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Author: Koprucki, Thomas × End date: 2019 × Start date: 2010 × Has files: Yes × Publisher: Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik ×

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Now showing 1 - 10 of 23
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    Mathematical models as research data via flexiformal theory graphs
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2017) Kohlhase, Michael; Koprucki, Thomas; Müller, Dennis; Tabelow, Karsten
    Mathematical modeling and simulation (MMS) has now been established as an essential part of the scientific work in many disciplines. It is common to categorize the involved numerical data and to some extent the corresponding scientific software as research data. But both have their origin in mathematical models, therefore any holistic approach to research data in MMS should cover all three aspects: data, software, and models. While the problems of classifying, archiving and making accessible are largely solved for data and first frameworks and systems are emerging for software, the question of how to deal with mathematical models is completely open. In this paper we propose a solution to cover all aspects of mathematical models: the underlying mathematical knowledge, the equations, boundary conditions, numeric approximations, and documents in a flexiformal framework, which has enough structure to support the various uses of models in scientific and technology workflows. Concretely we propose to use the OMDoc/MMT framework to formalize mathematical models and show the adequacy of this approach by modeling a simple, but non-trivial model: van Roosbroecks drift-diffusion model for one-dimensional devices. This formalization and future extensions allows us to support the modeler by e.g. flexibly composing models, visualizing Model Pathway Diagrams, and annotating model equations in documents as induced from the formalized documents by flattening. This directly solves some of the problems in treating MMS as research data and opens the way towards more MKM services for models.
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    Discretization scheme for drift-diffusion equations with a generalized Einstein relation
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2012) Koprucki, Thomas; Gärtner, Klaus
    Inspired by organic semiconductor models based on hopping transport introducing Gauss-Fermi integrals a nonlinear generalization of the classical Scharfetter-Gummel scheme is derived for the distribution function F(n)=1/(exp(-n)+y). This function provides an approximation of the Fermi-Dirac integrals of different order and restricted argument ranges. The scheme requires the solution of a nonlinear equation per edge and continuity equation to calculate the edge currents. In the current formula the density-dependent diffusion enhancement factor, resulting from the generalized Einstein relation, shows up as a weighting factor. Additionally the current modifies the argument of the Bernoulli functions
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    Efficient 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, Uwe
    In 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.
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    Efficient 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, Uwe
    We 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.
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    Hybrid quantum-classical modeling of quantum dot devices
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2017) Kantner, Markus; Mittnenzweig, Markus; Koprucki, Thomas
    The design of electrically driven quantum dot devices for quantum optical applications asks for modeling approaches combining classical device physics with quantum mechanics. We connect the well-established fields of semi-classical semiconductor transport theory and the theory of open quantum systems to meet this requirement. By coupling the van Roosbroeck system with a quantum master equation in Lindblad form, we obtain a new hybrid quantum-classical modeling approach, which enables a comprehensive description of quantum dot devices on multiple scales: It allows the calculation of quantum optical figures of merit and the spatially resolved simulation of the current flow in realistic semiconductor device geometries in a unified way. We construct the interface between both theories in such a way, that the resulting hybrid system obeys the fundamental axioms of (non-)equilibrium thermodynamics. We show that our approach guarantees the conservation of charge, consistency with the thermodynamic equilibrium and the second law of thermodynamics. The feasibility of the approach is demonstrated by numerical simulations of an electrically driven single-photon source based on a single quantum dot in the stationary and transient operation regime.
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    Highly accurate quadrature-based Scharfetter-Gummel schemes for charge transport in degenerate semiconductors
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2018) Patriarca, Matteo; Farrell, Patricio; Fuhrmann, Jürgen; Koprucki, Thomas
    We introduce a family of two point flux expressions for charge carrier transport described by drift-diffusion problems in degenerate semiconductors with non-Boltzmann statistics which can be used in Voronoi finite volume discretizations. In the case of Boltzmann statistics, Scharfetter and Gummel derived such fluxes by solving a linear two point boundary value problem yielding a closed form expression for the flux. Instead, a generalization of this approach to the nonlinear case yields a flux value given implicitly as the solution of a nonlinear integral equation. We examine the solution of this integral equation numerically via quadrature rules to approximate the integral as well as Newtons method to solve the resulting approximate integral equation. This approach results into a family of quadrature-based Scharfetter-Gummel flux approximations. We focus on four quadrature rules and compare the resulting schemes with respect to execution time and accuracy. A convergence study reveals that the solution of the approximate integral equation converges exponentially in terms of the number of quadrature points. With very few integration nodes they are already more accurate than a state-of-the-art reference flux, especially in the challenging physical scenario of high nonlinear diffusion. Finally, we show that thermodynamic consistency is practically guaranteed.
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    Numerical simulation of carrier transport in semiconductor devices at cryogenic temperatures
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2016) Kantner, Markus; Koprucki, Thomas
    At cryogenic temperatures the electron-hole plasma in semiconductor materials becomes strongly degenerate, leading to very sharp internal layers, extreme depletion in intrinsic domains and strong nonlinear diffusion. As a result, the numerical simulation of the drift-diffusion system suffers from serious convergence issues using standard methods. We consider a one-dimensional p-i-n diode to illustrate these problems and present a simple temperature-embedding scheme to enable the numerical simulation at cryogenic temperatures. The method is suitable for forward-biased devices as they appear e.g. in optoelectronic applications.
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    Computational 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, Jürgen
    For 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.
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    On thermodynamic consistency of a Scharfetter-Gummel scheme based on a modified thermal voltage for drift-diffusion equations with diffusion enhancement
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2014) Koprucki, Thomas; Rotundo, Nella; Farrell, Patricio; Doan, Duy Hai; Fuhrmann, Jürgen
    Driven by applications like organic semiconductors there is an increased interest in numerical simulations based on drift-diffusion models with arbitrary statistical distribution functions. This requires numerical schemes that preserve qualitative properties of the solutions, such as positivity of densities, dissipativity and consistency with thermodynamic equilibrium. An extension of the Scharfetter-Gummel scheme guaranteeing consistency with thermodynamic equilibrium is studied. It is derived by replacing the thermal voltage with an averaged diffusion enhancement for which we provide a new explicit formula. This approach avoids solving the costly local nonlinear equations defining the current for generalized Scharfetter-Gummel schemes.
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    Feel the heat: Nonlinear electrothermal feedback in organic LEDs
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2013) Fischer, Axel; Koprucki, Thomas; Gärtner, Klaus; Tietze, Max L.; Brückner, Jacqueline; Lüssem, Björn; Leo, Karl; Glitzky, Annegret; Scholz, Reinhard
    For lighting applications, Organic light-emitting diodes (OLED) need much higher brightness than for displays, leading to self-heating. Due to the temperature-activated transport in organic semiconductors, this can result in brightness inhomogeneities and catastrophic failure. Here, we show that due to the strong electrothermal feedback of OLEDs, the common spatial current and voltage distribution is completely changed, requiring advanced device modeling and operation concepts. Our study clearly demonstrates the effect of negative differential resistance (NDR) in OLEDs induced by self-heating. As a consequence, for increasing voltage, regions with declining voltages are propagating through the device, and even more interestingly, a part of these regions show even decreasing currents, leading to strong local variation in luminance. The expected breakthrough of OLED lighting technology will require an improved price performance ratio, and the realization of modules with very high brightness but untainted appearance is considered to be an essential step into this direction. Thus, a deeper understanding of the control of electrothermal feedback will help to make OLEDs in lighting more competitive.