arXiv subjects

Uwe Thiele

Publications and source records attributed to Uwe Thiele.

At least 73 records · Page 4Linked to original sources

arXiv2018

Recent advances in and future challenges for mesoscopic hydrodynamic modelling of complex wetting

We highlight some recent developments that widen the scope and reach of mesoscopic thin-film (or long-wave) hydrodynamic models employed to describe the dynamics of thin films, drops and contact lines of simple and complex liquids on solid substrates. The basis of the discussed developments is the reformulation of various mesoscopic thin-film hydrodynamic models as gradient dynamics on underlying energy functionals. After briefly presenting the general approach, the following sections discuss how to improve these models by amending the energy functional and the mobility function, how to obtain gradient dynamics models for some complex liquids, and how to incorporate processes beyond relaxational dynamics.

physics.flu-dyn↗

arXiv2018

Connecting monotonic and oscillatory motions of the meniscus of a volatile polymer solution to the transport of polymer coils and deposit morphology

We study the connection between the polymer deposition patterns to appear following the evaporation of a solution of poly-methyl-methacrylate (PMMA) in toluene, the transport of the polymer coils in the solution, and the motion of the meniscus of the solution. Different deposition patterns are observed when varying the molecular mass and initial concentration of the solute and temperature and are systematically presented in the form of morphological phase diagrams. The modi of deposition and meniscus motion are correlated. They vary with the ratio between the evaporation-driven convective flux and diffusive flux of the polymer coils in the solution. In the case of a diffusion-dominated solute transport, the solution monotonically dewets the solid substrate by evaporation, supporting continuous contact line motion and continuous polymer deposition. However, a convection-dominated transport results in an oscillatory ratcheting dewetting-wetting motion of the contact line with more pronounced dewetting phases. The deposition process is then periodic and produces a stripe pattern. The oscillatory motion of the meniscus differs from the well documented stick-slip motion of the meniscus, observed as well, and is attributed to the opposing influences of evaporation and Marangoni stresses, which alternately dominate the deposition process.

cond-mat.soft↗

arXiv2018

Order-of-magnitude speedup for steady states and traveling waves via Stokes preconditioning in Channelflow and Openpipeflow

Steady states and traveling waves play a fundamental role in understanding hydrodynamic problems. Even when unstable, these states provide the bifurcation-theoretic explanation for the origin of the observed states. In turbulent wall-bounded shear flows, these states have been hypothesized to be saddle points organizing the trajectories within a chaotic attractor. These states must be computed with Newton's method or one of its generalizations, since time-integration cannot converge to unstable equilibria. The bottleneck is the solution of linear systems involving the Jacobian of the Navier-Stokes or Boussinesq equations. Originally such computations were carried out by constructing and directly inverting the Jacobian, but this is unfeasible for the matrices arising from three-dimensional hydrodynamic configurations in large domains. A popular method is to seek states that are invariant under numerical time integration. Surprisingly, equilibria may also be found by seeking flows that are invariant under a single very large Backwards-Euler Forwards-Euler timestep. We show that this method, called Stokes preconditioning, is 10 to 50 times faster at computing steady states in plane Couette flow and traveling waves in pipe flow. Moreover, it can be carried out using Channelflow (by Gibson) and Openpipeflow (by Willis) without any changes to these popular spectral codes. We explain the convergence rate as a function of the integration period and Reynolds number by computing the full spectra of the operators corresponding to the Jacobians of both methods.

physics.flu-dyn↗

arXiv2018

Modelling of surfactant-driven front instabilities in spreading bacterial colonies

The spreading of bacterial colonies at solid-air interfaces is determined by the physico-chemical properties of the involved interfaces. The production of surfactant molecules by bacteria is a widespread strategy that allows the colony to efficiently expand over the substrate. On the one hand, surfactant molecules lower the surface tension of the colony, effectively increasing the wettability of the substrate, which facilitates spreading. On the other hand, gradients in the surface concentration of surfactant molecules result in Marangoni flows that drive spreading. These flows may cause an instability of the circular colony shape and the subsequent formation of fingers. In this work, we study the effect of bacterial surfactant production and substrate wettability on colony growth and shape within the framework of a hydrodynamic thin film model. We show that variations in the wettability and surfactant production are sufficient to reproduce four different types of colony growth, which have been described in the literature, namely, arrested and continuous spreading of circular colonies, slightly modulated front lines and the formation of pronounced fingers.

physics.bio-ph↗

arXiv2018

Equilibrium contact angle and adsorption layer properties with surfactants

The three-phase contact line of a droplet on a smooth surface can be characterized by the Young-Dupré equation. It relates the interfacial energies with the macroscopic contact angle $θ_e$. On the mesoscale, wettability is modeled by a film-height-dependent wetting energy $f(h)$. Macro- and mesoscale description are consistent if $γ\cos θ_\mathrm{e} =γ+f(h_\mathrm{a})$ where $γ$ and $h_\mathrm{a}$ are the liquid-gas interface energy and the thickness of the equilibrium liquid adsorption layer, respectively. Here, we derive a similar consistency condition for the case of a liquid covered by an insoluble surfactant. At equilibrium, the surfactant is spatially inhomogeneously distributed implying a non-trivial dependence of $θ_\mathrm{e}$ on surfactant concentration. We derive macroscopic and mesoscopic descriptions of a contact line at equilibrium and show that they are only consistent if a particular dependence of the wetting energy on the surfactant concentration is imposed.This is illustrated by a simple example of dilute surfactants, for which we show excellent agreement between theory and time-dependent numerical simulations.

physics.flu-dyn↗

arXiv2017

Nudged Elastic Band calculation of the binding potential for liquids at interfaces

The wetting behavior of a liquid on solid substrates is governed by the nature of the effective interaction between the liquid-gas and the solid-liquid interfaces, which is described by the binding or wetting potential $g(h)$ which is an excess free energy per unit area that depends on the liquid film height $h$. Given a microscopic theory for the liquid, to determine $g(h)$ one must calculate the free energy for liquid films of any given value of $h$; i.e. one needs to create and analyze out-of-equilibrium states, since at equilibrium there is a unique value of $h$, specified by the temperature and chemical potential of the surrounding gas. Here we introduce a Nudged Elastic Band (NEB) approach to calculate $g(h)$ and illustrate the method by applying it in conjunction with a microscopic lattice density functional theory for the liquid. We show too that the NEB results are identical to those obtained with an established method based on using a fictitious additional potential to stabilize the non-equilibrium states. The advantages of the NEB approach are discussed.

cond-mat.soft↗

arXiv2017

Sliding drops - ensemble statistics from single drop bifurcations

Ensembles of interacting drops that slide down an inclined plate show a dramatically different coarsening behavior as compared to drops on a horizontal plate: As drops of different size slide at different velocities, frequent collisions result in fast coalescence. However, above a certain size individual sliding drops are unstable and break up into smaller drops. Therefore, the long-time dynamics of a large drop ensemble is governed by a balance of merging and splitting. We employ a long-wave film height evolution equation and determine the dynamics of the drop size distribution towards a stationary state from direct numerical simulations on large domains. The main features of the distribution are then related to the bifurcation diagram of individual drops obtained by numerical path continuation. The gained knowledge allows us to develop a Smoluchowski-type statistical model for the ensemble dynamics that well compares to full direct simulations.

physics.flu-dyn↗

arXiv2017

Comparing kinetic Monte Carlo and Thin-Film Modeling of Transversal Instabilities of Ridges on Patterned Substrates

We employ kinetic Monte Carlo (KMC) simulations and a thin-film continuum model to comparatively study the transverse (i.e., Plateau-Rayleigh) instability of ridges formed by molecules on pre-patterned substrates. It is demonstrated that the evolution of the occurring instability qualitatively agrees between the two models for a single ridge as well as for two weakly interacting ridges. In particular, it is shown for both models that the instability occurs on well defined length and time scales which are, for the KMC model, significantly larger than the intrinsic scales of thermodynamic fluctuations. This is further evidenced by the similarity of dispersion relations characterising the linear instability modes.

cond-mat.soft↗

arXiv2017

Influence of the fluid structure on the binding potential: comparing liquid drop profiles from density functional theory with results from mesoscopic theory

For a film of liquid on a solid surface, the binding potential $g(h)$ gives the free energy as a function of the film thickness $h$ and also the closely related structural disjoining pressure $Π= - \partial g / \partial h$. The wetting behaviour of the liquid is encoded in the binding potential and the equilibrium film thickness corresponds to the value at the minimum of $g(h)$. Here, the method we developed in [J. Chem. Phys. 142, 074702 (2015)], and applied with a simple discrete lattice-gas model, is used with continuum density functional theory (DFT) to calculate the binding potential for a Lennard-Jones fluid and other simple liquids. The DFT used is based on fundamental measure theory and so incorporates the influence of the layered packing of molecules at the surface and the corresponding oscillatory density profile. The binding potential is frequently input in mesoscale models from which liquid drop shapes and even dynamics can be calculated. Here we show that the equilibrium droplet profiles calculated using the mesoscale theory are in good agreement with the profiles calculated directly from the microscopic DFT. For liquids composed of particles where the range of the attraction is much less than the diameter of the particles, we find that at low temperatures $g(h)$ decays in an oscillatory fashion with increasing $h$, leading to highly structured terraced liquid droplets.

cond-mat.soft↗

arXiv2017

Films, layers and droplets: The effect of near-wall fluid structure on spreading dynamics

We present a study of the spreading of liquid droplets on a solid substrate at very small scales. We focus on the regime where effective wetting energy (binding potential) and surface tension effects significantly influence steady and spreading droplets. In particular, we focus on strong packing and layering effects in the liquid near the substrate due to underlying density oscillations in the fluid caused by attractive substrate-liquid interactions. We show that such phenomena can be described by a thin-film (or long-wave or lubrication) model including an oscillatory Derjaguin (or disjoining/conjoining) pressure, and explore the effects it has on steady droplet shapes and the spreading dynamics of droplets on both, an adsorption (or precursor) layer and completely dry substrates. At the molecular scale, commonly used two-term binding potentials with a single preferred minimum controlling the adsorption layer height are inadequate to capture the rich behaviour caused by the near-wall layered molecular packing. The adsorption layer is often sub-monolayer in thickness, i.e., the dynamics along the layer consists of single-particle hopping, leading to a diffusive dynamics, rather than the collective hydrodynamic motion implicit in standard thin-film models. We therefore modify the model in such a way that for thicker films the standard hydrodynamic theory is realised, but for very thin layers a diffusion equation is recovered.

physics.flu-dyn↗

arXiv2016

Persistent vs. arrested spreading of biofilms at solid-gas interfaces - the role of surface forces

We introduce and analyze a model for osmotically spreading biofilm colonies at solid-air interfaces that includes wetting phenomena, i.e. surface forces. The model combines a hydrodynamic description for biologically passive liquid suspensions with bioactive processes. We show that wetting effects are responsible for a transition between persistent and arrested spreading and provide experimental evidence for the existence of this transition for Bacillus subtilis biofilms growing on agar substrates. In the case of arrested spreading, the biofilm is non-invasive albeit being biologically active. However, a small reduction in the surface tension of the biofilm is sufficient to induce spreading.

physics.bio-ph↗

arXiv2016

Dip-coating with prestructured substrates: transfer of simple liquids and Langmuir-Blodgett monolayers

When a plate is withdrawn from a liquid bath, either a static meniscus forms in the transition region between the bath and the substrate or a liquid film of finite thickness (a Landau-Levich film) is transferred onto the moving substrate. If the substrate is inhomogeneous, e.g., has a prestructure consisting of stripes of different wettabilities, the meniscus can be deformed or show a complex dynamic behavior. Here we study the free surface shape and dynamics of a dragged meniscus occurring for striped prestructures with two orientations, parallel and perpendicular to the transfer direction. A thin film model is employed that accounts for capillarity through a Laplace pressure and for the spatially varying wettability through a Derjaguin (or disjoining) pressure. Numerical continuation is used to obtain steady free surface profiles and corresponding bifurcation diagrams in the case of substrates with different homogeneous wettabilities. Direct numerical simulations are employed in the case of the various striped prestructures. The final part illustrates the importance of our findings for particular applications that involve complex liquids by modeling a Langmuir-Blodgett transfer experiment. There, one transfers a monolayer of an insoluble surfactant that covers the surface of the bath onto the moving substrate. The resulting pattern formation phenomena can be crucially influenced by the hydrodynamics of the liquid meniscus that itself depends on the prestructure on the substrate. In particular, we show how prestructure stripes parallel to the transfer direction lead to the formation of bent stripes in the surfactant coverage after transfer and present similar experimental results.

physics.flu-dyn↗

arXiv2016

Morphological transitions of sliding drops: Dynamics and bifurcations

We study fully three-dimensional droplets that slide down an incline by employing a thin-film equation that accounts for capillarity, wettability, and a lateral driving force in small-gradient (or long-wave) approximation. In particular, we focus on qualitative changes in the morphology and behavior of stationary sliding drops. We employ the inclination angle of the substrate as control parameter and use continuation techniques to analyze for several fixed droplet sizes the bifurcation diagram of stationary droplets, their linear stability, and relevant eigenmodes. The obtained predictions on existence ranges and instabilities are tested via direct numerical simulations that are also used to investigate a branch of time-periodic behavior (corresponding to repeated breakup-coalescence cycles, where the breakup is also denoted as pearling) which emerges at a global instability, the related hysteresis in behavior, and a period-doubling cascade. The nontrivial oscillatory behavior close to a Hopf bifurcation of drops with a finite-length tail is also studied. Finally, it is shown that the main features of the bifurcation diagram follow scaling laws over several decades of the droplet size.

physics.flu-dyn↗

arXiv2016

From a thin film model for passive suspensions towards the description of osmotic biofilm spreading

Biofilms are ubiquitous macro-colonies of bacteria that develop at various interfaces (solid-liquid, solid-gas or liquid-gas). The formation of biofilms starts with the attachment of individual bacteria to an interface, where they proliferate and produce a slimy polymeric matrix - two processes that result in colony growth and spreading. Recent experiments on the growth of biofilms on agar substrates under air have shown that for certain bacterial strains, the production of the extracellular matrix and the resulting osmotic influx of nutrient-rich water from the agar into the biofilm are more crucial for the spreading behaviour of a biofilm than the motility of individual bacteria. We present a model which describes the biofilm evolution and the advancing biofilm edge for this spreading mechanism. The model is based on a gradient dynamics formulation for thin films of biologically passive liquid mixtures and suspensions, supplemented by bioactive processes which play a decisive role in the osmotic spreading of biofilms. It explicitly includes the wetting properties of the biofilm on the agar substrate via a disjoining pressure and can therefore give insight into the interplay between passive surface forces and bioactive growth processes.

physics.bio-ph↗

arXiv2016

Gradient dynamics models for liquid films with soluble surfactant

In this paper we propose equations of motion for the dynamics of liquid films of surfactant suspensions that consist of a general gradient dynamics framework based on an underlying energy functional. This extends the gradient dynamics approach to dissipative non-equilibrium thin film systems with several variables, and casts their dynamic equations into a form that reproduces Onsager's reciprocity relations. We first discuss the general form of gradient dynamics models for an arbitrary number of fields and discuss simple well-known examples with one or two fields. Next, we develop the gradient dynamics (three field) model for a thin liquid film covered by soluble surfactant and discuss how it automatically results in consistent convective (driven by pressure gradients, Marangoni forces and Korteweg stresses), diffusive, adsorption/desorption, and evaporation fluxes. We then show that in the dilute limit, the model reduces to the well-known hydrodynamic form that includes Marangoni fluxes due to a linear equation of state. In this case the energy functional incorporates wetting energy, surface energy of the free interface (constant contribution plus an entropic term) and bulk mixing entropy. Subsequently, as an example, we show how various extensions of the energy functional result in consistent dynamical models that account for nonlinear equations of state, concentration-dependent wettability and surfactant and film bulk decomposition phase transitions. We conclude with a discussion of further possible extensions towards systems with micelles, surfactant adsorption at the solid substrate and bioactive behaviour.

physics.flu-dyn↗

arXiv2016

Bifurcation analysis of the behavior of partially wetting liquids on a rotating cylinder

We discuss the behavior of partially wetting liquids on a rotating cylinder using a model that takes into account the effects of gravity, viscosity, rotation, surface tension and wettability. Such a system can be considered as a prototype for many other systems where the interplay of spatial heterogeneity and a lateral driving force in the proximity of a first- or second-order phase transition results in intricate behavior. So does a partially wetting drop on a rotating cylinder undergo a depinning transition as the rotation speed is increased, whereas for ideally wetting liquids the behavior \bfuwe{only changes quantitatively. We analyze the bifurcations that occur when the rotation speed is increased for several values of the equilibrium contact angle of the partially wetting liquids. This allows us to discuss how the entire bifurcation structure and the flow behavior it encodes changes with changing wettability. We employ various numerical continuation techniques that allow us to track stable/unstable steady and time-periodic film and drop thickness profiles. We support our findings by time-dependent numerical simulations and asymptotic analyses of steady and time-periodic profiles for large rotation numbers.

physics.flu-dyn↗

arXiv2016

Mode instabilities and dynamic patterns in a colony of self-propelled surfactant particles covering a thin liquid layer

We consider a colony of point-like self-propelled surfactant particles (swimmers) without direct interactions that cover a thin liquid layer on a solid support. Although the particles predominantly swim normal to the free film surface, their motion also has a component parallel to the film surface. The coupled dynamics of the swimmer density and film height profile is captured in a long-wave model allowing for diffusive and convective transport of the swimmers (including rotational diffusion). The dynamics of the film height profile is determined by three physical effects: the upward pushing force of the swimmers onto the liquid-gas interface that always destabilizes the flat film, the solutal Marangoni force due to gradients in the swimmer concentration that always acts stabilising, and finally the rotational diffusion of the swimmers together with the in-plance active motion that acts either stabilising or destabilising. After reviewing and extending the analysis of the linear stability of the flat film with uniform swimmer density, we analyse the full nonlinear dynamic equations and show that point-like swimmers, which only interact via long-wave deformations of the liquid film, self-organise in highly regular (standing, travelling and modulated waves) and various irregular patterns for swimmer density and film height.

cond-mat.soft↗

arXiv2015

Instabilities of layers of deposited molecules on chemically stripe patterned substrates: Ridges vs. drops

A mesoscopic continuum model is employed to analyse the transport mechanisms and structure formation during the redistribution stage of deposition experiments where organic molecules are deposited on a solid substrate with periodic stripe-like wettability patterns. Transversally invariant ridges located on the more wettable stripes are identified as very important transient states and their linear stability is analysed. It is found that there exist two different instability modes that result (i) at large ridge volume in the formation of bulges that spill from the more wettable stripes onto the less wettable bare substrate and (ii) at small ridge volume in the formation of small droplets located on the more wettable stripes. These predictions are confirmed by direct numerical simulations of the fully nonlinear evolution equation for two-dimensional substrates. In addition, the influence of different transport mechanisms during redistribution is investigated focusing on the cases of convective transport with no-slip at the substrate, transport via diffusion in the film bulk and via diffusion at the film surface. In particular, it is shown that the transport process does neither influence the linear stability thresholds nor the sequence of morphologies observed in the time simulation, but only the ratio of the time scales of the different process phases.

cond-mat.mes-hall↗