arXiv subjects

Hartmut Löwen

Publications and source records attributed to Hartmut Löwen.

At least 289 records · Page 16Linked to original sources

arXiv2011

Huge broadening of the crystal-fluid interface for sedimenting colloids

For sedimenting colloidal hard spheres, the propagation and broadening of the crystal-fluid interface is studied by Brownian dynamics computer simulations of an initially homogeneous sample. Two different types of interface broadenings are observed: the first occurs during growth and is correlated with the interface velocity, the second is concomitant with the splitting of the crystal-fluid interface into the crystal-amorphous and amorphous-liquid interfaces. The latter width is strongly peaked as a function of the gravitational driving strength with a huge amplitude relative to its equilibrium counterpart.

cond-mat.soft↗

arXiv2011

Dynamical density functional theory for colloidal particles with arbitrary shape

Starting from the many-particle Smoluchowski equation, we derive dynamical density functional theory for Brownian particles with an arbitrary shape. Both passive and active (self-propelled) particles are considered. The resulting theory constitutes a microscopic framework to explore the collective dynamical behavior of biaxial particles in nonequilibrium. For spherical and uniaxial particles, earlier derived dynamical density functional theories are recovered as special cases. Our study is motivated by recent experimental progress in preparing colloidal particles with many different biaxial shapes.

cond-mat.soft↗

arXiv2011

Brownian dynamics of a self-propelled particle in shear flow

Brownian dynamics of a self-propelled particle in linear shear flow is studied analytically by solving the Langevin equation and in simulation. The particle has a constant propagation speed along a fluctuating orientation and is additionally subjected to a constant torque. In two spatial dimensions, the mean trajectory and the mean square displacement (MSD) are calculated as functions of time t analytically. In general, the mean trajectories are cycloids that are modified by finite temperature effects. With regard to the MSD different regimes are identified where the MSD scales with t^a with a = 0,1,2,3,4. In particular, an accelerated (a = 4) motion emerges if the particle is self-propelled along the gradient direction of the shear flow.

cond-mat.soft↗

arXiv2011

Polar liquid crystals in two spatial dimensions: the bridge from microscopic to macroscopic modeling

Two-dimensional polar liquid crystals have been discovered recently in monolayers of anisotropic molecules. Here, we provide a systematic theoretical description of liquid-crystalline phases for polar particles in two spatial dimensions. Starting from microscopic density functional theory, we derive a phase-field-crystal expression for the free-energy density which involves three local order-parameter fields, namely the translational density, the polarization, and the nematic order parameter. Various coupling terms between the order-parameter fields are obtained which are in line with macroscopic considerations. Since the coupling constants are brought into connection with the molecular correlations, we establish a bridge from microscopic to macroscopic modeling. Our theory provides a starting point for further numerical calculations of the stability of polar liquid-crystalline phases and is also relevant for modeling of microswimmers which are intrinsically polar.

cond-mat.soft↗

arXiv2011

DDFT calibration and investigation of an anisotropic phase-field crystal model

The anisotropic phase-field crystal model recently proposed and used by Prieler et al. [J. Phys.: Condens. Matter 21, 464110 (2009)] is derived from microscopic density functional theory for anisotropic particles with fixed orientation. Further its morphology diagram is explored. In particular we investigated the influence of anisotropy and undercooling on the process of nucleation and microstructure formation from atomic to the microscale. To that end numerical simulations were performed varying those dimensionless parameters which represent anisotropy and undercooling in our anisotropic phase-field crystal (APFC) model. The results from these numerical simulations are summarized in terms of a morphology diagram of the stable state phase. These stable phases are also investigated with respect to their kinetics and characteristic morphological features.

cond-mat.mtrl-sci↗

arXiv2011

Stability of liquid crystalline phases in the phase-field-crystal model

The phase-field-crystal model for liquid crystals is solved numerically in two spatial dimensions. This model is formulated with three position-dependent order parameters, namely the reduced translational density, the local nematic order parameter, and the mean local direction of the orientations. The equilibrium free-energy functional involves local powers of the order parameters up to fourth order, gradients of the order parameters up to fourth order, and different couplings between the order parameters. The stable phases of the equilibrium free-energy functional are calculated for various coupling parameters. Among the stable liquid-crystalline states are the isotropic, nematic, columnar, smectic A, and plastic crystalline phases. The plastic crystals can have triangular, square, and honeycomb lattices and exhibit orientational patterns with a complex topology involving a sublattice with topological defects. Phase diagrams were obtained by numerical minimization of the free-energy functional. Their main features are qualitatively in line with much simpler one-mode approximations for the order parameters.

cond-mat.soft↗

arXiv2010

Chemotactic predator-prey dynamics

A discrete chemotactic predator-prey model is proposed in which the prey secrets a diffusing chemical which is sensed by the predator and vice versa. Two dynamical states corresponding to catching and escaping are identified and it is shown that steady hunting is unstable. For the escape process, the predator-prey distance is diffusive for short times but exhibits a transient subdiffusive behavior which scales as a power law $t^{1/3}$ with time $t$ and ultimately crosses over to diffusion again. This allows to classify the motility and dynamics of various predatory bacteria and phagocytes. In particular, there is a distinct region in the parameter space where they prove to be infallible predators.

q-bio.PE↗

arXiv2010

Derivation of a three-dimensional phase-field-crystal model for liquid crystals from density functional theory

Using a generalized order parameter gradient expansion within density functional theory, we derive a phase-field-crystal model for liquid crystals composed by apolar particles in three spatial dimensions. Both the translational density and the orientational direction and ordering are included as order parameters. Different terms involving gradients in the order parameters in the resulting free energy functional are compared to the macroscopic Ginzburg-Landau approach as well as to the hydrodynamic description for liquid crystals. Our approach provides microscopic expressions for all prefactors in terms of the particle interactions. Our phase-field-crystal model generalizes the conventional phase-field-crystal model of spherical particles to orientational degrees of freedom and can be used as a starting point to explore phase transitions and interfaces for various liquid-crystalline phases.

cond-mat.soft↗

arXiv2010

Phase-field-crystal model for liquid crystals

Based on static and dynamical density functional theory, a phase-field-crystal model is derived which involves both the translational density and the orientational degree of ordering as well as a local director field. The model exhibits stable isotropic, nematic, smectic A, columnar, plastic crystalline and orientationally ordered crystalline phases. As far as the dynamics is concerned, the translational density is a conserved order parameter while the orientational ordering is non-conserved. The derived phase-field-crystal model can serve for efficient numerical investigations of various nonequilibrium situations in liquid crystals.

cond-mat.soft↗

arXiv2010

Brownian motion of a self-propelled particle

Overdamped Brownian motion of a self-propelled particle is studied by solving the Langevin equation analytically. On top of translational and rotational diffusion, in the context of the presented model, the "active" particle is driven along its internal orientation axis. We calculate the first four moments of the probability distribution function for displacements as a function of time for a spherical particle with isotropic translational diffusion as well as for an anisotropic ellipsoidal particle. In both cases the translational and rotational motion is either unconfined or confined to one or two dimensions. A significant non-Gaussian behavior at finite times t is signalled by a non-vanishing kurtosis. To delimit the super-diffusive regime, which occurs at intermediate times, two time scales are identified. For certain model situations a characteristic t^3 behavior of the mean square displacement is observed. Comparing the dynamics of real and artificial microswimmers like bacteria or catalytically driven Janus particles to our analytical expressions reveals whether their motion is Brownian or not.

cond-mat.soft↗

arXiv2009

Multilayered crystals of macroions under slit-confinement

The crystalline ground state of macroions confined between two neutral parallel plates in the presence of their homogeneously spread counterions is calculated by lattice-sum minimization of candidate phases involving up to six layers. For increasing macroion density, a cascade of solid-solid transitions is found involving various multilayered crystals. The cascade includes triangular monolayer and buckled bilayer as well as rhombic, squared and triangular phase structures.

cond-mat.soft↗

arXiv2009

Ionic mixtures in two dimensions: from crystals to chain and dipole gases

The ground state of a two-dimensional ionic mixture composed of oppositely charged spheres is determined as a function of the size asymmetry by using a penalty method. The cascade of stable structures includes square, triangular and rhombic crystals as well as a dipolar pair gas and a gas of one-dimensional crystalline chains. Thereby we confirm the square structure, found experimentally on charged granulates, and predict new phases detectable in experiments on granular and colloidal matter.

cond-mat.soft↗

arXiv2009

Statistics of polymer adsorption under shear flow

Using non-equilibrium Brownian dynamics computer simulations, we have investigated the steady state statistics of a polymer chain under three different shear environments: i) linear shear flow in the bulk (no walls), ii) shear vorticity normal to the adsorbing wall, iii) shear gradient normal to the adsorbing wall. The statistical distribution of the chain end-to-end distance and its orientational angles are calculated within our monomer-resolved computer simulations. Over a wide range of shear rates, this distribution can be mapped onto a simple theoretical finite-extensible-nonlinear-elastic dumbbell model with fitted anisotropic effective spring constants. The tails of the angular distribution functions are consistent with scaling predictions borrowed from the bulk dumbbell model. Finally, the frequency of the characteristic periodic tumbling motion has been investigated by simulation as well and was found to be sublinear with the shear rate for the three set-ups, which extends earlier results done in experiments and simulations for free and tethered polymer molecules without adsorption.

cond-mat.soft↗

arXiv2009

Dynamics of a microorganism moving by chemotaxis in its own secretion

The Brownian dynamics of a single microorganism coupled by chemotaxis to a diffusing concentration field which is secreted by the microorganism itself is studied by computer simulations in spatial dimensions $d=1,2,3$. Both cases of a chemoattractant and a chemorepellent are discussed. For a chemoattractant, we find a transient dynamical arrest until the microorganism diffuses for long times. For a chemorepellent, there is a transient ballistic motion in all dimensions and a long-time diffusion. These results are interpreted with the help of a theoretical analysis.

cond-mat.soft↗

arXiv2009

Simulation Study of Sulfonate Cluster Swelling in Ionomers

We have performed simulations to study how increasing humidity affects the structure of Nafion-like ionomers under conditions of low sulfonate concentration and low humidity. At the onset of membrane hydration, the clusters split into smaller parts. These subsequently swell, but then maintain constant the number of sulfonates per cluster. We find that the distribution of water in low-sulfonate membranes depends strongly on the sulfonate concentration. For a relatively low sulfonate concentration, nearly all the side-chain terminal groups are within cluster formations, and the average water loading per cluster matches the water content of membrane. However, for a relatively higher sulfonate concentration the water-to-sulfonate ratio becomes non-uniform. The clusters become wetter, while the inter-cluster bridges become drier. We note the formation of unusual shells of water-rich material that surround the sulfonate clusters.

cond-mat.mtrl-sci↗

arXiv2009

Non-Gaussian behaviour of a self-propelled particle on a substrate

The overdamped Brownian motion of a self-propelled particle which is driven by a projected internal force is studied by solving the Langevin equation analytically. The "active" particle under study is restricted to move along a linear channel. The direction of its internal force is orientationally diffusing on a unit circle in a plane perpendicular to the substrate. An additional time-dependent torque is acting on the internal force orientation. The model is relevant for active particles like catalytically driven Janus particles and bacteria moving on a substrate. Analytical results for the first four time-dependent displacement moments are presented and analysed for several special situations. For vanishing torque, there is a significant dynamical non-Gaussian behaviour at finite times t as signalled by a non-vanishing normalized kurtosis in the particle displacement which approaches zero for long time with a 1/t long-time tail.

cond-mat.soft↗

arXiv2009

Derivation of the phase field crystal model for colloidal solidification

The phase-field crystal model is by now widely used in order to predict crystal nucleation and growth. For colloidal solidification with completely overdamped individual particle motion, we show that the phase-field crystal dynamics can be derived from the microscopic Smoluchowski equation via dynamical density functional theory. The different underlying approximations are discussed. In particular, a variant of the phase-field crystal model is proposed which involves less approximations than the standard phase-field crystal model. We finally test the validity of these phase-field crystal models against dynamical density functional theory. In particular, the velocities of a linear crystal front from the undercooled melt are compared as a function of the undercooling for a two-dimensional colloidal suspension of parallel dipoles. Good agreement is only obtained by a drastic scaling of the free energies in the phase-field crystal model in order to match the bulk freezing transition point.

cond-mat.soft↗

arXiv2009

Crystalline multilayers of the confined Yukawa system

The phase diagram of Yukawa particles confined between two parallel hard walls is calculated at zero-temperature beyond the bilayer regime by lattice-sum-minimization. Tuning the screening, a rich phase behavior is found in the regime bounded by stable two-triangular layers and 3-square layers. In this regime, alternating prism phases with square and triangular basis, structures derived from a hcp bulk lattice, and a structure with two outer layers and two inner staggered rectangular layers, reminiscent of a Belgian waffle iron, are stable. These structures are verifiable in experiments on charged colloidal suspensions and dusty plasma sheets.

cond-mat.soft↗