Browsing by Author "Peschka, Dirk"
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- ItemChallenges for drift-diffusion simulations of semiconductors: A comparative study of different discretization philosophies(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2018) Farrell, Patricio; Peschka, DirkWe analyze and benchmark the error and the convergence order of finite difference, finite-element as well as Voronoi finite-volume discretization schemes for the drift-diffusion equations describing charge transport in bulk semiconductor devices. Three common challenges, that can corrupt the precision of numerical solutions, will be discussed: boundary layers at Ohmic contacts, discontinuties in the doping profile, and corner singularities in L-shaped domains. The influence on the order of convergence is assessed for each computational challenge and the different discretization schemes. Additionally, we provide an analysis of the inner boundary layer asymptotics near Ohmic contacts to support our observations.
- ItemDoping optimization for optoelectronic devices(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2018) Peschka, Dirk; Rotundo, Nella; Thomas, MaritaWe present a mathematical and numerical framework for the optimal design of doping profiles for optoelectronic devices using methods from mathematical optimization. With the goal to maximize light emission and reduce the thresholds of an edge-emitting laser, we consider a driftdiffusion model for charge transport and include modal gain and total current into a cost functional, which we optimize in cross sections of the emitter. We present 1D and 2D results for exemplary setups that point out possible routes for device improvement.
- 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
- ItemDynamics of particle settling and resuspension in viscous liquids(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2012) Murisic, Nebojsa; Pausader, Benoit; Peschka, Dirk; Bertozzi, Andrea L.We derive and study a dynamical model for suspensions of negatively buoyant particles on an incline. Our theoretical model includes the settling/sedimentation due to gravity as well as the resuspension of particles induced by shear-induced migration, leading to disaggregation of the dense sediment layer. Out of the three different regimes observed in the experiments, we focus on the so-called settled case, where the particles settle out of the flow, and two distinct fronts, liquid and particle, form. Using an approach relying on asymptotics, we systematically connect our dynamic model with the previously developed equilibrium theory for particle-laden flows. We show that the resulting transport equations for the liquid and the particles are of hyperbolic type, and study the dilute limit, for which we derive the analytic solution. We also carry out a systematic experimental study of the settled regime, focusing on the motion of the liquid and the particle fronts. Finally, we carry out numerical simulations of our transport equations. We show that the model predictions for small to moderate values of the particle volume fraction and the inclination angle of the solid substrate agree well with the experimental data.
- ItemGENERIC framework for reactive fluid flows(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2021) Zafferi, Andrea; Peschka, Dirk; Thomas, MaritaWe describe reactive fluid flows in terms of the formalism General Equation for Non-Equilibrium Reversible-Irreversible Coupling also known as GENERIC. Together with the formalism, we present the thermodynamical and mechanical foundations for the treatment of fluid flows using continuous fields and present a clear relation and transformation between a Lagrangian and an Eulerian formulation of the corresponding systems of partial differential equations. We bring the abstract framework to life by providing many physically relevant examples for reactive compressive fluid flows.
- ItemGradient flow perspective of thin-film bilayer flows(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2013) Huth, Robert; Jachalski, Sebastian; Kitavtsev, Georgy; Peschka, DirkWe study gradient flow formulations of thin-film bilayer flows with triple-junctions between liquid/liquid/air. First we highlight the gradient structure in the Stokes free-boundary flow and identify its solutions with the well-known PDE with boundary conditions. Next we propose a similar gradient formulation for the corresponding thin-film model and formally identify solutions with those of the corresponding free-boundary problem. A robust numerical algorithm for the thin-film gradient flow structure is then provided. Using this algorithm we compare the sharp triple-junction model with precursor models. For their stationary solutions a rigorous connection is established using [Gamma]-convergence. For time-dependentsolutions the comparison of numerical solutions shows a good agreement for small and moderate times. Finally we study spreading in the zero-contact angle case, where we compare numerical solutions with asymptotically exact source-type solutions.
- ItemGradient flows for coupling order parameters and mechanics(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2022) Schmeller, Leonie; Peschka, DirkWe construct a formal gradient flow structure for phase-field evolution coupled to mechanics in Lagrangian coordinates, present common ways to couple the evolution and provide an incremental minimization strategy. While the usual presentation of continuum mechanics is intentionally very brief, the focus of this paper is on an extensible functional analytical framework and a discretization approach that preserves an appropriate variational structure as much as possible. As examples, we first present phase separation and swelling of gels and then the approach of stationary states of multiphase systems with surface tension and show the robustness of the general approach.
- ItemGradient structure for optoelectronic models of semiconductors(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2016) Mielke, Alexander; Peschka, Dirk; Rotundo, Nella; Thomas, MaritaWe derive an optoelectronic model based on a gradient formulation for the relaxation of electron-, hole- and photon- densities to their equilibrium state. This leads to a coupled system of partial and ordinary differential equations, for which we discuss the isothermal and the non-isothermal scenario separately.
- 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.
- ItemHydrodynamics at the moving contact line(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2022) Giri, Amal K.; Malgaretti, Paolo; Peschka, Dirk; Sega, MarcelloBy removing the smearing effect of capillary waves in molecular dynamics simulations we are able to provide a microscopic picture of the region around the moving contact line (MCL) at an unprecedented resolution. On this basis, we show that the continuum character of the velocity field is unaffected by molecular layering down to below the molecular scale. The solution of the continuum Stokes problem with MCL and Navier-slip matches very well the molecular dynamics data and is consistent with a slip-length of 42 Å and small contact line dissipation. This is consistent with observations of the local force balance near the liquid-solid interface.
- 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.
- 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.
- ItemLiquid-liquid dewetting: Morphologies and rates(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2016) Bommer, Stefan; Seemann, Ralf; Jachalski, Sebastian; Peschka, Dirk; Wagner, BarbaraThe dependence of the dissipation on the local details of the flow field of a liquid polymer film dewetting from a liquid polymer substrate is shown, solving the free boundary problem for a two-layer liquid system. As a key result we show that the dewetting rates of such a liquid bi-layer system can not be described by a single power law but shows transient behaviour of the rates, changing from increasing to decreasing behaviour. The theoretical predictions on the evolution of morphology and rates of the free surfaces and free interfaces are compared to measurements of the evolution of the polystyrene(PS)-air, the polymethyl methacrylate (PMMA)-air and the PS-PMMA interfaces using in situ atomic force microscopy (AFM), and they show excellent agreement.
- ItemModel hierarchies and higher-order discretisation of time-dependent thin-film free boundary problems with dynamic contact angle(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2021) Peschka, Dirk; Heltai, LucaWe present a mathematical and numerical framework for the physical problem of thin-film fluid flows over planar surfaces including dynamic contact angles. In particular, we provide algorithmic details and an implementation of higher-order spatial and temporal discretisation of the underlying free boundary problem using the finite element method. The corresponding partial differential equation is based on a thermodynamic consistent energetic variational formulation of the problem using the free energy and viscous dissipation in the bulk, on the surface, and at the moving contact line. Model hierarchies for limits of strong and weak contact line dissipation are established, implemented and studied. We analyze the performance of the numerical algorithm and investigate the impact of the dynamic contact angle on the evolution of two benchmark problems: gravity-driven sliding droplets and the instability of a ridge.
- ItemNumerics of thin-film free boundary problems for partial wetting(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2014) Peschka, DirkWe present a novel framework to solve thin-film equations with an explicit non-zero contact angle, where the support of the solution is treated as an unknown. The algorithm uses a finite element method based on a gradient formulation of the thin-film equations coupled to an arbitrary Lagrangian-Eulerian method for the motion of the support. Features of this algorithm are its simplicity and robustness. We apply this algorithm in 1D and 2D to problems with surface tension, contact angles and with gravity.
- ItemOn the spinodal dewetting of thin liquid bilayers(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2021) Shiri, Roghayeh; Schmeller, Leonie; Seemann, Ralf; Peschka, Dirk; Wagner, BarbaraWe investigate the spinodal dewetting of a thin liquid polystyrene (PS) film on a liquid polymethylmethacrylate (PMMA) subtrate. Following the evolution of the corrugations of the PS film via in situ measurements by atomic force microscopy (AFM) and those of the PS-PMMA interface via ex situ imaging, we provide a direct and detailed comparison of the experimentally determined spinodal wavelengths with the predictions from linear stability analysis of a thin-film continuum model for the bilayer system. The impact of rough interfaces and fluctuations is studied theoretically by investigating the impact of different choices of initial data on the unstable wavelength and on the rupture time. The key factor is the mode selection by initial data perturbed with correlated colored noise in the linearly unstable regime, which becomes relevant only for liquid bilayers to such an extent. By numerically solving the mathematical model, we further address the impact of nonlinear effects on rupture times and on the morphological evolution of the interfaces in comparison with experimental results.
- ItemOptimization of a multiphysics problem in semiconductor laser design(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2018) Adam, Lukáš; Hintermüller, Michael; Peschka, Dirk; Surowiec, Thomas M.A @multimaterial topology optimization framework is suggested for the simultaneous optimization of mechanical and optical properties to be used in the development of optoelectronic devices. Based on the physical aspects of the underlying device, a nonlinear multiphysics model for the elastic and optical properties is proposed. Rigorous proofs are provided for the sensitivity of the fundamental mode of the device with respect to the changes in the underlying topology. After proving existence and optimality results, numerical experiments leading to an optimal material distribution for maximizing the strain in a Ge-on-Si microbridge are given. The highly favorable electronic properties of this design are demonstrated by steady-state simulations of the corresponding van Roosbroeck (drift-diffusion) system.
- ItemSelf-similar rupture of viscous thin films in the strong slip regime(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2009) Peschka, Dirk; Münch, Andreas; Niethammer, BarbaraWe consider rupture of thin viscous films in the strong-slip regime with small Reynolds numbers. Numerical simulations indicate that near the rupture point viscosity and van-der-Waals forces are dominant and that there are self-similar solutions of the second kind. For a corresponding simplified model we rigorously analyse self-similar behaviour. There exists a one-parameter family of self-similar solutions and we establish necessary and sufficient conditions for convergence to any self-similar solution in a certain parameter regime. We also present a conjecture on the domains of attraction of all self-similar solutions which is supported by numerical simulations.
- ItemSignatures of slip in dewetting polymer films(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2018) Peschka, Dirk; Haefner, Sabrina; Jacobs, Karin; Münch, Andreas; Wagner, BarbaraThin liquid polymer films on hydrophobic substrates are susceptable to rupture and formation of holes, which in turn initiate a complex dewetting process that eventually evolves into characteristic stationary droplet patterns. Experimental and theoretical studies suggest that the specific type of droplet pattern largely depends on the nature of the polymer-substrate boundary condition. To follow the morphological evolution numerically over long time scales and for the multiple length scales involved has so far been a major challenge. In this study a highly adaptive finite-element based numerical scheme is presented that allows for large-scale simulations to follow the evolution of the dewetting process deep into the nonlinear regime of the model equations, capturing the complex dynamics including shedding of droplets. In addition, the numerical results predict the previouly unknown shedding of satellite droplets during the destabilisation of liquid ridges, that form during the late stages of the dewetting process. While the formation of satellite droplets is well-known in the context of elongating fluid filaments and jets, we show here that for dewetting liquid ridges this property can be dramatically altered by the interfacial condition between polymer and substrate, namely slip.