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A coarse‐grained electrothermal model for organic semiconductor devices
We derive a coarse-grained model for the electrothermal interaction of organic semiconductors. The model combines stationary drift-diffusion- based electrothermal models with thermistor-type models on subregions of the device and suitable transmission conditions. Moreover, we prove existence of a solution using a regularization argument and Schauder's fixed point theorem. In doing so, we extend recent work by taking into account the statistical relation given by the Gauss–Fermi integral and mobility functions depending on the temperature, charge-carrier density, and field strength, which is required for a proper description of organic devices.
An effective bulk-surface thermistor model for large-area organic light-emitting diodes
The existence of a weak solution for an effective system of partial differential equations describing the electrothermal behavior of large-area organic light-emitting diodes (OLEDs) is proved. The effective system consists of the heat equation in the three-dimensional bulk glass substrate and two semi-linear equations for the current flow through the electrodes coupled to algebraic equations for the continuity of the electrical fluxes through the organic layers. The electrical problem is formulated on the (curvilinear) surface of the glass substrate where the OLED is mounted. The source terms in the heat equation are due to Joule heating and are hence concentrated on the part of the boundary where the current-flow equation is posed. The existence of weak solutions to the effective system is proved via Schauder's fixed-point theorem. Moreover, since the heat sources are a priori only in $L^1$, the concept of entropy solutions is used.
Dimension reduction of thermistor models for large-area organic light-emitting diodes
An effective system of partial differential equations describing the heat and current flow through a thin organic light-emitting diode (OLED) mounted on a glass substrate is rigorously derived from a recently introduced fully three-dimensional φ(x)-Laplace thermistor model. The OLED consists of several thin layers that scale differently with respect to the multiscale parameter ε > 0 which is the ratio between the total thickness and the lateral extent of the OLED. Starting point of the derivation is a rescaled formulation of the current-flow equation in the OLED for the driving potential and the heat equation in OLED and glass substrate with Joule heat term concentrated in the OLED. Assuming physically motivated scalings in the electrical flux functions, uniform a priori bounds are derived for the solutions of the three-dimensional system which facilitates the extraction of converging subsequences with limits that are identified as solutions of a dimension reduced system. In the latter, the effective current-flow equation is given by two semilinear equations in the two-dimensional cross-sections of the electrodes and algebraic equations for the continuity of the electrical fluxes through the organic layers. The effective heat equation is formulated only in the glass substrate with Joule heat term on the part of the boundary where the OLED is mounted.
Effective diffusion in thin structures via generalized gradient systems and EDP-convergence
The notion of Energy-Dissipation-Principle convergence (EDP-convergence) is used to derive effective evolution equations for gradient systems describing diffusion in a structure consisting of several thin layers in the limit of vanishing layer thickness. The thicknesses of the sublayers tend to zero with different rates and the diffusion coefficients scale suitably. The Fokker--Planck equation can be formulated as gradient-flow equation with respect to the logarithmic relative entropy of the system and a quadratic Wasserstein-type gradient structure. The EDP-convergence of the gradient system is shown by proving suitable asymptotic lower limits of the entropy and the total dissipation functional. The crucial point is that the limiting evolution is again described by a gradient system, however, now the dissipation potential is not longer quadratic but is given in terms of the hyperbolic cosine. The latter describes jump processes across the thin layers and is related to the Marcelin--de Donder kinetics.
Optimal Entropy-Transport problems and a new Hellinger–Kantorovich distance between positive measures
We develop a full theory for the new class of Optimal Entropy-Transport problems between nonnegative and finite Radon measures in general topological spaces. These problems arise quite naturally by relaxing the marginal constraints typical of Optimal Transport problems: given a pair of finite measures (with possibly different total mass), one looks for minimizers of the sum of a linear transport functional and two convex entropy functionals, which quantify in some way the deviation of the marginals of the transport plan from the assigned measures. As a powerful application of this theory, we study the particular case of Logarithmic Entropy-Transport problems and introduce the new Hellinger–Kantorovich distance between measures in metric spaces. The striking connection between these two seemingly far topics allows for a deep analysis of the geometric properties of the new geodesic distance, which lies somehow between the well-known Hellinger–Kakutani and Kantorovich–Wasserstein distances.
Analysis of a hybrid model for the electrothermal behavior of semiconductor heterostructures
We prove existence of a weak solution for a hybrid model for the electro-thermal behavior of semiconductor heterostructures. This hybrid model combines an electro-thermal model based on drift-diffusion with thermistor type models in different subregions of the semiconductor heterostructure. The proof uses a regularization method and Schauder's fixed point theorem. For boundary data compatible with thermodynamic equilibrium we verify, additionally, uniqueness. Moreover, we derive bounds and higher integrability properties for the electrostatic potential and the quasi Fermi potentials as well as the temperature.
Homogenization of a porous intercalation electrode with phase separation
In this work, we derive a new model framework for a porous intercalation electrode with a phase separating active material upon lithium intercalation. We start from a microscopic model consisting of transport equations for lithium ions in an electrolyte phase and intercalated lithium in a solid active phase. Both are coupled through a Neumann--boundary condition modeling the lithium intercalation reaction. The active material phase is considered to be phase separating upon lithium intercalation. We assume that the porous material is a given periodic microstructure and perform analytical homogenization. Effectively, the microscopic model consists of a diffusion and a Cahn--Hilliard equation, whereas the limit model consists of a diffusion and an Allen--Cahn equation. Thus we observe a Cahn--Hilliard to Allen--Cahn transition during the upscaling process. In the sense of gradient flows, the transition goes in hand with a change in the underlying metric structure of the PDE system.
A coarse-grained electrothermal model for organic semiconductor devices
We derive a coarse-grained model for the electrothermal interaction of organic semiconductors. The model combines stationary drift-diffusion based electrothermal models with thermistor type models on subregions of the device and suitable transmission conditions. Moreover, we prove existence of a solution using a regularization argument and Schauder's fixed point theorem. In doing so, we extend recent work by taking into account the statistical relation given by the Gauss--Fermi integral and mobility functions depending on the temperature, charge-carrier density, and field strength, which is required for a proper description of organic devices.
Drift-diffusion simulation of S-shaped current-voltage relations for organic semiconductor devices
We 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.
Unipolar drift-diffusion simulation of S-shaped current-voltage relations for organic semiconductor devices
We discretize a unipolar electrothermal drift-diffusion model for organic semiconductor devices with Gauss--Fermi statistics and charge carrier mobilities having positive temperature feedback. We apply temperature dependent Ohmic contact boundary conditions for the electrostatic potential and use a finite volume based generalized Scharfetter-Gummel scheme. Applying path-following techniques we demonstrate that the model exhibits S-shaped current-voltage curves with regions of negative differential resistance, only recently observed experimentally.