arXiv subjects

Annette Zippelius

Publications and source records attributed to Annette Zippelius.

At least 37 records · Page 2Linked to original sources

arXiv2017

Emergence of long-ranged stress correlations at the liquid to glass transition

A theory for the non-local shear stress correlations in supercooled liquids is derived from first principles. It captures the crossover from viscous to elastic dynamics at an idealized liquid to glass transition and explains the emergence of long-ranged stress correlations in glass, as expected from classical continuum elasticity. The long-ranged stress correlations can be traced to the coupling of shear stress to transverse momentum, which is ignored in the classic Maxwell model. To rescue this widely used model, we suggest a generalization in terms of a single relaxation time $τ$ for the fast degrees of freedom only. This generalized Maxwell model implies a divergent correlation length $ξ\proptoτ$ as well as dynamic critical scaling and correctly accounts for the far-field stress correlations. It can be rephrased in terms of generalized hydrodynamic equations, which naturally couple stress and momentum and furthermore allow to connect to fluidity and elasto-plastic models.

cond-mat.soft↗

arXiv2016

Friction-induced Shear thickening: a microscopic perspective

We develop a microscopic picture of shear thickening in dense suspensions which emphasizes the role of frictional forces, coupling rotational and translational degrees of freedom. Simulations with contact forces and viscous drag only, reveal pronounced shear thickening with a simultaneous increase in contact number and energy dissipation by frictional forces. At high densities, when the translational motion is severely constrained, we observe liquid-like gear-states with pronounced relative rotations of the particles coexisting with solid-like regions which rotate as a whole. The latter are stabilised by frustrated loops which become more numerous and persistent with increasing pressure, giving rise to an increasing lengthscale of this mosaique-like structure and a corresponding increase in viscosity.

cond-mat.soft↗

arXiv2016

Elasticity of a semiflexible filament with a discontinuous tension due to a cross-link or a molecular motor

We analyze the stretching elasticity of a wormlike chain with a tension discontinuity resulting from a Hookean spring connecting its backbone to a fixed point. The elasticity of isolated semiflexible filaments has been the subject in a significant body of literature, primarily because of its relevance to the mechanics of biological matter. In real systems, however, these filaments are usually part of supramolecular structures involving cross-linkers or molecular motors which cause tension discontinuities. Our model is intended as a minimal structural element incorporating such a discontinuity. We obtain analytical results in the weakly bending limit of the filament, concerning its force-extension relation and the response of the two parts in which the filament is divided by the spring. For a small tension discontinuity, the linear response of the filament extension to this discontinuity strongly depends on the external tension. For large external tension $f$, the spring force contributes a subdominant correction $\sim 1/f^{3/2}$ to the well known $\sim 1/\sqrt{f}$ dependence of the end-to-end extension.

physics.bio-ph↗

arXiv2016

Rheological Chaos of Frictional Grains

A two-dimensional dense fluid of frictional grains is shown to exhibit time-chaotic, spatially heterogeneous flow in a range of stress values, $σ$, chosen in the unstable region of s-shaped flow curves. Stress controlled simulations reveal a phase diagram with reentrant stationary flow for small and large stress $σ$. In between no steady flow state can be reached, instead the system either jams or displays time dependent heterogeneous strain rates $\dotγ({\bf r},t)$. The results of simulations are in agreement with the stability analysis of a simple hydrodynamic model, coupling stress and microstructure which we tentatively associate with the frictional contact network.

cond-mat.soft↗

arXiv2015

Mechanical properties of branched actin filaments

Cells moving on a two dimensional substrate generate motion by polymerizing actin filament networks inside a flat membrane protrusion. New filaments are generated by branching off existing ones, giving rise to branched network structures. We investigate the force-extension relation of branched filaments, grafted on an elastic structure at one end and pushing with the free ends against the leading edge cell membrane. Single filaments are modeled as worm-like chains, whose thermal bending fluctuations are restricted by the leading edge cell membrane, resulting in an effective force. Branching can increase the stiffness considerably; however the effect depends on branch point position and filament orientation, being most pronounced for intermediate tilt angles and intermediate branch point positions. We describe filament networks without cross-linkers to focus on the effect of branching. We use randomly positioned branch points, as generated in the process of treadmilling, and orientation distributions as measured in lamellipodia. These networks reproduce both the weak and strong force response of lamellipodia as measured in force-velocity experiments. We compare properties of branched and unbranched networks. The ratio of the network average of the force per branched filament to the average force per unbranched filament depends on the orientation distribution of the filaments. The ratio exhibits compression dependence and may go up to about 4.5 in networks with a narrow orientation distribution. With orientation distributions measured in lamellipodia, it is about two and essentially independent from network compression, graft elasticity and filament persistence length.

physics.bio-ph↗

arXiv2014

Tension-induced binding of semiflexible biopolymers

We investigate theoretically the effect of polymer tension on the collective behavior of reversibly binding cross-links. For this purpose, we employ a model of two weakly bending wormlike chains aligned in parallel by a tensile force, with a sequence of inter-chain binding sites regularly spaced along the contours. Reversible cross-links attach and detach at the sites with an affinity controlled by a chemical potential. In a mean-field approach, we calculate the free energy of the system and find the emergence of a free-energy barrier which controls the reversible (un)binding. The tension affects the conformational entropy of the chains which competes with the binding energy of the cross-links. This competition gives rise to a sudden increase in the fraction of bound sites as the tension increases. We show that this transition is related to the cross-over between weak and strong localization of a directed polymer in a pinning potential. The cross-over to the strongly bound state can be interpreted as a mechanism for force-stiffening of cross-linked polymers -- beyond the elasticity of a single wormlike chain.

physics.bio-ph↗

arXiv2014

Phase diagram of selectively cross-linked block copolymers shows chemically microstructured gel

We study analytically the intricate phase behavior of cross-linked $AB$ diblock copolymer melts, which can undergo two main phase transitions due to quenched random constraints: Gelation, i.e., spatially random localization of polymers forming a system-spanning cluster, is driven by increasing the number parameter $μ$ of irreversible, type-selective cross-links between random pairs of $A$ blocks. Self-assembly into a periodic pattern of $A$/$B$-rich microdomains (microphase separation) is controlled by the $AB$ incompatibility $χ$ inversely proportional to temperature. Our model aims to capture the system's essential microscopic features, including an ensemble of random networks that reflects spatial correlations at the instant of cross-linking. We identify suitable order parameters and derive a free-energy functional in the spirit of Landau theory that allows us to trace a phase diagram in the plane of $μ$ and $χ$. Selective cross-links promote microphase separation at higher critical temperatures than in uncross-linked diblock copolymer melts. Microphase separation in the liquid state facilitates gelation, giving rise to a novel gel state whose chemical composition density mirrors the periodic $AB$ pattern.

cond-mat.soft↗

arXiv2014

Dynamics of driven granular suspensions

We suggest a simple model for the dynamics of granular particles in suspension which is suitable for an event driven algorithm, allowing to simulate $N=\mathcal{O}(10^6)$ particles or more. As a first application we consider a dense granular packing which is fluidized by an upward stream of liquid, i.e. a fluidized bed. In the stationary state, when all forces balance, we always observe a well defined interface whose width is approximately independent of packing fraction. We also study the dynamics of expansion and sedimentation after a sudden change in flow rate giving rise to a change in stationary packing fraction and determine the timescale to reach a stationary state.

cond-mat.soft↗

arXiv2014

Jamming of Frictional Particles: a Non-equilibrium First Order Phase Transition

We propose a phase diagram for the shear flow of dry granular particles in two dimensions based on simulations and a phenomenological Landau-theory for a nonequilibrium first order phase transition. Our approach incorporates both frictional as well as frictionless particles. The most important feature of the frictional phase diagram is re-entrant flow and a critical jamming point at finite stress. In the frictionless limit the regime of re-entrance vanishes and the jamming transition is continuous with a critical point at zero stress. The jamming phase diagrams derived from the model agree with the experiments of Bi et al. (Nature (2011)) and brings together previously conflicting numerical results.

cond-mat.soft↗

arXiv2014

Strong Dynamical Heterogeneity and Universal Scaling in Driven Granular Fluids

Large scale simulations of two-dimensional bidisperse granular fluids allow us to determine spatial correlations of slow particles via the four-point structure factor $S_4(q,t)$. Both cases, elastic ($\varepsilon=1$) as well as inelastic ($\varepsilon < 1$) collisions, are studied. As the fluid approaches structural arrest, i.e. for packing fractions in the range $0.6 \le ϕ\le 0.805$, scaling is shown to hold: $S_4(q,t)/χ_4(t)=s(qξ(t))$. Both the dynamic susceptibility, $χ_4(τ_α)$, as well as the dynamic correlation length, $ξ(τ_α)$, evaluated at the $α$ relaxation time, $τ_α$, can be fitted to a power law divergence at a critical packing fraction. The measured $ξ(τ_α)$ widely exceeds the largest one previously observed for hard sphere 3d fluids. The number of particles in a slow cluster and the correlation length are related by a robust power law, $χ_4(τ_α) \approxξ^{d-p}(τ_α)$, with an exponent $d-p\approx 1.6$. This scaling is remarkably independent of $\varepsilon$, even though the strength of the dynamical heterogeneity increases dramatically as $\varepsilon$ grows.

cond-mat.stat-mech↗

arXiv2013

Active Microrheology of Driven Granular Particles

When pulling a particle in a driven granular fluid with constant force $F_{ex}$, the probe particle approaches a steady-state average velocity $v$. This velocity and the corresponding friction coefficient of the probe $ζ=F_{ex}/v$ are obtained within a schematic model of mode-coupling theory and compared to results from event-driven simulations. For small and moderate drag forces, the model describes the simulation results successfully for both the linear as well as the nonlinear region: The linear response regime (constant friction) for small drag forces is followed by shear thinning (decreasing friction) for moderate forces. For large forces, the model demonstrates a subsequent increasing friction in qualitative agreement with the data. The square-root increase of the friction with force found in [Fiege et al., Granular Matter $\boldsymbol{14}$, 247 (2012)] is explained by a simple kinetic theory.

cond-mat.soft↗

arXiv2013

Bundling in brushes of directed and semiflexible polymers

We explore the effect of an attractive interaction between parallel-aligned polymers, which are perpendicularly grafted on a substrate. Such an attractive interaction could be due to, e.g., reversible cross-links. The competition between permanent grafting favoring a homogeneous state of the polymer brush and the attraction, which tends to induce in-plane collapse of the aligned polymers, gives rise to an instability of the homogeneous phase to a bundled state. In this latter state the in-plane translational symmetry is spontaneously broken and the density is modulated with a finite wavelength, which is set by the length scale of transverse fluctuations of the grafted polymers. We analyze the instability for two models of aligned polymers: directed polymers with a line tension and weakly bending chains with a bending stiffness.

cond-mat.soft↗

arXiv2013

Anomalous velocity distributions in active Brownian suspensions

Large scale simulations and analytical theory have been combined to obtain the non-equilibrium velocity distribution, $f(v)$, of randomly accelerated particles in suspension. The simulations are based on an event-driven algorithm, generalised to include friction. They reveal strongly anomalous but largely universal distributions which are independent of volume fraction and collision processes, which suggests a one-particle model should capture all the essential features. We have formulated this one-particle model and solved it analytically in the limit of strong damping, where we find that $f(v)$ decays as $1/v$ for multiple decades, eventually crossing over to a Gaussian decay for the largest velocities. Many particle simulations and numerical solution of the one-particle model agree for all values of the damping.

cond-mat.stat-mech↗

arXiv2013

Temperature-Dependent Defect Dynamics in the Network Glass SiO2

We investigate the long time dynamics of a strong glass former, SiO2, below the glass transition temperature by averaging single particle trajectories over time windows which comprise roughly 100 particle oscillations. The structure on this coarse-grained time scale is very well defined in terms of coordination numbers, allowing us to identify ill-coordinated atoms, called defects in the following. The most numerous defects are OO neighbors, whose lifetimes are comparable to the equilibration time at low temperature. On the other hand SiO and OSi defects are very rare and short lived. The lifetime of defects is found to be strongly temperature dependent, consistent with activated processes. Single-particle jumps give rise to local structural rearrangements. We show that in SiO2 these structural rearrangements are coupled to the creation or annihilation of defects, giving rise to very strong correlations of jumping atoms and defects.

cond-mat.dis-nn↗

arXiv2013

Elasticity of cross-linked semiflexible biopolymers under tension

Aiming at the mechanical properties of cross-linked biopolymers, we set up and analyze a model of two weakly bending wormlike chains subjected to a tensile force, with regularly spaced inter-chain bonds (cross-links) represented by harmonic springs. Within this model, we compute the force-extension curve and the differential stiffness exactly and discuss several limiting cases. Cross-links effectively stiffen the chain pair by reducing thermal fluctuations transverse to the force and alignment direction. The extra alignment due to cross-links increases both with growing number and with growing strength of the cross-links, and is most prominent for small force f. For large f, the additional, cross-link-induced extension is subdominant except for the case of linking the chains rigidly and continuously along their contour. In this combined limit, we recover asymptotically the elasticity of a weakly bending wormlike chain without constraints, stiffened by a factor four. The increase in differential stiffness can be as large as 100% for small f or large numbers of cross-links.

physics.bio-ph↗

arXiv2012

Force-extension relation of cross-linked anisotropic polymer networks

Cross-linked polymer networks with orientational order constitute a wide class of soft materials and are relevant to biological systems (e.g., F-actin bundles). We analytically study the nonlinear force-extension relation of an array of parallel-aligned, strongly stretched semiflexible polymers with random cross-links. In the strong stretching limit, the effect of the cross-links is purely entropic, independent of the bending rigidity of the chains. Cross-links enhance the differential stretching stiffness of the bundle. For hard cross-links, the cross-link contribution to the force-extension relation scales inversely proportional to the force. Its dependence on the cross-link density, close to the gelation transition, is the same as that of the shear modulus. The qualitative behavior is captured by a toy model of two chains with a single cross-link in the middle.

cond-mat.dis-nn↗

arXiv2012

Stability of freely falling granular streams

A freely falling stream of weakly cohesive granular particles is modeled and analysed with help of event driven simulations and continuum hydrodynamics. The former show a breakup of the stream into droplets, whose size is measured as a function of cohesive energy. Extensional flow is an exact solution of the one-dimensional Navier-Stokes equation, corresponding to a strain rate, decaying like 1/t from its initial value, gammaDot0. Expanding around this basic state, we show that the flow is stable for short times (gammaDot0 * t << 1), whereas for long times (gammaDot0 * t >> 1) perturbations of all wavelength grow. The growthrate of a given wavelength depends on the instant of time when the fluctuation occurs, so that the observable patterns can vary considerably.

cond-mat.soft↗

arXiv2012

Dynamics of an Intruder in Dense Granular Fluids

We investigate the dynamics of an intruder pulled by a constant force in a dense two-dimensional granular fluid by means of event-driven molecular dynamics simulations. In a first step, we show how a propagating momentum front develops and compactifies the system when reflected by the boundaries. To be closer to recent experiments \cite{candelier2010journey,candelier2009creep}, we then add a frictional force acting on each particle, proportional to the particle's velocity. We show how to implement frictional motion in an event-driven simulation. This allows us to carry out extensive numerical simulations aiming at the dependence of the intruder's velocity on packing fraction and pulling force. We identify a linear relation for small and a nonlinear regime for high pulling forces and investigate the dependence of these regimes on granular temperature.

cond-mat.stat-mech↗