arXiv subjects

Raphael Wittkowski

Publications and source records attributed to Raphael Wittkowski.

At least 73 records · Page 4Linked to original sources

arXiv2016

Hard rectangles near curved hard walls: tuning the sign of the Tolman length

Combining analytic calculations, computer simulations, and classical density functional theory we determine the interfacial tension of orientable two-dimensional hard rectangles near a curved hard wall. Both a circular cavity holding the particles and a hard circular obstacle surrounded by particles are considered. We focus on moderate bulk densities (corresponding to area fractions up to 50 percent) where the bulk phase is isotropic and vary the aspect ratio of the rectangles and the curvature of the wall. The Tolman length, which gives the leading curvature correction of the interfacial tension, is found to change sign at a finite density, which can be tuned via the aspect ratio of the rectangles.

cond-mat.soft↗

arXiv2015

Symmetry-breaking in clogging for oppositely driven particles

The clogging behavior of a symmetric binary mixture of particles that are driven in opposite directions through constrictions is explored by Brownian dynamics simulations and theory. A dynamical state with a spontaneously broken symmetry occurs where one species is flowing and the other is blocked for a long time which can be tailored by the size of the constrictions. Moreover, we find self-organized oscillations in clogging and unclogging of the two species. Apart from statistical physics, our results are of relevance for fields like biology, chemistry, and crowd management, where ions, microparticles, pedestrians, or other particles are driven in opposite directions through constrictions.

cond-mat.soft↗

arXiv2015

Active Model H: Scalar Active Matter in a Momentum-Conserving Fluid

We present a continuum theory of self-propelled particles, without alignment interactions, in a momentum-conserving solvent. To address phase separation we introduce a scalar concentration field $ϕ$ with advective-diffusive dynamics. Activity creates a contribution $Σ_{ij}=-ζ((\partial_iϕ)(\partial_jϕ)-(\nablaϕ)^{2}δ_{ij}/d)$ to the deviatoric stress, where $ζ$ is odd under time reversal and $d$ is the number of spatial dimensions; this causes an effective interfacial tension contribution that is negative for contractile swimmers. We predict that domain growth then ceases at a length scale where diffusive coarsening is balanced by active stretching of interfaces, and confirm this numerically. Thus the interplay of activity and hydrodynamics is highly nontrivial, even without alignment interactions.

cond-mat.soft↗

arXiv2015

Gravitaxis of asymmetric self-propelled colloidal particles

Many motile microorganisms adjust their swimming motion relative to the gravitational field and thus counteract sedimentation to the ground. This gravitactic behavior is often the result of an inhomogeneous mass distribution which aligns the microorganism similar to a buoy. However, it has been suggested that gravitaxis can also result from a geometric fore-rear asymmetry, typical for many self-propelling organisms. Despite several attempts, no conclusive evidence for such an asymmetry-induced gravitactic motion exists. Here, we study the motion of asymmetric self-propelled colloidal particles which have a homogeneous mass density and a well-defined shape. In experiments and by theoretical modeling we demonstrate that a shape anisotropy alone is sufficient to induce gravitactic motion with either preferential upward or downward swimming. In addition, also trochoid-like trajectories transversal to the direction of gravity are observed.

cond-mat.soft↗

arXiv2015

Activity-induced phase separation and self-assembly in mixtures of active and passive particles

We investigate the phase behavior and kinetics of a monodisperse mixture of active (\textit{i.e.}, self-propelled) and passive isometric Brownian particles through Brownian dynamics simulations and theory. As in a purely active system, motility of the active component triggers phase separation into a dense and a dilute phase; in the dense phase we further find active-passive segregation, with "rafts" of passive particles in a "sea" of active particles. We find that phase separation from an initially disordered mixture can occur with as little as 15 percent of the particles being active. Finally, we show that a system prepared in a suitable fully segregated initial state reproducibly self-assembles an active "corona" which triggers crystallization of the passive core by initiating a compression wave. Our findings are relevant to the experimental pursuit of directed self-assembly using active particles.

cond-mat.soft↗

arXiv2014

Can the self-propulsion of anisotropic microswimmers be described by using forces and torques?

The self-propulsion of artificial and biological microswimmers (i.e., active colloidal particles) has often been modelled by using a force and a torque entering into the overdamped equations for the Brownian motion of passive particles. This seemingly contradicts the fact that a swimmer is force-free and torque-free, i.e., that the net force and torque on the particle vanish. Using different models for mechanical and diffusiophoretic self-propulsion, we demonstrate here that the equations of motion of microswimmers can be mapped onto those of passive particles with the shape-dependent grand resistance matrix and formally external effective forces and torques. This is consistent with experimental findings on the circular motion of artificial asymmetric microswimmers driven by self-diffusiophoresis. The concept of effective self-propulsion forces and torques significantly facilitates the understanding of the swimming paths, e.g., for a microswimmer under gravity. However, this concept has its limitations when the self-propulsion mechanism of a swimmer is disturbed either by another particle in its close vicinity or by interactions with obstacles, such as a wall.

cond-mat.soft↗

arXiv2014

Reply to Comment on "Circular Motion of Asymmetric Self-Propelling Particles"

In a Comment [Phys. Rev. Lett. 113, 029801 (2014)] on our Letter on self-propelled asymmetric particles [Phys. Rev. Lett. 110, 198302 (2013); arXiv:1302.5787], Felderhof claims that our theory based on Langevin equations would be conceptually wrong. In this Reply we show that our theory is appropriate, consistent, and physically justified.

cond-mat.soft↗

arXiv2014

Scalar $ϕ^4$ field theory for active-particle phase separation

Recent theories predict phase separation among orientationally disordered active particles whose propulsion speed decreases rapidly enough with density. Coarse-grained models of this process show time-reversal symmetry (detailed balance) to be restored for uniform states, but broken by gradient terms; hence detailed-balance violation is strongly coupled to interfacial phenomena. To explore the subtle generic physics resulting from such coupling we here introduce `Active Model B'. This is a scalar $ϕ^4$ field theory (or phase-field model) that minimally violates detailed balance via a leading-order square-gradient term. We find that this additional term has modest effects on coarsening dynamics, but alters the static phase diagram by creating a jump in (thermodynamic) pressure across flat interfaces. Both results are surprising, since interfacial phenomena are always strongly implicated in coarsening dynamics but are, in detailed-balance systems, irrelevant for phase equilibria.

cond-mat.soft↗

arXiv2014

Brownian motion and the hydrodynamic friction tensor for colloidal particles of complex shape

We synthesize colloidal particles with various anisotropic shapes and track their orientationally resolved Brownian trajectories using confocal microscopy. An analysis of appropriate short-time correlation functions provides direct access to the hydrodynamic friction tensor of the particles revealing nontrivial couplings between the translational and rotational degrees of freedom. The results are consistent with calculations of the hydrodynamic friction tensor in the low-Reynolds-number regime for the experimentally determined particle shapes.

cond-mat.soft↗

arXiv2013

Differently Shaped Hard Body Colloids in Confinement: From passive to active particles

We review recent progress in the theoretical description of anisotropic hard colloidal particles. The shapes considered range from rods and dumbbells to rounded cubes, polyhedra and to biaxial particles with arbitrary shape. Our focus is on both static and dynamical density functional theory and on computer simulations. We describe recent results for the structure, dynamics and phase behaviour in the bulk and in various confining geometries, e.g. established by two parallel walls which reduce the dimensionality of the system to two dimensions. We also include recent theoretical modelling for active particles, which are autonomously driven by some intrinsic motor, and highlight their fascinating nonequilibrium dynamics and collective behaviour.

cond-mat.soft↗

arXiv2013

Dynamics of a deformable active particle under shear flow

The motion of a deformable active particle in linear shear flow is explored theoretically. Based on symmetry considerations, in two spatial dimensions, we propose coupled nonlinear dynamical equations for the particle position, velocity, deformation, and rotation. In our model, both, passive rotations induced by the shear flow as well as active spinning motions, are taken into account. Our equations reduce to known models in the two limits of vanishing shear flow and vanishing particle deformability. For varied shear rate and particle propulsion speed, we solve the equations numerically and obtain a manifold of different dynamical modes including active straight motion, periodic motions, motions on undulated cycloids, winding motions, as well as quasi-periodic and chaotic motions induced at high shear rates. The types of motion are distinguished by different characteristics in the real-space trajectories and in the dynamical behavior of the particle orientation and its deformation. Our predictions can be verified in experiments on self-propelled droplets exposed to a linear shear flow.

cond-mat.soft↗

arXiv2013

Circular motion of asymmetric self-propelling particles

Micron-sized self-propelled (active) particles can be considered as model systems for characterizing more complex biological organisms like swimming bacteria or motile cells. We produce asymmetric microswimmers by soft lithography and study their circular motion on a substrate and near channel boundaries. Our experimental observations are in full agreement with a theory of Brownian dynamics for asymmetric self-propelled particles, which couples their translational and orientational motion.

cond-mat.soft↗

arXiv2013

Structure and dynamics of interfaces between two coexisting liquid crystalline phases

The phase-field-crystal model is used to access the structure and thermodynamics of interfaces between two coexisting liquid crystalline phases in two spatial dimensions. Depending on the model parameters there is a variety of possible coexistences between two liquid crystalline phases including a plastic triangular crystal (PTC). Here, we calculate numerically the profiles for the mean density and the nematic order tensor across the interface for isotropic-PTC and columnar-PTC respectively smectic A-PTC coexistence. As a general finding, the width of the interface with respect to the nematic order parameter characterizing the orientational order is larger than the width of the mean density interface. In approaching the interface from the PTC side, at first the mean density goes down and then the nematic order parameter follows. The relative shift of the two profiles can be larger than a full lattice constant of the plastic crystal. Finally, we also present numerical results for the dynamic relaxation of an initial order-parameter profile towards its equilibrium interfacial profile. Our predictions for the interfacial profiles can in principle be verified in real-space experiments of colloidal dispersions.

cond-mat.soft↗

arXiv2012

Microscopic approach to entropy production

It is a great challenge of nonequilibrium statistical mechanics to calculate entropy production within a microscopic theory. In the framework of linear irreversible thermodynamics, we combine the Mori-Zwanzig-Forster projection operator technique with the first and second law of thermodynamics to obtain microscopic expressions for the entropy production as well as for the transport equations of the entropy density and its time correlation function. We further present a microscopic derivation of a dissipation functional from which the dissipative dynamics of an extended dynamical density functional theory can be obtained in a formally elegant way.

cond-mat.stat-mech↗

arXiv2012

Extended dynamical density functional theory for colloidal mixtures with temperature gradients

In the past decade, classical dynamical density functional theory (DDFT) has been developed and widely applied to the Brownian dynamics of interacting colloidal particles. One of the possible derivation routes of DDFT from the microscopic dynamics is via the Mori-Zwanzig-Forster projection operator technique with slowly varying variables such as the one-particle density. Here, we use the projection operator approach to extend DDFT into various directions: first, we generalize DDFT toward mixtures of $n$ different species of spherical colloidal particles. We show that there are in general nontrivial cross-coupling terms between the concentration fields and specify them explicitly for colloidal mixtures with pairwise hydrodynamic interactions. Secondly, we treat the energy density as an additional slow variable and derive formal expressions for an extended DDFT containing also the energy density. The latter approach can in principle be applied to colloidal dynamics in a nonzero temperature gradient. For the case without hydrodynamic interactions the diffusion tensor is diagonal, while thermodiffusion -- the dissipative cross-coupling term between energy density and concentration -- is nonzero in this limit. With finite hydrodynamic interactions also cross-diffusion coefficients assume a finite value. We demonstrate that our results for the extended DDFT contain the transport coefficients in the hydrodynamic limit (long wavelengths, low frequencies) as a special case.

cond-mat.soft↗

arXiv2012

Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC method operates on atomic length and diffusive time scales, and thus constitutes a computationally efficient alternative to molecular simulation methods. Its intense development in materials science started fairly recently following the work by Elder et al. [Phys. Rev. Lett. 88 (2002), p. 245701]. Since these initial studies, dynamical density functional theory and thermodynamic concepts have been linked to the PFC approach to serve as further theoretical fundaments for the latter. In this review, we summarize these methodological development steps as well as the most important applications of the PFC method with a special focus on the interaction of development steps taken in hard and soft matter physics, respectively. Doing so, we hope to present today's state of the art in PFC modelling as well as the potential, which might still arise from this method in physics and materials science in the nearby future.

cond-mat.soft↗

arXiv2011

The self-propelled Brownian spinning top: dynamics of a biaxial swimmer at low Reynolds numbers

Recently, the Brownian dynamics of self-propelled (active) rod-like particles was explored to model the motion of colloidal microswimmers, catalytically-driven nanorods, and bacteria. Here, we generalize this description to biaxial particles with arbitrary shape and derive the corresponding Langevin equation for a self-propelled Brownian spinning top. The biaxial swimmer is exposed to a hydrodynamic Stokes friction force at low Reynolds numbers, to fluctuating random forces and torques as well as to an external and an internal (effective) force and torque. The latter quantities control its self-propulsion. Due to biaxiality and hydrodynamic translational-rotational coupling, the Langevin equation can only be solved numerically. In the special case of an orthotropic particle in the absence of external forces and torques, the noise-free (zero-temperature) trajectory is analytically found to be a circular helix. This trajectory is confirmed numerically to be more complex in the general case involving a transient irregular motion before ending up in a simple periodic motion. By contrast, if the external force vanishes, no transient regime is found and the particle moves on a superhelical trajectory. For orthotropic particles, the noise-averaged trajectory is a generalized concho-spiral. We furthermore study the reduction of the model to two spatial dimensions and classify the noise-free trajectories completely finding circles, straight lines with and without transients, as well as cycloids and arbitrary periodic trajectories.

cond-mat.soft↗

arXiv2011

Microscopic and macroscopic theories for the dynamics of polar liquid crystals

We derive and analyze the dynamic equations for polar liquid crystals in two spatial dimensions in the framework of classical dynamical density functional theory (DDFT). Translational density variations, polarization, and quadrupolar order are used as order-parameter fields. The results are critically compared with those obtained using the macroscopic approach of time-dependent Ginzburg-Landau (GL) equations for the analogous order-parameter fields. We demonstrate that for both the microscopic DDFT and the macroscopic GL approach the resulting dissipative dynamics can be derived from a dissipation function. We obtain microscopic expressions for all diagonal contributions and for many of the cross-coupling terms emerging from a GL approach. Thus we establish a bridge between molecular correlations and macroscopic modeling for the dissipative dynamics of polar liquid crystals.

cond-mat.soft↗