arXiv subjects

Hartmut Löwen

Publications and source records attributed to Hartmut Löwen.

At least 145 records · Page 8Linked to original sources

arXiv2021

Particle-resolved topological defects of smectic colloidal liquid crystals in extreme confinement

Confined samples of liquid crystals are characterized by a variety of topological defects and can be exposed to external constraints such as extreme confinements with nontrivial topology. Here we explore the intrinsic structure of smectic colloidal layers dictated by the interplay between entropy and an imposed external topology. Considering an annular confinement as a basic example, a plethora of competing states is found with nontrivial defect structures ranging from laminar states to multiple smectic domains and arrays of edge dislocations which we refer to as Shubnikov states in formal analogy to the characteristic of type-II superconductors. Our particle-resolved results, gained by a combination of real-space microscopy of thermal colloidal rods and fundamental-measure-based density functional theory of hard anisotropic bodies, agree on a quantitative level.

cond-mat.soft↗

arXiv2021

Interface-induced hysteretic volume phase transition of microgels: simulation and experiment

Thermo-responsive microgel particles can exhibit a drastic volume shrinkage upon increasing the solvent temperature. Recently we found that the spreading of poly(N-isopropylacrylamide)(PNiPAm) microgels at a liquid interface under the influence of surface tension hinders the temperature-induced volume phase transition. In addition, we observed a hysteresis behavior upon temperature cycling, i.e. a different evolution in microgel size and shape depending on whether the microgel was initially adsorbed to the interface in expanded or collapsed state. Here, we model the volume phase transition of such microgels at an air/water interface by monomer-resolved Brownian dynamics simulations and compare the observed behavior with experiments. We reproduce the experimentally observed hysteresis in the microgel dimensions upon temperature variation. Our simulations did not observe any hysteresis for microgels dispersed in the bulk liquid, suggesting that it results from the distinct interfacial morphology of the microgel adsorbed at the liquid interface. An initially collapsed microgel brought to the interface and subjected to subsequent swelling and collapsing (resp. cooling and heating) will end up in a larger size than it had in the original collapsed state. Further temperature cycling, however, only shows a much reduced hysteresis, in agreement with our experimental observations. We attribute the hysteretic behavior to a kinetically trapped initial collapsed configuration, which relaxes upon expanding in the swollen state. We find a similar behavior for linear PNiPAm chains adsorbed to an interface. Our combined experimental - simulation investigation provides new insights into the volume phase transition of PNiPAm materials adsorbed to liquid interfaces.

cond-mat.soft↗

arXiv2021

Order-preserving dynamics in one dimension -- single-file diffusion and caging from the perspective of dynamical density functional theory

Dynamical density functional theory (DDFT) is a powerful variational framework to study the nonequilibrium properties of colloids by only considering a time-dependent one-body number density. Despite the large number of recent successes, properly modeling the long-time dynamics in interacting systems within DDFT remains a notoriously difficult problem, since structural information, accounting for temporary or permanent particle cages, gets lost. Here we address such a caging scenario by reducing it to a clean one-dimensional problem, where the particles are naturally ordered (arranged on a line) by perfect cages created by their two next neighbors. In particular, we construct a DDFT approximation based on an equilibrium system with an asymmetric pair potential, such that the corresponding one-body densities still carry the footprint of particle order. Applied to a system of confined hard rods, this order-preserving dynamics (OPD) yields exact results at the system boundaries, in addition to the imprinted correct long-time behavior of density profiles representing individual particles. In an open system, our approach correctly reproduces the reduced long-time diffusion coefficient and subdiffusion, characteristic for a single-file setup. These observations cannot be made using current forms of DDFT without particle order.

cond-mat.soft↗

arXiv2020

Flexible confinement leads to multiple relaxation regimes in glassy colloidal liquids

Understanding relaxation of supercooled fluids is a major challenge and confining such systems can lead to bewildering behaviour. Here we exploit an optically confined colloidal model system in which we use reduced pressure as a control parameter. The dynamics of the system are ``Arrhenius'' at low and moderate pressure, but at higher pressures relaxation is faster than expected. We associate this faster relaxation with a decrease in density adjacent to the confining boundary due to local ordering in the system enabled by the flexible wall.

cond-mat.soft↗

arXiv2020

Dynamical Crystallites of Active Chiral Particles

One of the intrinsic characteristics of far-from-equilibrium systems is the nonrelaxational nature of the system dynamics, which leads to novel properties that cannot be understood and described by conventional pathways based on thermodynamic potentials. Of particular interest are the formation and evolution of ordered patterns composed of active particles that exhibit collective behavior. Here we examine such a type of nonpotential active system, focusing on effects of coupling and competition between chiral particle self-propulsion and self-spinning. It leads to the transition between three bulk dynamical regimes dominated by collective translative motion, spinning-induced structural arrest, and dynamical frustration. In addition, a persistently dynamical state of self-rotating crystallites is identified as a result of a localized-delocalized transition induced by the crystal-melt interface. The mechanism for the breaking of localized bulk states can also be utilized to achieve self-shearing or self-flow of active crystalline layers.

cond-mat.soft↗

arXiv2020

Classical dynamical density functional theory: from fundamentals to applications

Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern statistical mechanics. It is an extension of the highly successful method of classical density functional theory (DFT) to nonequilibrium systems. Originally developed for the treatment of simple and complex fluids, DDFT is now applied in fields as diverse as hydrodynamics, materials science, chemistry, biology, and plasma physics. In this review, we give a broad overview over classical DDFT. We explain its theoretical foundations and the ways in which it can be derived. The relations between the different forms of deterministic and stochastic DDFT as well as between DDFT and related theories, such as quantum-mechanical time-dependent DFT, mode coupling theory, and phase field crystal models, are clarified. Moreover, we discuss the wide spectrum of extensions of DDFT, which covers methods with additional order parameters (like extended DDFT), exact approaches (like power functional theory), and systems with more complex dynamics (like active matter). Finally, the large variety of applications, ranging from fluid mechanics and polymer physics to solidification, pattern formation, biophysics, and electrochemistry, is presented.

cond-mat.soft↗

arXiv2020

Climbing two hills is faster than one: collective barrier-crossing by colloids driven through a microchannel

Ohm's law is one of the most central transport rules stating that the total resistance of sequential single resistances is additive. While this rule is most commonly applied to electronic circuits, it also applies to other transport phenomena such as the flow of colloids or nanoparticles through channels containing multiple obstacles, as long as these obstacles are sufficiently far apart. Here we explore the breakdown of Ohm's law for fluids of repulsive colloids driven over two energetic barriers in a microchannel, using real-space microscopy experiments, particle-resolved simulations, and dynamical density functional theory. If the barrier separation is comparable to the particle correlation length, the resistance is highly non-additive, such that the resistance added by the second barrier can be significantly higher or lower than that of the first. Surprisingly, in some cases the second barrier can even add a {\it negative} resistance, such that two identical barriers are easier to cross than a single one. We explain this counterintuitive observation in terms of the structuring of particles trapped between the barriers.

cond-mat.soft↗

arXiv2020

Towards an analytical description of active microswimmers in clean and in surfactant-covered drops

Geometric confinements are frequently encountered in the biological world and strongly affect the stability, topology, and transport properties of active suspensions in viscous flow. Based on a far-field analytical model, the low-Reynolds-number locomotion of a self-propelled microswimmer moving inside a clean viscous drop or a drop covered with a homogeneously distributed surfactant, is theoretically examined. The interfacial viscous stresses induced by the surfactant are described by the well-established Boussinesq-Scriven constitutive rheological model. Moreover, the active agent is represented by a force dipole and the resulting fluid-mediated hydrodynamic couplings between the swimmer and the confining drop are investigated. We find that the presence of the surfactant significantly alters the dynamics of the encapsulated swimmer by enhancing its reorientation. Exact solutions for the velocity images for the Stokeslet and dipolar flow singularities inside the drop are introduced and expressed in terms of infinite series of harmonic components. Our results offer useful insights into guiding principles for the control of confined active matter systems and support the objective of utilizing synthetic microswimmers to drive drops for targeted drug delivery applications.

physics.flu-dyn↗

arXiv2020

Strategic Spatiotemporal Vaccine Distribution Increases the Survival Rate in an Infectious Disease like Covid-19

Covid-19 has caused hundred of thousands of deaths and an economic damage amounting to trillions of dollars, creating a desire for the rapid development of vaccine. Once available, vaccine is gradually produced, evoking the question on how to distribute it best. While official vaccination guidelines largely focus on the question to whom vaccines should be provided first (e.g. to risk groups), here we propose a strategy for their distribution in time and space, which sequentially prioritizes regions with a high local infection growth rate. To demonstrate this strategy, we develop a simple statistical model describing the time-evolution of infection patterns and their response to vaccination, for infectious diseases like Covid-19. For inhomogeneous infection patterns, locally well-mixed populations and basic reproduction numbers $R_0\sim 1.5-4$ the proposed strategy at least halves the number of deaths in our simulations compared to the standard practice of distributing vaccines proportionally to the population density. For $R_0\sim 1$ we still find a significant increase of the survival rate. The proposed vaccine distribution strategy can be further tested in detailed modelling works and could excite discussions on the importance of the spatiotemporal distribution of vaccines for official guidelines.

q-bio.PE↗

arXiv2020

Axisymmetric Stokes flow due to a point-force singularity acting between two coaxially positioned rigid no-slip disks

We investigate theoretically on the basis of the steady Stokes equations for a viscous incompressible fluid the flow induced by a Stokeslet located on the centre axis of two coaxially positioned rigid disks. The Stokeslet is directed along the centre axis. No-slip boundary conditions are assumed to hold at the surfaces of the disks. We perform the calculation of the associated Green's function in large parts analytically, reducing the spatial evaluation of the flow field to one-dimensional integrations amenable to numerical treatment. To this end, we formulate the solution of the hydrodynamic problem for the viscous flow surrounding the two disks as a mixed-boundary-value problem, which we then reduce into a system of four dual integral equations. We show the existence of viscous toroidal eddies arising in the fluid domain bounded by the two disks, manifested in the plane containing the centre axis through adjacent counterrotating eddies. Additionally, we probe the effect of the confining disks on the slow dynamics of a point-like particle by evaluating the hydrodynamic mobility function associated with axial motion. Thereupon, we assess the appropriateness of the commonly-employed superposition approximation and discuss its validity and applicability as a function of the geometrical properties of the system. Additionally, we complement our semi-analytical approach by finite-element computer simulations, which reveals a good agreement. Our results may find applications in guiding the design of microparticle-based sensing devices and electrokinetic transport in small scale capacitors.

cond-mat.soft↗

arXiv2020

Persistent anti-correlations in Brownian dynamics simulations of dense colloidal suspensions revealed by noise suppression

Transport properties of a hard-sphere colloidal fluid are investigated by Brownian dynamics simulations. We implement a novel algorithm for the time-dependent velocity-autocorrelation function (VACF) essentially eliminating the noise of the bare random motion. The measured VACF reveals persistent anti-correlations manifested by a negative algebraic power-law tail $t^{-5/2}$ at all densities. At small packing fractions, the simulations fully agree with the analytic low-density prediction, yet the amplitude of the tail becomes dramatically suppressed as the packing fraction is increased. The mode-coupling theory of the glass transition provides a qualitative explanation for the strong variation in terms of the static compressibility as well as the slowing down of the structural relaxation.

cond-mat.soft↗

arXiv2020

Rototaxis: localization of active motion under rotation

The ability to navigate in complex, inhomogeneous environments is fundamental to survival at all length scales, giving rise to the rapid development of various subfields in bio-locomotion such as the well established concept of chemotaxis. In this work, we extend this existing notion of taxis to rotating environments and introduce the idea of roto-taxis to bio-locomotion. In particular, we explore both overdamped and inertial dynamics of a model synthetic self-propelled particle in the presence of constant global rotation, focusing on the particle's ability to localize near a rotation center as a survival strategy. We find that in the overdamped regime, the swimmer is in general able to generate a self restoring active torque that enables it to remain on stable epicyclical-like trajectories. On the other hand, for underdamped motion with inertial effects, the intricate competition between self-propulsion and inertial forces, in conjunction with the rototactic torque leads to complex dynamical behavior with non-trivial phase space of initial conditions which we reveal by numerical simulations. Our results are relevant for a wide range of setups, from vibrated granular matter on turntables to microorganisms or animals swimming near swirls or vortices.

cond-mat.soft↗

arXiv2020

Dynamics of a microswimmer-microplatelet composite

Guiding active microswimmers by external fields to requested target locations is a promising strategy to realize complex transport on the microscale. To this end, one possibility consists of attaching the microswimmers to orientable passive components. Accordingly, we analyze theoretically, using a minimal model, the dynamics of a microswimmer when rigidly attached tangentially to a (significantly larger) microplatelet, here represented by a thin circular disk. On this way, we determine the flow field in the whole space induced by a Stokeslet that is located above the center of a spatially fixed rigid disk of no-slip surface conditions. Finally, we determine and analyze possible trajectories of the overall composite. To this end, the platelet is additionally endowed with a permanent magnetic moment, which allows to steer the motion of the whole composite by a homogeneous external magnetic field. As previous experimental studies suggest, related setups may be helpful to guide sperm cells to requested targets or for the purpose of coordinated drug delivery.

physics.flu-dyn↗

arXiv2019

Properties of surface Landau-de Gennes Q-tensor models

Uniaxial nematic liquid crystals whose molecular orientation is subjected to a tangential anchoring on a curved surface offer a non trivial interplay between the geometry and the topology of the surface and the orientational degree of freedom. We consider a general thin film limit of a Landau-de Gennes Q-tensor model which retains the characteristics of the 3D model. From this, previously proposed surface models follow as special cases. We compare fundamental properties, such as alignment of the orientational degrees of freedom with principle curvature lines, order parameter symmetry and phase transition type for these models, and suggest experiments to identify proper model assumptions.

cond-mat.soft↗

arXiv2019

Active rotational dynamics of a self-diffusiophoretic colloidal motor

The dynamics of a spherical chemically-powered synthetic colloidal motor that operates by a self-diffusiophoretic mechanism and has a catalytic domain of arbitrary shape is studied using both continuum theory and particle-based simulations. The motor executes active rotational motion when self-generated concentration gradients and interactions between the chemical species and colloidal motor surface break spherical symmetry. Local variations of chemical reaction rates on the motor catalytic surface with catalytic domain sizes and shapes provide such broken symmetry conditions. A continuum theoretical description of the active rotational motion is given, along with the results of particle-based simulations of the active dynamics. From these results a detailed description of the factors responsible for the active rotational dynamics can be given. Since active rotational motion often plays a significant part in the nature of the collective dynamics of many-motor systems and can be used to control motor motion in targeted cargo transport, our results should find applications beyond those considered here.

cond-mat.soft↗

arXiv2019

Active Brownian motion with orientation-dependent motility: theory and experiments

Combining experiments on active colloids, whose propulsion velocity can be controlled via a feedback loop, and theory of active Brownian motion, we explore the dynamics of an overdamped active particle with a motility that depends explicitly on the particle orientation. In this case, the active particle moves faster when oriented along one direction and slower when oriented along another, leading to an anisotropic translational dynamics which is coupled to the particle's rotational diffusion. We propose a basic model of active Brownian motion for orientation-dependent motility. Based on this model, we obtain analytic results for the mean trajectories, averaged over the Brownian noise for various initial configurations, and for the mean-square displacements including their anisotropic non-Gaussian behavior. The theoretical results are found to be in good agreement with the experimental data. Our findings establish a methodology to engineer complex anisotropic motilities of active Brownian particles, with potential impact in the study of the swimming behavior of microorganisms subjected to anisotropic driving fields.

cond-mat.soft↗

arXiv2019

Inertial effects of self-propelled particles: from active Brownian to active Langevin motion

Active particles which are self-propelled by converting energy into mechanical motion represent an expanding research realm in physics and chemistry. For micron-sized particles moving in a liquid ("microswimmers"), most of the basic features have been described by using the model of overdamped active Brownian motion. However, for macroscopic particles or microparticles moving in a gas, inertial effects become relevant such that the dynamics is underdamped. Therefore, recently, active particles with inertia have been described by extending the active Brownian motion model to active Langevin dynamics which include inertia. In this perspective article recent developments of active particles with inertia ("microflyers") are summarized both for single particle properties and for collective effects of many particles. There include: inertial delay effects between particle velocity and self-propulsion direction, tuning of the long-time self-diffusion by the moment of inertia, effects of fictitious forces in non-inertial frames, and the influence of inertia on motility-induced phase separation. Possible future developments and perspectives are also proposed and discussed.

cond-mat.soft↗

arXiv2019

Swarm Hunting and Clusters Turning Inside Out in Chemically Communicating Active Mixtures

A large variety of microorganisms produce molecules to communicate via complex signaling mechanisms such as quorum sensing and chemotaxis. The biological diversity is enormous, but synthetic inanimate colloidal microswimmers mimic microbiological communication (synthetic chemotaxis) and may be used to explore collective behaviour beyond the one-species limit in simpler setups. In this work we combine particle based and continuum simulations as well as linear stability analyses, and study a physical minimal model of two chemotactic species. We observed a rich phase diagram comprising a "hunting swarm phase", where both species self-segregate and form swarms, pursuing, or hunting each other, and a "core-shell-cluster phase", where one species forms a dense cluster, which is surrounded by a (fluctuating) corona of particles from the other species. Once formed, these clusters can dynamically turn inside out, representing a "species-reversal". These results exemplify a physical route to collective behaviours in microorganisms and active colloids, which are so-far known to occur only for comparatively large and complex animals like insects or crustaceans.

cond-mat.soft↗