Browsing by Author "Fuhrmann, Jürgen"
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- Item3D electrothermal simulations of organic LEDs showing negative differential resistance(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2017) Liero, Matthias; Fuhrmann, Jürgen; Glitzky, Annegret; Koprucki, Thomas; Fischer, Axel; Reineke, SebastianOrganic semiconductor devices show a pronounced interplay between temperature-activated conductivity and self-heating which in particular causes inhomogeneities in the brightness of large-area OLEDs at high power. We consider a 3D thermistor model based on partial differential equations for the electrothermal behavior of organic devices and introduce an extension to multiple layers with nonlinear conductivity laws, which also take the diode-like behavior in recombination zones into account. We present a numerical simulation study for a red OLED using a finite-volume approximation of this model. The appearance of S-shaped current-voltage characteristics with regions of negative differential resistance in a measured device can be quantitatively reproduced. Furthermore, this simulation study reveals a propagation of spatial zones of negative differential resistance in the electron and hole transport layers toward the contact.
- ItemAssessing the quality of the excess chemical potential flux scheme for degenerate semiconductor device simulation(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Abdel, Dilara; Farrell, Patricio; Fuhrmann, JürgenThe van Roosbroeck system models current flows in (non-)degenerate semiconductor devices. Focusing on the stationary model, we compare the excess chemical potential discretization scheme, a flux approximation which is based on a modification of the drift term in the current densities, with another state-of-the-art Scharfetter-Gummel scheme, namely the diffusion-enhanced scheme. Physically, the diffusion-enhanced scheme can be interpreted as a flux approximation which modifies the thermal voltage. As a reference solution we consider an implicitly defined integral flux, using Blakemore statistics. The integral flux refers to the exact solution of a local two point boundary value problem for the continuous current density and can be interpreted as a generalized Scharfetter-Gummel scheme. All numerical discretization schemes can be used within a Voronoi finite volume method to simulate charge transport in (non-)degenerate semiconductor devices. The investigation includes the analysis of Taylor expansions, a derivation of error estimates and a visualization of errors in local flux approximations to extend previous discussions. Additionally, drift-diffusion simulations of a p-i-n device are performed.
- ItemAn assessment of discretizations for convection-dominated convection-diffusion equations(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2011) Augustin, Matthias; Caiazzo, Alfonso; Fiebach, André; Fuhrmann, Jürgen; John, Volker; Linke, Alexander; Umla, RudolfThe performance of several numerical schemes for discretizing convection-dominated convection-diffusion equations will be investigated with respect to accuracy and efficiency. Accuracy is considered in measures which are of interest in applications. The study includes an exponentially fitted finite volume scheme, the Streamline-Upwind Petrov--Galerkin (SUPG) finite element method, a spurious oscillations at layers diminishing (SOLD) finite element method, a finite element method with continuous interior penalty (CIP) stabilization, a discontinuous Galerkin (DG) finite element method, and a total variation diminishing finite element method (FEMTVD). A detailed assessment of the schemes based on the Hemker example will be presented.
- ItemComparison and numerical treatment of generalised Nernst-Planck models(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2014) Fuhrmann, JürgenIn its most widespread, classical formulation, the Nernst-Planck-Poisson system for ion transport in electrolytes fails to take into account finite ion sizes. As a consequence, it predicts unphysically high ion concentrations near electrode surfaces. Historical and recent approaches to an approriate modification of the model are able to fix this problem. Several appropriate formulations are compared in this paper. The resulting equations are reformulated using absolute activities as basic variables describing the species amounts. This reformulation allows to introduce a straightforward generalisation of the Scharfetter-Gummel finite volume discretization scheme for drift-diffusion equations. It is shown that it is thermodynamically consistent in the sense that the solution of the corresponding discretized generalized Poisson-Boltzmann system describing the thermodynamical equilibrium is a stationary state of the discretized time-dependent generalized Nerns-Planck system. Numerical examples demonstrate the improved physical correctness of the generalised models and the feasibility of the numerical approach.
- ItemComparison of thermodynamically consistent charge carrier flux discretizations for Fermi-Dirac and Gauss-Fermi statistics(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2017) Farrell, Patricio; Patriarca, Matteo; Fuhrmann, Jürgen; Koprucki, ThomasWe compare three thermodynamically consistent ScharfetterGummel schemes for different distribution functions for the carrier densities, including the FermiDirac integral of order 1/2 and the GaussFermi integral. The most accurate (but unfortunately also most costly) generalized ScharfetterGummel scheme requires the solution of an integral equation. We propose a new method to solve this integral equation numerically based on Gauss quadrature and Newtons method. We discuss the quality of this approximation and plot the resulting currents for FermiDirac and GaussFermi statistics. Finally, by comparing two modified (diffusion-enhanced and inverse activity based) ScharfetterGummel schemes with the more accurate generalized scheme, we show that the diffusion-enhanced ansatz leads to considerably lower flux errors, confirming previous results (J. Comp. Phys. 346:497-513, 2017).
- ItemComputational and analytical comparison of flux discretizations for the semiconductor device equations beyond Boltzmann statistics(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2016) Farrell, Patricio; Koprucki, Thomas; Fuhrmann, JürgenFor a Voronoi finite volume discretization of the van Roosbroeck system with general charge carrier statistics we compare three thermodynamically consistent numerical fluxes known in the literature. We discuss an extension of the Scharfetter-Gummel scheme to non-Boltzmann (e.g. Fermi-Dirac) statistics. It is based on the analytical solution of a two-point boundary value problem obtained by projecting the continuous differential equation onto the interval between neighboring collocation points. Hence, it serves as a reference flux. The exact solution of the boundary value problem can be approximated by computationally cheaper fluxes which modify certain physical quantities. One alternative scheme averages the nonlinear diffusion (caused by the non-Boltzmann nature of the problem), another one modifies the effective density of states. To study the differences between these three schemes, we analyze the Taylor expansions, derive an error estimate, visualize the flux error and show how the schemes perform for a carefully designed p-i-n benchmark simulation. We present strong evidence that the flux discretization based on averaging the nonlinear diffusion has an edge over the scheme based on modifying the effective density of states.
- ItemA continuum model for yttria-stabilised zirconia incorporating triple phase boundary, lattice structure and immobile oxide ions(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2019) Vágner, Petr; Guhlke, Clemens; Miloš, Vojtěch; Müller, Rüdiger; Fuhrmann, JürgenA continuum model for yttria-stabilised zirconia (YSZ) in the framework of non-equilibrium thermodynamics is developed. Particular attention is given to i) modeling of the YSZ-metal-gas triple phase boundary, ii) incorporation of the lattice structure and immobile oxide ions within the free energy model and iii) surface reactions. A finite volume discretization method based on modified Scharfetter-Gummel fluxes is derived in order to perform numerical simulations. The model is used to study the impact of yttria and immobile oxide ions on the structure of the charged boundary layer and the double layer capacitance. Cyclic voltammograms of an air-half cell are simulated to study the effect of parameter variations on surface reactions, adsorption and anion diffusion.
- ItemA continuum model for yttria-stabilized zirconia incorporating triple phase boundary, lattice structure and immobile oxide ions(Berlin ; Heidelberg ; New York : Springer, 2019) Vágner, Petr; Guhlke, Clemens; Miloš, Vojtěch; Müller, Rüdiger; Fuhrmann, JürgenA continuum model for yttria-stabilized zirconia (YSZ) in the framework of non-equilibrium thermodynamics is developed. Particular attention is given to (i) modeling of the YSZ-metal-gas triple phase boundary, (ii) incorporation of the lattice structure and immobile oxide ions within the free energy model and (iii) surface reactions. A finite volume discretization method based on modified Scharfetter-Gummel fluxes is derived in order to perform numerical simulations. The model is used to study the impact of yttria and immobile oxide ions on the structure of the charged boundary layer and the double layer capacitance. Cyclic voltammograms of an air-half cell are simulated to study the effect of parameter variations on surface reactions, adsorption and anion diffusion. © 2019, The Author(s).
- ItemConvergence of a finite volume scheme to the eigenvalues of a Schrödinger operator(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2007) Koprucki, Thomas; Eymard, Robert; Fuhrmann, JürgenWe consider the approximation of a Schrödinger eigenvalue problem arising from the modeling of semiconductor nanostructures by a finite volume method in a bounded domain $OmegasubsetR^d$. In order to prove its convergence, a framework for finite dimensional approximations to inner products in the Sobolev space $H^1_0(Omega)$ is introduced which allows to apply well known results from spectral approximation theory. This approach is used to obtain convergence results for a classical finite volume scheme for isotropic problems based on two point fluxes, and for a finite volume scheme for anisotropic problems based on the consistent reconstruction of nodal fluxes. In both cases, for two- and three-dimensional domains we are able to prove first order convergence of the eigenvalues if the corresponding eigenfunctions belong to $H^2(Omega)$. The construction of admissible meshes for finite volume schemes using the Delaunay-Voronoï method is discussed. As numerical examples, a number of one-, two- and three-dimensional problems relevant to the modeling of semiconductor nanostructures is presented. In order to obtain analytical eigenvalues for these problems, a matching approach is used. To these eigenvalues, and to recently published highly accurate eigenvalues for the Laplacian in the L-shape domain, the results of the implemented numerical method are compared. In general, for piecewise $H^2$ regular eigenfunctions, second order convergence is observed experimentally.
- ItemDrift-diffusion simulation of S-shaped current-voltage relations for organic semiconductor devices(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2019) Doan, Duy Hai; Fischer, Axel; Fuhrmann, Jürgen; Glitzky, Annegret; Liero, MatthiasWe present an electrothermal drift-diffusion model for organic semiconductor devices with Gauss-Fermi statistics and positive temperature feedback for the charge carrier mobilities. We apply temperature dependent Ohmic contact boundary conditions for the electrostatic potential and discretize the system by a finite volume based generalized Scharfetter-Gummel scheme. Using path-following techniques we demonstrate that the model exhibits S-shaped current-voltage curves with regions of negative differential resistance, which were only recently observed experimentally.
- ItemDrift–diffusion simulation of S-shaped current–voltage relations for organic semiconductor devices(Dordrecht : Springer Science + Business Media B.V., 2020) Doan, Duy Hai; Fischer, Axel; Fuhrmann, Jürgen; Glitzky, Annegret; Liero, MatthiasWe present an electrothermal drift–diffusion model for organic semiconductor devices with Gauss–Fermi statistics and positive temperature feedback for the charge carrier mobilities. We apply temperature-dependent Ohmic contact boundary conditions for the electrostatic potential and discretize the system by a finite volume based generalized Scharfetter–Gummel scheme. Using path-following techniques, we demonstrate that the model exhibits S-shaped current–voltage curves with regions of negative differential resistance, which were only recently observed experimentally. © 2020, The Author(s).
- ItemEfficient coupling of electro-optical and heat-transport models for broad-area semiconductor lasers(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2018) Radziunas, Mindaugas; Fuhrmann, Jürgen; Zeghuzi, Anissa; Wünsche, Hans-Jürgen; Koprucki, Thomas; Brée, Carsten; Wenzel, Hans; Bandelow, UweIn this work, we discuss the modeling of edge-emitting high-power broad-area semiconductor lasers. We demonstrate an efficient iterative coupling of a slow heat transport (HT) model defined on multiple vertical-lateral laser cross-sections with a fast dynamic electro-optical (EO) model determined on the longitudinal-lateral domain that is a projection of the device to the active region of the laser. Whereas the HT-solver calculates temperature and thermally-induced refractive index changes, the EO-solver exploits these distributions and provides time-averaged field intensities, quasi-Fermi potentials, and carrier densities. All these time-averaged distributions are used repetitively by the HT-solver for the generation of the heat sources entering the HT problem solved in the next iteration step.
- ItemEfficient coupling of inhomogeneous current spreading and dynamic electro-optical models for broad-area edge-emitting semiconductor devices(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2017) Radziunas, Mindaugas; Zeghuzi, Anissa; Fuhrmann, Jürgen; Koprucki, Thomas; Wünsche, Hans-Jürgen; Wenzel, Hans; Bandelow, UweWe extend a 2 (space) + 1 (time)-dimensional traveling wave model for broad-area edgeemitting semiconductor lasers by a model for inhomogeneous current spreading from the contact to the active zone of the laser. To speedup the performance of the device simulations, we suggest and discuss several approximations of the inhomogeneous current density in the active zone.
- ItemElectronic states in semiconductor nanostructures and upscaling to semi-classical models(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2006) Koprucki, Thomas; Kaiser, Hans-Christoph; Fuhrmann, JürgenIn semiconductor devices one basically distinguishes three spatial scales: The atomistic scale of the bulk semiconductor materials (sub-Angstroem), the scale of the interaction zone at the interface between two semiconductor materials together with the scale of the resulting size quantization (nanometer) and the scale of the device itself (micrometer). The paper focuses on the two scale transitions inherent in the hierarchy of scales in the device. We start with the description of the band structure of the bulk material by kp Hamiltonians on the atomistic scale. We describe how the envelope function approximation allows to construct kp Schroedinger operators describing the electronic states at the nanoscale which are closely related to the kp Hamiltonians. Special emphasis is placed on the possible existence of spurious modes in the kp Schroedinger model on the nanoscale which are inherited from anomalous band bending on the atomistic scale. We review results of the mathematical analysis of these multi-band kp Schroedinger operators. Besides of the confirmation of the main facts about the band structure usually taken for granted ...
- ItemElectrothermal Tristability Causes Sudden Burn-In Phenomena in Organic LEDs(Weinheim : Wiley-VCH, 2021) Kirch, Anton; Fischer, Axel; Liero, Matthias; Fuhrmann, Jürgen; Glitzky, Annegret; Reineke, SebastianOrganic light-emitting diodes (OLEDs) have been established as a mature display pixel technology. While introducing the same technology in a large-area form factor to general lighting and signage applications, some key questions remain unanswered. Under high-brightness conditions, OLED panels were reported to exhibit nonlinear electrothermal behavior causing lateral brightness inhomogeneities and even regions of switched-back luminance. Also, the physical understanding of sudden device failure and burn-ins is still rudimentary. A safe and stable operation of lighting tiles, therefore, requires an in-depth understanding of these physical phenomena. Here, it is shown that the electrothermal treatment of thin-film devices allows grasping the underlying physics. Configurations of OLEDs with different lateral dimensions are studied as a role model and it is reported that devices exceeding a certain panel size develop three stable, self heating-induced operating branches. Switching between them causes the sudden formation of dark spots in devices without any preexisting inhomogeneities. A current-stabilized operation mode is commonly used in the lighting industry, as it ensures degradation-induced voltage adjustments. Here, it is demonstrated that a tristable operation always leads to destructive switching, independent of applying constant currents or voltages. With this new understanding of the effects at high operation brightness, it will be possible to adjust driving schemes accordingly, design more resilient system integrations, and develop additional failure mitigation strategies. © 2021 The Authors. Advanced Functional Materials published by Wiley-VCH GmbH
- ItemEntropy and convergence analysis for two finite volume schemes for a Nernst--Planck--Poisson system with ion volume constraints(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2021) Gaudeul, Benoît; Fuhrmann, JürgenIn this paper, we consider a drift-diffusion system with cross-coupling through the chemical potentials comprising a model for the motion of finite size ions in liquid electrolytes. The drift term is due to the self-consistent electric field maintained by the ions and described by a Poisson equation. We design two finite volume schemes based on different formulations of the fluxes. We also provide a stability analysis of these schemes and an existence result for the corresponding discrete solutions. A convergence proof is proposed for non-degenerate solutions. Numerical experiments show the behavior of these schemes.
- ItemEntropy and convergence analysis for two finite volume schemes for a Nernst–Planck–Poisson system with ion volume constraints(Berlin ; Heidelberg : Springer, 2022) Gaudeul, Benoît; Fuhrmann, JürgenIn this paper, we consider a drift-diffusion system with cross-coupling through the chemical potentials comprising a model for the motion of finite size ions in liquid electrolytes. The drift term is due to the self-consistent electric field maintained by the ions and described by a Poisson equation. We design two finite volume schemes based on different formulations of the fluxes. We also provide a stability analysis of these schemes and an existence result for the corresponding discrete solutions. A convergence proof is proposed for non-degenerate solutions. Numerical experiments show the behavior of these schemes.
- ItemExperimental and numerical model study of the limiting current in a channel flow cell with a cirvular electrode(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2008) Fuhrmann, Jürgen; Zhao, H.; Holzbecher, E.; Langmach, H.; Chojak, M.; Halseid, R.; Jusys, Z.; Behm, R.J.We describe first measurement in a novel thin-layer channel flow cell designed for the investigation of heterogeneous electrocatalysis on porous catalysts. For the interpretation of the measurements, a macroscopic model for coupled species transport and reaction, which can be solved numerically, is feasible. In this paper, we focus on the limiting current. We compare numerical solutions of a macroscopic model to a generalization of a Leveque-type asymptotic estimate for circular electrodes, and to measurements obtained in the aforementioned flow cell. We establish, that on properly aligned meshes, the numerical method reproduces the asymptotic estimate. Furthermore, we demonstrate, that the measurements are partially performed in the sub-asymptotic regime, in which the boundary layer thickness exceeds the cell height. Using the inlet concentration and the diffusion coefficient from literature, we overestimate the limiting current. On the other hand, the use of fitted parameters leads to perfect agreement between model and experiment.
- ItemExperimental proof of Joule heating-induced switched-back regions in OLEDs(London : Nature Publishing Group, 2020) Kirch, Anton; Fische, Axel; Liero, Matthias; Fuhrmann, Jürgen; Glitzky, Annegret; Reineke, SebastianOrganic light-emitting diodes (OLEDs) have become a major pixel technology in the display sector, with products spanning the entire range of current panel sizes. The ability to freely scale the active area to large and random surfaces paired with flexible substrates provides additional application scenarios for OLEDs in the general lighting, automotive, and signage sectors. These applications require higher brightness and, thus, current density operation compared to the specifications needed for general displays. As extended transparent electrodes pose a significant ohmic resistance, OLEDs suffering from Joule self-heating exhibit spatial inhomogeneities in electrical potential, current density, and hence luminance. In this article, we provide experimental proof of the theoretical prediction that OLEDs will display regions of decreasing luminance with increasing driving current. With a two-dimensional OLED model, we can conclude that these regions are switched back locally in voltage as well as current due to insufficient lateral thermal coupling. Experimentally, we demonstrate this effect in lab-scale devices and derive that it becomes more severe with increasing pixel size, which implies its significance for large-area, high-brightness use cases of OLEDs. Equally, these non-linear switching effects cannot be ignored with respect to the long-term operation and stability of OLEDs; in particular, they might be important for the understanding of sudden-death scenarios. © 2020, The Author(s).
- ItemGeneralized Poisson--Nernst--Planck-based physical model of O$_2$ I LSM I YSZ electrode(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Miloš, Vojtěch; Vágner, Petr; Budáč, Daniel; Carda, Michal; Paidar, Martin; Fuhrmann, Jürgen; Bouzek, KarelThe paper presents a generalized Poisson-Nernst-Planck model of an yttria-stabilized zirconia electrolyte developed from first principles of nonequilibrium thermodynamics which allows for spatial resolution of the space charge layer. It takes into account limitations in oxide ion concentrations due to the limited availability of oxygen vacancies. The electrolyte model is coupled with a reaction kinetic model describing the triple phase boundary with electron conducting lanthanum strontium manganite and gaseous phase oxygen. By comparing the outcome of numerical simulations based on different formulations of the kinetic equations with results of EIS and CV measurements we attempt to discern the existence of separate surface lattice sites for oxygen adatoms and O2- from the assumption of shared ones. Furthermore, we discern mass-action kinetics models from exponential kinetics models.