerts an aligning torque on the swimmers (mimicking the situation in chemo-, photo-, magneto- or gravitaxis). Compared to the field-free case, the external field breaks the rotational symmetry of the vortex dynamics and leads instead to strongly asymmetric, traveling stripe patterns, as demonstrated by numerical solution and linear stability analysis. We further analyze the emerging structures using a reduced model which involves only an (effective) microswimmer velocity field. This model is significantly easier to handle analytically, but still preserves the main features of the asymmetric pattern formation. We observe an underlying transition between a square vortex lattice and a traveling stripe pattern. These structures can be well described in the framework of weakly nonlinear analysis, provided the strength of nonlinear advection is sufficiently weak.

cond-mat.soft↗

arXiv2018

Time-delayed feedback control of shear-driven micellar systems

Suspensions of elongated micelles under shear display complex non-linear behaviour including shear banding, spatio-temporal oscillatory patterns and chaotic response. Based on a suitable rheological model [S. M. Fielding and P. D. Olmsted, Phys. Rev. Lett. 92, 084502 (2004)], we here explore possibilities to manipulate the dynamical behaviour via closed-loop (feedback) control involving a time delay $τ$. The model considered relates the viscoelastic stress of the system to a structural variable, that is, the length of the micelles, yielding two time- and space-dependent dynamical variables $ξ_1$, $ξ_2$. As a starting point we perform a systematic linear stability analysis of the uncontrolled system for (i) an externally imposed average shear rate and (ii) an imposed total stress, and compare the results to those from extensive numerical simulations. We then apply the so-called Pyragas feedback scheme where the equations of motion are supplemented by a control term of the form $K\left(a(t)-a(t-τ)\right)$ with $a$ being a measurable quantity depending on the rheological protocol. For the choice of an imposed shear rate, the Pyragas scheme for the total stress reduces to a non-diagonal scheme concentrating on the viscoelastic stress. Focusing on parameters close to a Hopf bifurcation, where the uncontrolled system displays oscillatory states as well as hysteresis in the shear rate controlled protocol, we demonstrate that (local) Pyragas control leads to a full stabilization to the steady state solution of the total stress, while a global control scheme does not work. In contrast, for the case of imposed total stress, global Pyragas control fully stabilizes the system. In both cases, the control does not change the space of solutions, rather it selects the steady state solutions out of the existing solutions. This underlines the non-invasive character of the Pyragas scheme.

physics.flu-dyn↗

arXiv2018

Stochastic thermodynamics of a confined colloidal suspension under shear flow

Based on Brownian dynamics simulations, we investigate the thermodynamic signatures of non-equilibrium steady states in a confined colloidal suspensions under shear flow. Specifically, we consider a thin film consisting of charged particles in narrow slit-pore confinement, forming two layers with quadratic in-plane structure in equilibrium. This many-body system displays three distinct steady states, characterized by unique dynamical and rheological response to the applied shear flow. Calculating the work and heat, we find that both quantities indicate the different states by their mean and by their distributions. A particularly interesting situation occurs at large shear rates, where the particles perform a collective zig-zag motion. Here, we find a bistability regarding the degree of phase synchronization of the particle motion. It turns out that this bistability is key to understanding the resulting ensemble-averaged work distributions. For all states, we compare the work and heat distributions to those of effective single-particle systems. By this, we aim at identifying the many-body character of the stochastic thermodynamic quantities.

cond-mat.soft↗

arXiv2018

Impact of anisotropic interactions on non-equilibrium cluster growth at surfaces

Using event-driven kinetic Monte-Carlo simulations we investigate the early stage of non-equilibrium surface growth in a generic model with anisotropic interactions among the adsorbed particles. Specifically, we consider a two-dimensional lattice model of spherical particles where the interaction anisotropy is characterized by a control parameter $η$ measuring the ratio of interaction energy along the two lattice directions. The simplicity of the model allows us to study systematically the effect and interplay between $η$, the nearest-neighbor interaction energy $E_{n}$, and the flux rate $F$, on the shapes and the fractal dimension $D_{f}$ of clusters before coalescence. At finite particle flux $F$ we observe the emergence of rod-like and needle-shaped clusters whose aspect ratio $R$ depends on $η$, $E_{n}$ and $F$. In the regime of strong interaction anisotropy, the cluster aspect ratio shows power-law scaling as function of particle flux, $R \sim F^{- α}$. Furthermore, the evolution of the cluster length and width also exhibit power-law scaling with universal growth exponents for all considered values of $F$. We identify a critical cluster length $L_{c}$ that marks a transition from one-dimensional to self-similar two-dimensional cluster growth. Moreover, we find that the cluster properties depend markedly on the critical cluster size $i^{*}$ of the isotropically interacting reference system ($η= 1$).

cond-mat.soft↗

arXiv2018

Force-linearization closure for non-Markovian Langevin systems with time delay

This paper is concerned with the Fokker-Planck (FP) description of classical stochastic systems with discrete time delay. The non-Markovian character of the corresponding Langevin dynamics naturally leads to a coupled infinite hierarchy of FP equations for the various $n$-time joint distribution functions. Here we present a novel approach to close the hierarchy at the one-time level based on a linearization of the deterministic forces in all members of the hierarchy starting from the second one. This leads to a closed equation for the one-time probability density in the steady state. Considering two generic nonlinear systems, a colloidal particle in a sinusoidal or bistable potential supplemented by a linear delay force, we demonstrate that our approach yields a very accurate representation of the density as compared to quasi-exact numerical results from direct solution of the Langevin equation. Moreover, the results are significantly improved against those from a small-delay approximation and a perturbation-theoretical approach. We also discuss the possibility of accessing transport-related quantities, such as escape times, based on an additional Kramers approximation. Our approach applies to a wide class of models with nonlinear deterministic forces.

cond-mat.stat-mech↗

arXiv2018

Derivation of a hydrodynamic theory for mesoscale dynamics in microswimmer suspensions

In this paper we systematically derive a fourth-order continuum theory capable of reproducing mesoscale turbulence in a three-dimensional suspension of microswimmers. We start from overdamped Langevin equations for a generic microscopic model (pushers or pullers), which include hydrodynamic interactions on both, small length scales (polar alignment of neighboring swimmers) and large length scales, where the solvent flow interacts with the order parameter field. The flow field is determined via the Stokes equation supplemented by an ansatz for the stress tensor. In addition to hydrodynamic interactions, we allow for nematic pair interactions stemming from excluded-volume effects. The results here substantially extend and generalize earlier findings [Phys. Rev. E 94, 020601(R) (2016)], in which we derived a two-dimensional hydrodynamic theory. From the corresponding mean-field Fokker-Planck equation combined with a self-consistent closure scheme, we derive nonlinear field equations for the polar and the nematic order parameter, involving gradient terms of up to fourth order. We find that the effective microswimmer dynamics depends on the coupling between solvent flow and orientational order. For very weak coupling corresponding to a high viscosity of the suspension, the dynamics of mesoscale turbulence can be described by a simplified model containing only an effective microswimmer velocity.

cond-mat.soft↗

arXiv2018

Laning, Thinning and Thickening of Sheared Colloids in a Two-dimensional Taylor-Couette Geometry

We investigate the dynamics and rheological properties of a circular colloidal cluster that is continuously sheared by magnetic and optical torques in a two-dimensional (2D) Taylor-Couette geometry. By varying the two driving fields, we obtain the system flow diagram and report the velocity profiles along the colloidal structure. We then use the inner magnetic trimer as a microrheometer, and observe continuous thinning of all particle layers followed by thickening of the third one above a threshold field. Experimental data are supported by Brownian dynamics simulations. Our approach gives a unique microscopic view on how the structure of strongly confined colloidal matter weakens or strengthens upon shear, envisioning the engineering of rheological devices at the microscales.

cond-mat.soft↗

arXiv2017

Nonstationary models for liquid crystals: A fresh mathematical perspective

In this article we discuss nonstationary models for inhomogeneous liquid crystals driven out of equilibrium by flow. Emphasis is put on those models which are used in the mathematics as well as in the physics literature, the overall goal being to illustrate the mathematical progress on popular models which physicists often just solve numerically. Our discussion includes the Doi--Hess model for the orientational distribution function, the $Q$-tensor model and the Ericksen--Leslie model which focuses on the director dynamics. We survey particularly the mathematical issues (such as existence of solutions) and linkages between these models. Moreover, we introduce the new concept of relative energies measuring the distance between solutions of equation systems with nonconvex energy functionals and discuss possible applications of this concept for future studies.

cond-mat.soft↗