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Author: Dreyer, Wolfgang × End date: 2019 × Start date: 2019 × Type: Text ×

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    Analysis of improved Nernst-Planck-Poisson models of compressible isothermal electrolytes. Part II: Approximation and a priori estimates
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2017) Dreyer, Wolfgang; Druet, Pierre-Étienne; Gajewski, Paul; Guhlke, Clemens
    We consider an improved NernstPlanckPoisson model first proposed by Dreyer et al. in 2013 for compressible isothermal electrolytes in non equilibrium. The model takes into account the elastic deformation of the medium that induces an inherent coupling of mass and momentum transport. The model consists of convectiondiffusionreaction equations for the constituents of the mixture, of the Navier-Stokes equation for the barycentric velocity, and of the Poisson equation for the electrical potential. Due to the principle of mass conservation, crossdiffusion phenomena must occur and the mobility matrix (Onsager matrix) has a kernel. In this paper, which continues the investigation of [DDGG17a], we derive for thermodynamically consistent approximation schemes the natural uniform estimates associated with the dissipations. Our results essentially improve our former study [DDGG16], in particular the a priori estimates concerning the relative chemical potentials.
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    The impact of solvation and dissociation on the transport parameters of liquid electrolytes: Continuum modeling and numerical study
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2018) Dreyer, Wolfgang; Guhlke, Clemens; Müller, Rüdiger
    Electro-thermodynamics provides a consistent framework to derive continuum models for electrochemical systems. For the application to a specific experimental system, the general model must be equipped with two additional ingredients: a free energy model to calculate the chemical potentials and a kinetic model for the kinetic coefficients. Suitable free energy models for liquid electrolytes incorporating ion-solvent interaction, finite ion sizes and solvation already exist and have been validated against experimental measurements. In this work, we focus on the modeling of the mobility coefficients based on MaxwellStefan setting and incorporate them into the general electro-thermodynamic framework. Moreover, we discuss the impact of model parameter on conductivity, transference numbers and salt diffusion coefficient. In particular, the focus is set on the solvation of ions and incomplete dissociation of a non-dilute electrolyte.
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    Analysis of improved Nernst-Planck-Poisson models of compressible isothermal electrolytes. Part I: Derivation of the model and survey of the results
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2017) Dreyer, Wolfgang; Druet, Pierre-Étienne; Gajewski, Paul; Guhlke, Clemens
    We consider an improved NernstPlanckPoisson model first proposed by Dreyer et al. in 2013 for compressible isothermal electrolytes in non equilibrium. The model takes into account the elastic deformation of the medium that induces an inherent coupling of mass and momentum transport. The model consists of convectiondiffusionreaction equations for the constituents of the mixture, of the Navier-Stokes equation for the barycentric velocity, and of the Poisson equation for the electrical potential. Due to the principle of mass conservation, crossdiffusion phenomena must occur and the mobility matrix (Onsager matrix) has a kernel. In this paper we establish the existence of a globalintime weak solution for the full model, allowing for a general structure of the mobility tensor and for chemical reactions with highly non linear rates in the bulk and on the active boundary. We characterise the singular states of the system, showing that the chemical species can vanish only globally in space, and that this phenomenon must be concentrated in a compact set of measure zero in time. With respect to our former study [DDGG16], we also essentially improve the a priori estimates, in particular concerning the relative chemical potentials.
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    A model for the austenite-ferrite phase transition in steel including misfit stress
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2008) Dreyer, Wolfgang; Hömberg, Dietmar; Petzold, Thomas
    We present a thermodynamically consistent model to describe the austenite-ferrite phase transition in steel. We consider the influence of the mechanical displacement field due to eigenstrains caused by volumetric expansion. The model equations are derived in a systematical framework. They are based on the conservation laws for mass and momentum and the second law of thermodynamics. By means of numerical computations for a simplified interface controlled model, we examine the influence of the mechanical contributions to the transformation kinetics and the equilibrium states.
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    Wave trains, solitons and modulation theory in FPU chains
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2006) Dreyer, Wolfgang; Herrmann, Michael; Rademacher, Jens D.M.
    We present an overview of recent results concerning wave trains, solitons and their modulation in FPU chains. We take a thermodynamic perspective and use hyperbolic scaling of particle index and time in order to pass to a macroscopic continuum limit. While strong convergence yields the well-known p-system of mass and momentum conservation, we generally obtain a weak form of it in terms of Young measures. The modulation approach accounts for microscopic oscillations, which we interpret as temperature, causing convergence only in a weak, average sense. We present the arising Whitham modulation equations in a thermodynamic form, as well as analytic and numerical tools for the resolution of the modulated wave trains. As a prototype for the occurrence of temperature from oscillation-free initial data, we discuss various Riemann problems, and the arising dispersive shock fans, which replace Lax-shocks. We predict scaling and jump conditions assuming a generic soliton at the shock front.
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    Mean field diffusion models for precipitation in crystalline GaAs including surface tension and bulk stresses
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2009) Dreyer, Wolfgang; Kimmerle, Sven-Joachim
    Based on a thermodynamically consistent model for precipitation in gallium arsenide crystals including surface tension and bulk stresses by Dreyer and Duderstadt, we propose different mathematical models to describe the size evolution of liquid droplets in a crystalline solid. The first class of models treats the diffusion-controlled regime of interface motion, while the second class is concerned with the interface-controlled regime of interface motion. Our models take care of conservation of mass and substance. We consider homogenised models, where different length scales of the experimental situation have been exploited in order to simplify the equations. These homogenised models generalise the well-known Lifshitz-Slyozov-Wagner model for Ostwald ripening. Mean field models capture the main properties of our system and are well adapted for numerics and further analysis. Numerical evidence suggests in which case which one of the two regimes might be appropriate to the experimental situation.
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    Sharp limit of the viscous Cahn-Hilliard equation and thermodynamic consistency
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2013) Dreyer, Wolfgang; Guhlke, Clemens
    Diffuse and sharp interface models represent two alternatives to describe phase transitions with an interface between two coexisting phases. The two model classes can be independently formulated. Thus there arises the problem whether the sharp limit of the diffuse model fits into the setting of a corresponding sharp interface model. We call a diffuse model admissible if its sharp limit produces interfacial jump conditions that are consistent with the balance equations and the 2nd law of thermodynamics for sharp interfaces. We use special cases of the viscous Cahn- Hilliard equation to show that there are admissible as well as non-admissible diffuse interface models.
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    On unwanted nucleation phenomena at the wall of a VGF chamber
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2008) Dreyer, Wolfgang; Duderstadt, Frank; Eichler, Stefan; Naldzhieva, Margarita
    This is preliminary study on a phenomenon that happens during crystal growth of GaAs in a vertical gradient freeze (VGF) device. Here unwanted polycrystals nucleate at the chamber wall and move into the interior of the crystal. This happens within an undercooled region in the vicinity of the triple point, where the liquid-solid interface meets the chamber wall. The size and shape of that region is modelled by the Gibbs-Thomson law, which will be rederived in this paper. Hereafter we identify the crucial parameter, whose proper adjustment may minimize the undercooled region.
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    Asymptotic analysis for Korteweg models
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2010) Dreyer, Wolfgang; Giesselmann, Jan; Kraus, Christiane; Rohde, Christiane
    This paper deals with a sharp interface limit of the isothermal Navier-Stokes-Korteweg system. The sharp interface limit is performed by matched asymptotic expansions of the fields in powers of the interface width. These expansions are considered in the interfacial region (inner expansions) and in the bulk (outer expansion) and are matched order by order. Particularly we consider the first orders of the corresponding inner equations obtained by a change of coordinates in an interfacial layer. For a specific scaling we establish solvability criteria for these inner equations and recover the results within the general setting of jump conditions for sharp interface models.
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    On phase change of a vapor bubble in liquid water
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2009) Dreyer, Wolfgang; Duderstadt, Frank; Hantke, Maren; Warnecke, Gerald
    We consider a bubble of vapor and inert gas surrounded by the corresponding liquid phase. We study the behavior of the bubble due to phase change, i.e. condensation and evaporation, at the interface. Special attention is given to the effects of surface tension and heat production on the bubble dynamics as well as the propagation of acoustic elastic waves by including slight compressibility of the liquid phase. Separately we study the influence of the three phenomena heat conduction, elastic waves, and phase transition on the evolution of the bubble. The objective is to derive relations including the mass, momentum, and energy transfer between the phases. We find ordinary differential equations, in the cases of heat transfer and the emission of acoustic waves partial differential equations, that describe the bubble dynamics. From numerical evidence we deduce that the effect of phase transition and heat transfer on the behavior of the radius of the bubble is negligible. It turns out that the elastic waves in the liquid are of greatest importance to the dynamics of the bubble radius. The phase transition has a strong influence on the evolution of the temperature, in particular at the interface. Furthermore the phase transition leads to a drastic change of the water content in the bubble, so that a rebounding bubble is only possible, if it contains in addition an inert gas. In a forthcoming paper the equations derived are sought in order to close equations for multi-phase mixture balance laws for dispersed bubbles in liquids involving phase change. Also the model is used to make comparisons with experimental data on the oscillation of a laser induced bubble. For this case it was necessary to include the effect of an inert gas in the thermodynamic modeling of the phase transition