arXiv subjects

Hartmut Löwen

Publications and source records attributed to Hartmut Löwen.

At least 271 records · Page 15Linked to original sources

arXiv2013

Compatibility waves drive crystal growth on patterned substrates

We explore the crystallization in a colloidal monolayer on a structured template starting from a few-particle nucleus. The competition between the substrate structure and that of the growing crystal induces a new crystal growth scenario. Unlike with the crystal growth in the bulk where a well-defined and connected crystal-fluid interface grows into the fluid, we identify a mechanism where a "compatibility wave" of the prescribed nucleus with the underlying substrate structure dictates the growth direction and efficiency. The growth process is strongly anisotropic and proceeds via transient island formation in front of an initial solid-fluid interface. We demonstrate the validity of this compatibility wave concept for a large class of substrate structures including a square-lattice and a quasicrystalline pattern. Dynamical density functional theory which provides a microscopic approach to the crystallization process is employed for colloidal hard spheres. Our predictions can be verified in experiments on confined colloids and also bear consequences for molecular crystal growth on structured substrates.

cond-mat.soft↗

arXiv2013

Dynamical clustering and phase separation in suspensions of self-propelled colloidal particles

We study experimentally and numerically a (quasi) two dimensional colloidal suspension of self-propelled spherical particles. The particles are carbon-coated Janus particles, which are propelled due to diffusiophoresis in a near-critical water-lutidine mixture. At low densities, we find that the driving stabilizes small clusters. At higher densities, the suspension undergoes a phase separation into large clusters and a dilute gas phase. The same qualitative behavior is observed in simulations of a minimal model for repulsive self-propelled particles lacking any alignment interactions. The observed behavior is rationalized in terms of a dynamical instability due to the self-trapping of self-propelled particles.

cond-mat.soft↗

arXiv2013

Two-dimensional melting under quenched disorder

We study the influence of quenched disorder on the two-dimensional melting behavior by using both video-microscopy of superparamagnetic colloidal particles and computer simulations of repulsive parallel dipoles. Quenched disorder is provided by pinning a fraction of the particles. We confirm the occurrence of the Kosterlitz-Thouless-Halperin-Nelson-Young scenario with an intermediate hexatic phase. While the fluid-hexatic transition remains largely unaffected by disorder, the hexatic-solid transition shifts towards lower temperatures for increasing disorder resulting in a significantly broadened stability range of the hexatic phase. In addition, we observe spatio-temporal critical(-like) fluctuations consistent with the continuous character of the phase transitions.

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

Vacancy diffusion in colloidal crystals as determined by dynamical density-functional theory and the phase-field-crystal model

A two-dimensional crystal of repulsive dipolar particles is studied in the vicinity of its melting transition by using Brownian dynamics computer simulation, dynamical density functional theory and phase-field crystal modelling. A vacancy is created by taking out a particle from an equilibrated crystal and the relaxation dynamics of the vacancy is followed by monitoring the time-dependent one-particle density. We find that the vacancy is quickly filled up by diffusive hopping of neighbouring particles towards the vacancy center. We examine the temperature dependence of the diffusion constant and find that it decreases with decreasing temperature in the simulations. This trend is reproduced by the dynamical density functional theory. Conversely, the phase field crystal calculations predict the opposite trend. Therefore, the phase-field model needs a temperature-dependent expression for the mobility to predict trends correctly.

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

Packing Confined Hard Spheres Denser with Adaptive Prism Phases

We show that hard spheres confined between two parallel hard plates pack denser with periodic adaptive prismatic structures which are composed of alternating prisms of spheres. The internal structure of the prisms adapts to the slit height which results in close packings for a range of plate separations, just above the distance where three intersecting square layers fit exactly between the plates. The adaptive prism phases are also observed in real-space experiments on confined sterically stabilized colloids and in Monte Carlo simulations at finite pressure.

cond-mat.soft↗

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

Traveling and resting crystals in active systems

A microscopic field theory for crystallization in active systems is proposed which unifies the phase-field-crystal model of freezing with the Toner-Tu theory for self-propelled particles. A wealth of different active crystalline states are predicted and characterized. In particular, for increasing strength of self-propulsion, a transition from a resting crystal to a traveling crystalline state is found where the particles migrate collectively while keeping their crystalline order. Our predictions, which are verifiable in experiments and in particle-resolved computer simulations, provide a starting point for the design of new active materials.

cond-mat.soft↗

arXiv2012

Meso-scale turbulence in living fluids

Turbulence is ubiquitous, from oceanic currents to small-scale biological and quantum systems. Self-sustained turbulent motion in microbial suspensions presents an intriguing example of collective dynamical behavior amongst the simplest forms of life, and is important for fluid mixing and molecular transport on the microscale. The mathematical characterization of turbulence phenomena in active non-equilibrium fluids proves even more difficult than for conventional liquids or gases. It is not known which features of turbulent phases in living matter are universal or system-specific, or which generalizations of the Navier-Stokes equations are able to describe them adequately. Here, we combine experiments, particle simulations, and continuum theory to identify the statistical properties of self-sustained meso-scale turbulence in active systems. To study how dimensionality and boundary conditions affect collective bacterial dynamics, we measured energy spectra and structure functions in dense Bacillus subtilis suspensions in quasi-2D and 3D geometries. Our experimental results for the bacterial flow statistics agree well with predictions from a minimal model for self-propelled rods, suggesting that at high concentrations the collective motion of the bacteria is dominated by short-range interactions. To provide a basis for future theoretical studies, we propose a minimal continuum model for incompressible bacterial flow. A detailed numerical analysis of the 2D case shows that this theory can reproduce many of the experimentally observed features of self-sustained active turbulence.

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↗

arXiv2012

Tension and stiffness of the hard sphere crystal-fluid interface

A combination of fundamental measure density functional theory and Monte Carlo computer simulation is used to determine the orientation-resolved interfacial tension and stiffness for the equilibrium hard-sphere crystal-fluid interface. Microscopic density functional theory is in quantitative agreement with simulations and predicts a tension of 0.66 kT/σ^2 with a small anisotropy of about 0.025 kT and stiffnesses with e.g. 0.53 kT/σ^2 for the (001) orientation and 1.03 kT/σ^2 for the (111) orientation. Here kT is denoting the thermal energy and σthe hard sphere diameter. We compare our results with existing experimental findings.

cond-mat.soft↗

arXiv2012

Freezing of parallel hard cubes with rounded edges

The freezing transition in a classical three-dimensional system of parallel hard cubes with rounded edges is studied by computer simulation and fundamental-measure density functional theory. By switching the rounding parameter s from zero to one, one can smoothly interpolate between cubes with sharp edges and hard spheres. The equilibrium phase diagram of rounded parallel hard cubes is computed as a function of their volume fraction and the rounding parameter s. The second order freezing transition known for oriented cubes at s = 0 is found to be persistent up to s = 0.65. The fluid freezes into a simple-cubic crystal which exhibits a large vacancy concentration. Upon a further increase of s, the continuous freezing is replaced by a first-order transition into either a sheared simple cubic lattice or a deformed face-centered cubic lattice with two possible unit cells: body-centered orthorhombic or base-centered monoclinic. In principle, a system of parallel cubes could be realized in experiments on colloids using advanced synthesis techniques and a combination of external fields.

cond-mat.soft↗

arXiv2011

Soft repulsive mixtures under gravity: brazil-nut effect, depletion bubbles, boundary layering, nonequilibrium shaking

A binary mixture of particles interacting via long-ranged repulsive forces is studied in gravity by computer simulation and theory. The more repulsive A-particles create a depletion zone of less repulsive B-particles around them reminiscent to a bubble. Applying Archimedes' principle effectively to this bubble, an A-particle can be lifted in a fluid background of B-particles. This "depletion bubble" mechanism explains and predicts a brazil-nut effect where the heavier A-particles float on top of the lighter B-particles. It also implies an effective attraction of an A-particle towards a hard container bottom wall which leads to boundary layering of A-particles. Additionally, we have studied a periodic inversion of gravity causing perpetual mutual penetration of the mixture in a slit geometry. In this nonequilibrium case of time-dependent gravity, the boundary layering persists. Our results are based on computer simulations and density functional theory of a two-dimensional binary mixture of colloidal repulsive dipoles. The predicted effects also occur for other long-ranged repulsive interactions and in three spatial dimensions. They are therefore verifiable in settling experiments on dipolar or charged colloidal mixtures as well as in charged granulates and dusty plasmas.

cond-mat.soft↗

arXiv2011

Crystallization in a dense suspension of self-propelled particles

Using Brownian dynamics computer simulations we show that a two-dimensional suspension of self-propelled ("active") colloidal particles crystallizes at sufficiently high densities. Compared to the equilibrium freezing of passive particles the freezing density is both significantly shifted and depends on the structural or dynamical criterion employed. In non-equilibrium the transition is accompanied by pronounced structural heterogeneities. This leads to a transition region between liquid and solid in which the suspension is globally ordered but unordered liquid-like "bubbles" still persist.

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↗