Browsing by Author "Wagner, Barbara"
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- ItemAnisotropic solid-liquid interface kinetics in silicon: An atomistically informed phase-field model(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2017) Bergmann, Sibylle; Barragan-Yani, Daniel A.; Flegel, Elke; Albe, Karsten; Wagner, BarbaraWe present an atomistically informed parametrization of a phase-field model for describing the anisotropic mobility of liquid-solid interfaces in silicon. The model is derived from a consistent set of atomistic data and thus allows to directly link molecular dynamics and phase field simulations. Expressions for the free energy density, the interfacial energy and the temperature and orientation dependent interface mobility are systematically fitted to data from molecular dynamics simulations based on the Stillinger-Weber interatomic potential. The temperature-dependent interface velocity follows a Vogel-Fulcher type behavior and allows to properly account for the dynamics in the undercooled melt.
- ItemAnisotropic surface energy formulations and their effect on stability of a growing thin film(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2012) Korzec, Maciek D.; Münch, Andreas; Wagner, BarbaraIn this paper we revisit models for the description of the evolution of crystalline films with anisotropic surface energies. We prove equivalences of symmetry properties of anisotropic surface energy models commonly used in the literature. Then we systematically develop a framework for the derivation of surface diffusion models for the self-assembly of quantum dots during Stranski-Krastanov growth that include surface energies also with large anisotropy as well as the effect of wetting energy, elastic energy and a randomly perturbed atomic deposition flux. A linear stability analysis for the resulting sixth-order semilinear evolution equation for the thin film surface shows that that the new model allows for large anisotropy and gives rise to the formation of anisotropic quantum dots. The nonlinear three-dimensional evolution is investigated via numerical solutions. These suggest that increasing anisotropy stabilizes the faceted surfaces and may lead to a dramatic slow-down of the coarsening of the dots.
- ItemAnisotropy in wavelet based phase field models(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2014) Korzec, Maciek; Münch, Andreas; Süli, Endre; Wagner, BarbaraAnisotropy is an essential feature of phase-field models, in particular when describing the evolution of microstructures in solids. The symmetries of the crystalline phases are reflected in the interfacial energy by introducing corresponding directional dependencies in the gradient energy coefficients, which multiply the highest order derivative in the phase-field model. This paper instead considers an alternative approach, where the anisotropic gradient energy terms are replaced by a wavelet analogue that is intrinsically anisotropic and linear. In our studies we focus on the classical coupled temperature
- ItemApparent slip for an upper convected Maxwell fluid(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2016) Münch, Andreas; Wagner, Barbara; Cook, L. Pamela; Braun, Richard R.In this study the flow field of a nonlocal, diffusive upper convected Maxwell (UCM) fluid with a polymer in a solvent undergoing shearing motion is investigated for pressure driven planar channel flow and the free boundary problem of a liquid layer on a solid substrate. For large ratios of the zero shear polymer viscosity to the solvent viscosity, it is shown that channel flows exhibit boundary layers at the channel walls. In addition, for increasing stress diffusion the flow field away from the boundary layers undergoes a transition from a parabolic to a plug flow. Using experimental data for the wormlike micelle solutions CTAB/NaSal and CPyCl/NaSal, it is shown that the analytic solution of the governing equations predicts these signatures of the velocity profiles. Corresponding flow structures and transitions are found for the free boundary problem of a thin layer sheared along a solid substrate. Matched asymptotic expansions are used to first derive sharp-interface models describing the bulk flow with expressions for an apparent slip for the boundary conditions, obtained by matching to the flow in the boundary layers. For a thin film geometry several asymptotic regimes are identified in terms of the order of magnitude of the stress diffusion, and corresponding new thin film models with a slip boundary condition are derived.
- ItemApplications of Asymptotic Analysis(Zürich : EMS Publ. House, 2006) Palencia, E. Sanchez; Sokolowski, Jan; Wagner, BarbaraThis workshop focused on asymptotic analysis and its fundamental role in the derivation and understanding of the nonlinear structure of mathematical models in various fields of applications, its impact on the development of new numerical methods and on other fields of applied mathematics such as shape optimization. This was complemented by a review as well as the presentation of some of the latest developments of singular perturbation methods.
- ItemAsymptotic study of the electric double layer at the interface of a polyelectrolyte gel and solvent bath(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Hennessy, Matthew G.; Celora, Giulia L.; Münch, Andreas; Waters, Sarah L.; Wagner, BarbaraAn asymptotic framework is developed to study electric double layers that form at the inter-face between a solvent bath and a polyelectrolyte gel that can undergo phase separation. The kinetic model for the gel accounts for the finite strain of polyelectrolyte chains, free energy ofinternal interfaces, and Stefan?Maxwell diffusion. By assuming that the thickness of the doublelayer is small compared to the typical size of the gel, matched asymptotic expansions are used toderive electroneutral models with consistent jump conditions across the gel-bath interface in two-dimensional plane-strain as well as fully three-dimensional settings. The asymptotic frameworkis then applied to cylindrical gels that undergo volume phase transitions. The analysis indicatesthat Maxwell stresses are responsible for generating large compressive hoop stresses in the double layer of the gel when it is in the collapsed state, potentially leading to localised mechanicalinstabilities that cannot occur when the gel is in the swollen state. When the energy cost of in-ternal interfaces is sufficiently weak, a sharp transition between electrically neutral and chargedregions of the gel can occur. This transition truncates the double layer and causes it to have finitethickness. Moreover, phase separation within the double layer can occur. Both of these featuresare suppressed if the energy cost of internal interfaces is sufficiently high. Thus, interfacial freeenergy plays a critical role in controlling the structure of the double layer in the gel.
- ItemAsymptotics for the spectrum of a thin film equation in a singular limit(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2010) Kitavtsev, Georgy; Recke, Lutz; Wagner, BarbaraIn this paper the linear stability properties of the steady states of a no-slip lubrication equation are studied. The steady states are configurations of droplets and arise during the late-phase dewetting process under the influence of both destabilizing van der Waals and stabilizing Born intermolecular forces, which in turn give rise to the minimum thickness eps of the remaining film connecting the droplets. The goal of this paper is to give an asymptotic description of the eigenvalues and eigenfunctions of the problem, linearized about the one-droplet solutions, as epsto 0. For this purpose, corresponding asymptotic eigenvalue problems with piecewise constant coefficients are constructed, such that their eigenvalue asymptotics can be determined analytically. A comparison with numerically computed eigenvalues and eigenfunctions shows good agreement with the asymptotic results and the existence of a spectrum gap to a single exponentially small eigenvalue for sufficiently small eps.
- ItemCenter manifold reduction approach for the lubrication equation(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2010) Kitavtsev, Georgy; Recke, Lutz; Wagner, BarbaraThe goal of this study is the reduction of the lubrication equation, modelling thin film dynamics, onto an approximate invariant manifold. The reduction is derived for the physical situation of the late phase evolution of a dewetting thin liquid film, where arrays of droplets connected by an ultrathin film of thickness eps undergo a slow-time coarsening dynamics. With this situation in mind, we construct an asymptotic approximation of the corresponding invariant manifold, that is parametrized by a family of droplet pressures and positions, in the limit when $epsto 0$. The approach is inspired by the paper by Mielke and Zelik [Mem. Amer. Math. Soc., Vol. 198, 2009], where the center manifold reduction was carried out for a class of semilinear systems. In this study this approach is considered for quasilinear degenerate parabolic PDE's such as lubrication equations. While it has previously been shown by Glasner and Witelski [Phys. Rev. E, Vol. 67, 2003], that the system of ODEs governing the coarsening dynamics, can be obtained via formal asymptotic methods, the center manifold reduction approach presented here, pursues the rigorous justification of this asymptotic limit.
- ItemCoarsening dynamics of slipping droplets(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2008) Kitavtsev, Georgy; Wagner, BarbaraThis paper studies the late phase dewetting process of nanoscopic thin polymer films on hydrophobized substrates using some recently derived lubrication models that take account of large slippage at the polymer-substrate interface. The late phase of this process is characterized by the slow-time coarsening dynamics of arrays of droplets that remain after rupture and the initial dewetting phases. For this situation a reduced system of ordinary differential equations is derived from the lubrication model for large slippage using asymptotic analysis. This extends known results for the no-slip case. On the basis of the reduced model, the role of the slippage as a control parameter for droplet migration is analysed and several new qualitative effects for the coarsening process are identified.
- ItemControlled topological transitions in thin film phase separation(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2013) Hennessy, Mathew G.; Burlakov, Victor M.; Münch, Andreas; Wagner, Barbara; Goriely, AlainIn this paper the evolution of a binary mixture in a thin-film geometry with a wall at the top and bottom is considered. Bringing the mixture into its miscibility gap so that no spinodal decomposition occurs in the bulk, a slight energetic bias of the walls towards each one of the constituents ensures the nucleation of thin boundary layers that grow until the constituents have moved into one of the two layers. These layers are separated by an interfacial region, where the composition changes rapidly. Conditions that ensure the separation into two layers with a thin interfacial region are investigated based on a phase-field model and using matched asymptotic expansions a corresponding sharp-interface problem for the location of the interface is established. It is then argued that a thus created two-layer system is not at its energetic minimum but destabilizes into a controlled self-replicating pattern of trapezoidal vertical stripes by minimizing the interfacial energy between the phases while conserving their area. A quantitative analysis of this mechanism is carried out via a new thin-film model for the free interfaces, which is derived asymptotically from the sharp-interface model.
- ItemDroplets on liquids and their long way into equilibrium(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2013) Bommer, Stefan; Jachalski, Sebastian; Peschka, Dirk; Seemann, Ralf; Wagner, BarbaraThe morphological paths towards equilibrium droplets during the late stages of the dewetting process of a liquid film from a liquid substrate is investigated experimentally and theoretically. As liquids, short chained polystyrene (PS) and polymethyl-methacrylate (PMMA) are used, which can be considered as Newontian liquids well above their glass transition temperatures. Careful imaging of the PS/air interface of the droplets during equilibration by in situ scanning force microscopy and the PS/PMMA interface after removal of the PS droplets reveal a surprisingly deep penetration of the PS droplets into the PMMA layer. Droplets of sufficiently small volumes develop the typical lens shape and were used to extract the ratio of the PS/air and PS/PMMA surface tensions and the contact angles by comparison to theoretical exact equilibrium solutions of the liquid/liquid system. Using these results in our dynamical thin-film model we find that before the droplets reach their equilibrium they undergo several intermediate stages each with a well-defined signature in shape. Moreover, the intermediate droplet shapes are independent of the details of the initial configuration, while the time scale they are reached depend strongly on the droplet volume. This is shown by the numerical solutions of the thin-film model and demonstrated by quantitative comparison to experimental results
- ItemDynamic formation of oriented patches in chondrocyte cell cultures(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2010) Grote, Marcus; Palumberi, Viviana; Wagner, Barbara; Barbero, Andrea; Martin, IvanGrowth factors have a significant impact not only on the growth dynamics but also on the phenotype of chondrocytes (Barbero et al. , J. Cell. Phys. 204, pp. 830-838, 2005). In particular, as chondrocyte populations approach confluence, the cells tend to align and form coherent patches. Starting from a mathematical model for fibroblast populations at equilibrium (Mogilner et al., Physica D 89, pp. 346-367, 1996), a dynamic continuum model with logistic growth is developed. Both linear stability analysis and numerical solutions of the time-dependent nonlinear integro-partial differential equation are used to identify the key parameters that lead to pattern formation in the model. The numerical results are compared quantitatively to experimental data by extracting statistical information on orientation, density and patch size through Gabor filters.
- ItemEquilibrium shapes of poly-crystalline silicon nanodots(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2013) Korzec, Maciek D.; Roczen, Maurizio; Schade, Martin; Wagner, Barbara; Rech, BerndThis study is concerned with the topography of nanostructures consisting of arrays of poly-crystalline nanodots. Guided by transmission electron microscopy (TEM) measurements of crystalline Si (c-Si) nanodots that evolved from a dewetting process of an amorphous Si (a-Si) layer from a SiO2 coated substrate, we investigate appropriate formulations for the surface energy density and transitions of energy density states at grain boundaries. We introduce a new numerical minimization formulation that allows to account for adhesion energy from an underlying substrate. We demonstrate our approach first for the free standing case, where the solutions can be compared to well-known Wulff constructions, before we treat the general case for interfacial energy settings that support partial wetting. We then use our method to predict the morphologies of poly-crystalline silicon nanodots.
- ItemGradient structures for flows of concentrated suspensions(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2018) Peschka, Dirk; Thomas, Marita; Ahnert, Tobias; Münch, Andreas; Wagner, BarbaraIn this work we investigate a two-phase model for concentrated suspensions. We construct a PDE formulation using a gradient flow structure featuring dissipative coupling between fluid and solid phase as well as different driving forces. Our construction is based on the concept of flow maps that also allows it to account for flows in moving domains with free boundaries. The major difference compared to similar existing approaches is the incorporation of a non-smooth twohomogeneous term to the dissipation potential, which creates a normal pressure even for pure shear flows.
- ItemImpact of energy dissipation on interface shapes and on rates for dewetting from liquid substrates([London] : Macmillan Publishers Limited, part of Springer Nature, 2018) Peschka, Dirk; Bommer, Stefan; Jachalski, Sebastian; Seemann, Ralf; Wagner, BarbaraWe revisit the fundamental problem of liquid-liquid dewetting and perform a detailed comparison of theoretical predictions based on thin-film models with experimental measurements obtained by atomic force microscopy. Specifically, we consider the dewetting of a liquid polystyrene layer from a liquid polymethyl methacrylate layer, where the thicknesses and the viscosities of both layers are similar. Using experimentally determined system parameters like viscosity and surface tension, an excellent agreement of experimentally and theoretically obtained rim profile shapes are obtained including the liquid-liquid interface and even dewetting rates. Our new energetic approach additionally allows to assess the physical importance of different contributions to the energy-dissipation mechanism, for which we analyze the local flow fields and the local dissipation rates. Using this approach, we explain why dewetting rates for liquid-liquid systems follow no universal power law, despite the fact that experimental velocities are almost constant. This is in contrast to dewetting scenarios on solid substrates and in contrast to previous results for liquid-liquid substrates using heuristic approaches.
- ItemImpact of interfacial slip on the stability of liquid two-layer polymer films(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2012) Jachalski, Sebastian; Peschka, Dirk; Münch, Andreas; Wagner, BarbaraIn this study systems of coupled thin-film models for two immiscible liquid polymer layers on a solid substrate that account for interfacial slip and intermolecular forces are derived. On the scale of tens to hundred nanometers such two-layer systems are susceptable to instability and may rupture and dewet. The stability of the two-layer system and its significant dependence on the order of magnitude of slip is investigated via these thin-film models. With no-slip at both, the liquid-liquid and liquid-solid interface and polymer layers of comparable thickness, the dispersion relation typically shows two local maxima, one in the long-wave regime and the other at moderate wavenumbers. The former is associated with perturbations that mainly affect the gas-liquid interface and the latter with higher relative perturbation amplitudes at the liquid-liquid interface. Slip at the liquid-liquid interface generally favors the former perturbations. However, when the liquid-liquid and the liquidsolid interface exhibit large slip, the maxima shift to small wavenumbers for increasing slip and hence may significantly change the spinodal patterns.
- ItemImpact of slippage on the morphology and stability of a dewetting rim(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2010) Münch, Andreas; Wagner, BarbaraIn this study lubrication theory is used to describe the stability and morphology of the rim that forms as a thin polymer film dewets from a hydrophobized silicon wafer. Thin film equations are derived from the governing hydrodynamic equations for the polymer to enable the systematic mathematical and numerical analysis of the properties of the solutions for different regimes of slippage and for a range of time scales. Dewetting rates and the cross sectional profiles of the evolving rims are derived for these models and compared to experimental results. Experiments also show that the rim is typically unstable in the spanwise direction and develops thicker and thinner parts that may grow into ``fingers''. Linear stability analysis as well as nonlinear numerical solutions are presented to investigate shape and growth rate of the rim instability. It is demonstrated that the difference in morphology and the rate at which the instability develops can be directly attributed to the magnitude of slippage. Finally, a derivation is given for the dominant wavelength of the bulges along the unstable rim.
- ItemInfluence of slip on the Rayleigh-Plateau rim instability in dewetting viscous films(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2013) Bäumchen, Oliver; Marquant, Ludovic; Blossey, Ralf; Münch, Andreas; Wagner, Barbara; Jacobs, KarinA dewetting viscous film develops a characteristic fluid rim at its receding edge due to mass conservation. In the course of the dewetting process the rim becomes unstable via an instability of Rayleigh-Plateau type. An important difference exists between this classic instability of a liquid column and the rim instability in the thin film as the growth of the rim is continuously fueled by the receding film. We explain how the development and macroscopic morphology of the rim instability are controlled by the slip of the film on the substrate. A single thin-film model captures quantitatively the characteristics of the evolution of the rim observed in our experiments.
- ItemInterface morphologies in liquid/liquid dewetting(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2010) Kostourou, Konstantina; Peschka, Dirk; Münch, Andreas; Wagner, Barbara; Herminghaus, Stephan; Seemann, RalfThe dynamics and morphology of a liquid polystyrene (PS) film on the scale of a hundred nanometer dewetting from a liquid polymethylmethacrylate (PMMA) film is investigated experimentally and theoretically. The polymers considered here are both below their entanglement lengths and have negligible elastic properties. A theoretical model based on viscous Newtonian flow for both polymers is set up from which a system of coupled lubrication equations is derived and solved numerically. A direct comparison of the numerical solution with the experimental findings for the characteristic signatures of the cross-sections of liquid/air and liquid/liquid phase boundaries of the dewetting rims as well as the dewetting rates is performed and discussed for various viscosity ratios of the PS and PMMA layers.
- ItemA kinetic model of a polyelectrolyte gel undergoing phase separation(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Celora, Giulia L.; Hennessy, Matthew G.; Münch, Andreas; Wagner, Barbara; Waters, Sarah L.In this study we use non-equilibrium thermodynamics to systematically derive a phase-field model of a polyelectrolyte gel coupled to a thermodynamically consistent model for the salt solution surrounding the gel. The governing equations for the gel account for the free energy of the internal interfaces which form upon phase separation, as well as finite elasticity and multi-component transport. The fully time-dependent model describes the evolution of small changes in the mobile ion concentrations and follows their impact on the large-scale solvent flux and the emergence of long-time pattern formation in the gel. We observe a strong acceleration of the evolution of the free surface when the volume phase transition sets in, as well as the triggering of spinodal decomposition that leads to strong inhomogeneities in the lateral stresses, potentially leading to experimentally visible patterns.
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