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Uwe Thiele

Publications and source records attributed to Uwe Thiele.

At least 91 records · Page 5Linked to original sources

Modelling Pattern Formation in Dip-Coating Experiments

We briefly review selected mathematical models that describe the dynamics of pattern formation phenomena in dip-coating and Langmuir-Blodgett transfer experiments, where solutions or suspensions are transferred onto a substrate producing patterned deposit layers with structure length from hundreds of nanometres to tens of micrometres. The models are presented with a focus on their gradient dynamics formulations that clearly shows how the dynamics is governed by particular free energy functionals and facilitates the comparison of the models. In particular, we include a discussion of models based on long-wave hydrodynamics as well as of more phenomenological models that focus on the pattern formation processes in such systems. The models and their relations are elucidated and examples of resulting patterns are discussed before we conclude with a discussion of implications of the gradient dynamics formulation and of some related open issues.

nlin.PS↗

Liquid drops on a surface: using density functional theory to calculate the binding potential and drop profiles and comparing with results from mesoscopic modelling

The contribution to the free energy for a film of liquid of thickness $h$ on a solid surface, due to the interactions between the solid-liquid and liquid-gas interfaces is given by the binding potential, $g(h)$. The precise form of $g(h)$ determines whether or not the liquid wets the surface. Note that differentiating $g(h)$ gives the Derjaguin or disjoining pressure. We develop a microscopic density functional theory (DFT) based method for calculating $g(h)$, allowing us to relate the form of $g(h)$ to the nature of the molecular interactions in the system. We present results based on using a simple lattice gas model, to demonstrate the procedure. In order to describe the static and dynamic behaviour of non-uniform liquid films and drops on surfaces, a mesoscopic free energy based on $g(h)$ is often used. We calculate such equilibrium film height profiles and also directly calculate using DFT the corresponding density profiles for liquid drops on surfaces. Comparing quantities such as the contact angle and also the shape of the drops, we find good agreement between the two methods. We also study in detail the effect on $g(h)$ of truncating the range of the dispersion forces, both those between the fluid molecules and those between the fluid and wall. We find that truncating can have a significant effect on $g(h)$ and the associated wetting behaviour of the fluid.

cond-mat.soft↗

Non-Equilibrium Gibbs' Criterion for Completely Wetting Volatile Liquids

During the spreading of a liquid over a solid substrate, the contact line can stay pinned at sharp edges until the contact angle exceeds a critical value. At (or sufficiently near) equilibrium, this is known as Gibbs' criterion. Here, we show both experimentally and theoretically that for completely wetting volatile liquids there also exists a dynamically-produced critical angle for depinning, which increases with the evaporation rate. This suggests that one may introduce a simple modification of the Gibbs' criterion for (de)pinning, that accounts for the non-equilibrium effect of evaporation.

physics.flu-dyn↗

Stability of liquid films covered by a carpet of self-propelled surfactant particles

We consider a carpet of self-propelled particles at the liquid-gas interface of a liquid film on a solid substrate. The particles excert an excess pressure on the interface and also move along the interface while the swimming direction performs rotational diffusion. We study the intricate influence of these self-propelled insoluble surfactants on the stability of the film surface and show that depending on the strength of in-surface rotational diffusion and the absolute value of the in-surface swimming velocity several characteristic instability modes can occur. In particular, rotational diffusion can either stabilize the film or induce instabilities of different character.

cond-mat.soft↗

Emergence of the bifurcation structure of a Langmuir-Blodgett transfer model

We explore the bifurcation structure of a modified Cahn-Hilliard equation that describes a system that may undergo a first order phase transition and is kept permanently out of equilibrium by a lateral driving. This forms a simple model, e.g., for the deposition of stripe patterns of different phases of surfactant molecules through Langmuir-Blodgett transfer. Employing continuation techniques the bifurcation structure is numerically investigated employing the non-dimensional transfer velocity as the main control parameter. It is found that the snaking structure of steady fronts states is intertwined with a large number of branches of time-periodic solutions that emerge from Hopf or period doubling bifurcations and end in global bifurcations (sniper and homoclinic). Overall the bifurcation diagram has a harp-like appearance. This is complemented by a two-parameter study (in non-dimensional transfer velocity and domain size) that elucidates through which local and global codimension 2 bifurcations the entire harp-like structure emerges.

nlin.PS↗

Collapsed heteroclinic snaking near a heteroclinic chain in dragged meniscus problems

We study a liquid film that is deposited onto a flat plate that is inclined at a constant angle to the horizontal and is extracted from a liquid bath at a constant speed. We additionally assume that there is a constant temperature gradient along the plate that induces a Marangoni shear stress. We analyse steady-state solutions of a long-wave evolution equation for the film thickness. Using centre manifold theory, we first obtain an asymptotic expansion of solutions in the bath region. The presence of the temperature gradient significantly changes these expansions and leads to the presence of logarithmic terms that are absent otherwise. Next, we obtain numerical solutions of the steady-state equation and analyse the behaviour of the solutions as the plate velocity is changed. We observe that the bifurcation curve exhibits snaking behaviour when the plate inclination angle is beyond a certain critical value. Otherwise, the bifurcation curve is monotonic. The solutions along these curves are characterised by a foot-like structure that is formed close to the meniscus and is preceded by a thin precursor film further up the plate. The length of the foot increases along the bifurcation curve. Finally, we explain that the snaking behaviour of the bifurcation curves is caused by the existence of an infinite number of heteroclinic orbits close to a heteroclinic chain that connects in an appropriate three-dimensional phase space the fixed point corresponding to the precursor film with the fixed point corresponding to the foot and then with the fixed point corresponding to the bath.

physics.flu-dyn↗

Coarsening modes of clusters of aggregating particles

There are two modes by which clusters of aggregating particles can coalesce: The clusters can merge either (i) by the Ostwald ripening process in which particles diffuse from one cluster to the other whilst the cluster centres remain stationary, or (ii) by means of a cluster translation mode, in which the clusters move towards each other and join. To understand in detail the interplay between these different modes, we study a model system of hard particles with an additional attraction between them. The particles diffuse along narrow channels with smooth or periodically corrugated walls, so that the system may be treated as one-dimensional. When the attraction between the particles is strong enough, they aggregate to form clusters. The channel potential influences whether clusters can move easily or not through the system and can prevent cluster motion. We use Dynamical Density Functional theory to study the dynamics of the aggregation process, focusing in particular on the coalescence of two equal size clusters. As long as the particle hard-core diameter is non-zero, we find that the coalescence process can be halted by a sufficiently strong corrugation potential. The period of the potential determines the size of the final stable clusters. For the case of smooth channel walls, we demonstrate that there is a cross-over in the dominance of the two different coarsening modes, that depends on the strength of the attraction between particles, the cluster sizes and the separation distance between clusters.

cond-mat.soft↗

An Introduction to Microscopic Theories for Inhomogeneous Liquids: Getting Started with Density Functional Theory

Classical density functional theory (DFT) is a statistical mechanical theory for calculating the density profiles of the molecules in a liquid. It is widely used, for example. to calculate the density distribution of the molecules in the vicinity of a confining wall, the interfacial tension, the wetting behaviour and many other properties of nonuniform liquids. DFT can however be somewhat daunting to students entering the field, because of the many connections to other areas of liquid-state science that are required and used to develop the theories. Here we give an introduction to some of the key ideas, based on a lattice-gas (Ising) model fluid. This builds on knowledge covered in most undergraduate statistical mechanics and thermodynamics courses and so students can quickly get to the stage of calculating density profiles, etc for themselves. We derive a simple DFT for the lattice-gas and present some typical results that can readily be calculated using the theory.

cond-mat.stat-mech↗

Gradient dynamics description for films of mixtures and suspensions - the case of dewetting triggered by coupled film height and concentration fluctuations

A gradient dynamics model based on an extended interface Hamiltonian is presented that is able to describe the dynamics of structuring processes in thin films of liquid mixtures, solutions and suspensions on solid substrates including coupled dewetting and decomposition. After discussing known limiting cases the model is employed to investigate the dewetting of thin films of liquid mixtures and suspensions under the influence of effective long-range van der Waals forces that depend on solute concentration. The occurring fluxes are discussed and it is shown that spinodal dewetting may be triggered through the coupling of film height and concentration fluctuations. Fully nonlinear calculations provide the time evolution and resulting steady film height and concentration profiles.

cond-mat.soft↗

Note on the hydrodynamic description of thin nematic films: strong anchoring model

We discuss the long-wave hydrodynamic model for a thin film of nematic liquid crystal in the limit of strong anchoring at the free surface and at the substrate. We rigorously clarify how the elastic energy enters the evolution equation for the film thickness in order to provide a solid basis for further investigation: several conflicting models exist in the literature that predict qualitatively different behaviour. We consolidate the various approaches and show that the long-wave model derived through an asymptotic expansion of the full nemato-hydrodynamic equations with consistent boundary conditions agrees with the model one obtains by employing a thermodynamically motivated gradient dynamics formulation based on an underlying free energy functional. As a result, we find that in the case of strong anchoring the elastic distortion energy is always stabilising. To support the discussion in the main part of the paper, an appendix gives the full derivation of the evolution equation for the film thickness via asymptotic expansion.

physics.flu-dyn↗

Patterned deposition at moving contact lines

When a simple or complex liquid recedes from a smooth solid substrate it often leaves a homogeneous or structured deposit behind. In the case of a receding non-volatile pure liquid the deposit might be a liquid film or an arrangement of droplets depending on the receding speed of the meniscus and the wetting properties of the system. For complex liquids with volatile components as, e.g., polymer solutions and particle or surfactant suspensions, the deposit might be a homogeneous or structured layer of solute - with structures ranging from line patterns that can be orthogonal or parallel to the receding contact line via hexagonal or square arrangements of drops to complicated hierarchical structures. We review a number of recent experiments and modelling approaches with a particular focus on mesoscopic hydrodynamic long-wave models. The conclusion highlights open question and speculates about future developments.

physics.flu-dyn↗

Modelling spreading dynamics of liquid crystals in three spatial dimensions

We study spreading dynamics of nematic liquid crystal droplets within the framework of the long-wave approximation. A fourth order nonlinear parabolic partial differential equation governing the free surface evolution is derived. The influence of elastic distortion energy and of imposed anchoring variations at the substrate are explored through linear stability analysis and scaling arguments, which yield useful insight and predictions for the behaviour of spreading droplets. This behaviour is captured by fully nonlinear time-dependent simulations of three dimensional droplets spreading in the presence of anchoring variations that model simple defects in the nematic orientation at the substrate.

physics.flu-dyn↗

Parameter passing between Molecular Dynamics and continuum models for droplets on solid substrates - The static case

We study equilibrium properties of polymer films and droplets on a solid substrate employing particle-based simulation techniques (Molecular Dynamics) and a continuum description. Parameter-passing techniques are explored that facilitate a detailed comparison of the two models. In particular, the liquid-vapor, solid-liquid and solid-vapor interface tensions, and the Derjaguin or disjoining pressure are determined by Molecular Dynamics simulations. This information is then introduced into continuum descriptions accounting for (i) the full curvature and (ii) a long-wave approximation of the curvature (thin film model). A comparison of the dependence of the contact angle on droplet size indicates that the theories agree well if the contact angles are defined in a compatible manner.

cond-mat.soft↗

Localized states in the conserved Swift-Hohenberg equation with cubic nonlinearity

The conserved Swift-Hohenberg equation with cubic nonlinearity provides the simplest microscopic description of the thermodynamic transition from a fluid state to a crystalline state. The resulting phase field crystal model describes a variety of spatially localized structures, in addition to different spatially extended periodic structures. The location of these structures in the temperature versus mean order parameter plane is determined using a combination of numerical continuation in one dimension and direct numerical simulation in two and three dimensions. Localized states are found in the region of thermodynamic coexistence between the homogeneous and structured phases, and may lie outside of the binodal for these states. The results are related to the phenomenon of slanted snaking but take the form of standard homoclinic snaking when the mean order parameter is plotted as a function of the chemical potential, and are expected to carry over to related models with a conserved order parameter.

nlin.PS↗

Modelling the formation of structured deposits at receding contact lines of evaporating solutions and suspensions

When a film of a liquid suspension of nanoparticles or a polymer solution is deposited on a surface, it may dewet from the surface and as the solvent evaporates the solute particles/polymer can be deposited on the surface in regular line patterns. In this paper we explore a hydrodynamic model for the process that is based on a long-wave approximation that predicts the deposition of irregular and regular line patterns. This is due to a self-organised pinning-depinning cycle that resembles a stick-slip motion of the contact line. We present a detailed analysis of how the line pattern properties depend on quantities such as the evaporation rate, the solute concentration, the Péclet number, the chemical potential of the ambient vapour, the disjoining pressure, and the intrinsic viscosity. The results are related to several experiments and to depinning transitions in other soft matter systems.

cond-mat.soft↗

The relation of steady evaporating drops fed by an influx and freely evaporating drops

We discuss a thin film evolution equation for a wetting evaporating liquid on a smooth solid substrate. The model is valid for slowly evaporating small sessile droplets when thermal effects are insignificant, while wettability and capillarity play a major role. The model is first employed to study steady evaporating drops that are fed locally through the substrate. An asymptotic analysis focuses on the precursor film and the transition region towards the bulk drop and a numerical continuation of steady drops determines their fully non-linear profiles. Following this, we study the time evolution of freely evaporating drops without influx for several initial drop shapes. As a result we find that drops initially spread if their initial contact angle is larger than the apparent contact angle of large steady evaporating drops with influx. Otherwise they recede right from the beginning.

cond-mat.soft↗

Thermodynamically consistent description of the hydrodynamics of free surfaces covered by insoluble surfactants of high concentration

In this paper we propose several models that describe the dynamics of liquid films which are covered by a high concentration layer of insoluble surfactant. First, we briefly review the 'classical' hydrodynamic form of the coupled evolution equations for the film height and surfactant concentration that are well established for small concentrations. Then we re-formulate the basic model as a gradient dynamics based on an underlying free energy functional that accounts for wettability and capillarity. Based on this re-formulation in the framework of nonequilibrium thermodynamics, we propose extensions of the basic hydrodynamic model that account for (i) nonlinear equations of state, (ii) surfactant-dependent wettability, (iii) surfactant phase transitions, and (iv) substrate-mediated condensation. In passing, we discuss important differences to most of the models found in the literature.

physics.flu-dyn↗

Rayleigh and depinning instabilities of forced liquid ridges on heterogeneous substrates

Depinning of two-dimensional liquid ridges and three-dimensional drops on an inclined substrate is studied within the lubrication approximation. The structures are pinned to wetting heterogeneities arising from variations of the strength of the short-range polar contribution to the disjoining pressure. The case of a periodic array of hydrophobic stripes transverse to the slope is studied in detail using a combination of direct numerical simulation and branch-following techniques. Under appropriate conditions the ridges may either depin and slide downslope as the slope is increased, or first breakup into drops via a transverse instability, prior to depinning. The different transition scenarios are examined together with the stability properties of the different possible states of the system.

nlin.PS↗