Publications

Monographs

  • O. Marquardt, V.M. Kaganer, P. Corfdir, Chapter 12: Nanowires, in: Vol. 1 of Handbook of Optoelectronic Device Modeling and Simulations: Fundamentals, Materials, Nanostructures, LEDs, and Amplifiers, J. Piprek, ed., Series in Optics and Optoelectronics, CRC Press, Taylor & Francis Group, Boca Raton, 2017, pp. 395--415, (Chapter Published).

  • S. Jachalski, D. Peschka, S. Bommer, R. Seemann, B. Wagner, Chapter 18: Structure Formation in Thin Liquid--Liquid Films, in: Transport Processes at Fluidic Interfaces, D. Bothe, A. Reusken, eds., Advances in Mathematical Fluid Mechanics, Birkhäuser, Springer International Publishing AG, Cham, 2017, pp. 531--574, (Chapter Published), DOI 10.1007/978-3-319-56602-3 .
    Abstract
    We revisit the problem of a liquid polymer that dewets from another liquid polymer substrate with the focus on the direct comparison of results from mathematical modeling, rigorous analysis, numerical simulation and experimental investigations of rupture, dewetting dynamics and equilibrium patterns of a thin liquid-liquid system. The experimental system uses as a model system a thin polystyrene (PS) / polymethylmethacrylate (PMMA) bilayer of a few hundred nm. The polymer systems allow for in situ observation of the dewetting process by atomic force microscopy (AFM) and for a precise ex situ imaging of the liquid--liquid interface. In the present study, the molecular chain length of the used polymers is chosen such that the polymers can be considered as Newtonian liquids. However, by increasing the chain length, the rheological properties of the polymers can be also tuned to a viscoelastic flow behavior. The experimental results are compared with the predictions based on the thin film models. The system parameters like contact angle and surface tensions are determined from the experiments and used for a quantitative comparison. We obtain excellent agreement for transient drop shapes on their way towards equilibrium, as well as dewetting rim profiles and dewetting dynamics.

  • P. Farrell, N. Rotundo, D.H. Doan, M. Kantner, J. Fuhrmann, Th. Koprucki, Chapter 50: Drift-Diffusion Models, in: Vol. 2 of Handbook of Optoelectronic Device Modeling and Simulation: Lasers, Modulators, Photodetectors, Solar Cells, and Numerical Methods, J. Piprek, ed., Series in Optics and Optoelectronics, CRC Press, Taylor & Francis Group, Boca Raton, 2017, pp. 733--771, (Chapter Published).

  • H.-Chr. Kaiser, D. Knees, A. Mielke, J. Rehberg, E. Rocca, M. Thomas, E. Valdinoci, eds., PDE 2015: Theory and Applications of Partial Differential Equations, 10 of Discrete and Continuous Dynamical Systems -- Series S, American Institute of Mathematical Science, Springfield, 2017, iv+933 pages, (Collection Published).
    Abstract
    HAGs von Christoph bestätigen lassen

  • P. Colli, A. Favini, E. Rocca, G. Schimperna, J. Sprekels, eds., Solvability, Regularity, and Optimal Control of Boundary Value Problems for PDEs: In Honour of Prof. Gianni Gilardi, 22 of Springer INdAM Series, Springer International Publishing AG, Cham, 2017, xii+571 pages, (Collection Published).
    Abstract
    This volume gathers contributions in the field of partial differential equations, with a focus on mathematical models in phase transitions, complex fluids and thermomechanics. These contributions are dedicated to Professor Gianni Gilardi on the occasion of his 70th birthday. It particularly develops the following thematic areas: nonlinear dynamic and stationary equations; well-posedness of initial and boundary value problems for systems of PDEs; regularity properties for the solutions; optimal control problems and optimality conditions; feedback stabilization and stability results. Most of the articles are presented in a self-contained manner, and describe new achievements and/or the state of the art in their line of research, providing interested readers with an overview of recent advances and future research directions in PDEs.

Articles in Refereed Journals

  • M. Heida, M. Röger, Large deviation principle for a stochastic Allen--Cahn equation, Journal of Theoretical Probability, 31 (2018), pp. 364--401, DOI 10.1007/s10959-016-0711-7 .
    Abstract
    The Allen-Cahn equation is a prototype model for phase separation processes, a fundamental example of a nonlinear spatial dynamic and an important approximation of a geometric evolution equation by a reaction-diffusion equation. Stochastic perturbations, especially in the case of additive noise, to the Allen-Cahn equation have attracted considerable attention. We consider here an alternative random perturbation determined by a Brownian flow of spatial diffeomorphism that was introduced by Röger and Weber [Stoch. Partial Differ. Equ. Anal. Comput. 1 (2013)]. We first provide a large deviation principle for stochastic flows in spaces of functions that are Hölder-continuous in time, which extends results by Budhiraja, Dupuis and Maroulas [Ann. Probab. 36 (2008)]. From this result and a continuity argument we deduce a large deviation principle for the Allen-Cahn equation perturbed by a Brownian flow in the limit of small noise. Finally, we present two asymptotic reductions of the large deviation functional.

  • M. Heida, B. Schweizer, Stochastic homogenization of plasticity equations, ESAIM. Control, Optimisation and Calculus of Variations, 24 (2018), pp. 153--176.
    Abstract
    In the context of infinitesimal strain plasticity with hardening, we derive a stochastic homogenization result. We assume that the coefficients of the equation are random functions: elasticity tensor, hardening parameter and flow-rule function are given through a dynamical system on a probability space. A parameter ε > 0 denotes the typical length scale of oscillations. We derive effective equations that describe the behavior of solutions in the limit ε → 0. The homogenization procedure is based on the fact that stochastic coefficients “allow averaging”: For one representative volume element, a strain evolution [0,T]∋ t ↦ξ(t) ∈ ℝsdxd induces a stress evolution [0,T]∋ t ↦Σ (ξ) (t)∈ℝsdxd. Once the hysteretic evolution law Σ is justified for averages, we obtain that the macroscopic limit equation is given by -∇ ⋅ Σ(∇su)=f.

  • D. Peschka, N. Rotundo, M. Thomas, Doping optimization for optoelectronic devices, Optical and Quantum Electronics, (2018), DOI 10.1007/s11082-018-1393-4 .
    Abstract
    We 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 threshold of an edge-emitting laser, we consider a drift-diffusion 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.

  • M. Becker, Th. Frenzel, Th. Niedermeyer, S. Reichelt, A. Mielke, M. Bär, Local control of globally competing patterns in coupled Swift--Hohenberg equations, Chaos. An Interdisciplinary Journal of Nonlinear Science, 28 (2018), pp. 043121/1--043121/11, DOI 10.1063/1.5018139 .
    Abstract
    We present analytical and numerical investigations of two anti-symmetrically coupled 1D Swift--Hohenberg equations (SHEs) with cubic nonlinearities. The SHE provides a generic formulation for pattern formation at a characteristic length scale. A linear stability analysis of the homogeneous state reveals a wave instability in addition to the usual Turing instability of uncoupled SHEs. We performed weakly nonlinear analysis in the vicinity of the codimension-two point of the Turing-wave instability, resulting in a set of coupled amplitude equations for the Turing pattern as well as left and right traveling waves. In particular, these complex Ginzburg--Landau-type equations predict two major things: there exists a parameter regime where multiple different patterns are stable with respect to each other; and that the amplitudes of different patterns interact by local mutual suppression. In consequence, different patterns can coexist in distinct spatial regions, separated by localized interfaces. We identified specific mechanisms for controlling the position of these interfaces, which distinguish what kinds of patterns the interface connects and thus allow for global pattern selection. Extensive simulations of the original SHEs confirm our results.

  • P. Colli, G. Gilardi, J. Sprekels, Optimal boundary control of a nonstandard viscous Cahn--Hilliard system with dynamic boundary condition, Nonlinear Analysis. An International Mathematical Journal, 170 (2018), pp. 171--196, DOI 10.1016/j.na.2018.01.003 .
    Abstract
    In this paper, we study an optimal boundary control problem for a model for phase separation taking place in a spatial domain that was introduced by Podio-Guidugli in Ric. Mat. 55 (2006), pp. 105-118. The model consists of a strongly coupled system of nonlinear parabolic differential equations, in which products between the unknown functions and their time derivatives occur that are difficult to handle analytically. In contrast to the existing control literature about this PDE system, we consider here a dynamic boundary condition involving the Laplace-Beltrami operator for the order parameter of the system, which models an additional nonconserving phase transition occurring on the surface of the domain. We show the Fr&aecute;chenett differentiability of the associated control-to-state operator in appropriate Banach spaces and derive results on the existence of optimal controls and on first-order necessary optimality conditions in terms of a variational inequality and the adjoint state system.

  • P. Colli, G. Gilardi, J. Sprekels, Optimal velocity control of a viscous Cahn--Hilliard system with convection and dynamic boundary conditions, SIAM Journal on Control and Optimization, 56 (2018), pp. 1665--1691, DOI 10.1137/17M1146786 .
    Abstract
    In this paper, we investigate a distributed optimal control problem for a convective viscous Cahn--Hilliard system with dynamic boundary conditions. Such systems govern phase separation processes between two phases taking place in an incompressible fluid in a container and, at the same time, on the container boundary. The cost functional is of standard tracking type, while the control is exerted by the velocity of the fluid in the bulk. In this way, the coupling between the state (given by the associated order parameter and chemical potential) and control variables in the governing system of nonlinear partial differential equations is bilinear, which presents an additional difficulty for the analysis. The nonlinearities in the bulk and surface free energies are of logarithmic type, which entails that the thermodynamic forces driving the phase separation process may become singular. We show existence for the optimal control problem under investigation, prove the Fréchet differentiability of the associated control-to-state mapping in suitable Banach spaces, and derive the first-order necessary optimality conditions in terms of a variational inequality and the associated adjoint system. Due to the strong nonlinear couplings between state variables and control, the corresponding proofs require a considerable analytical effort.

  • J. Haskovec, S. Hittmeir, P. Markowich, A. Mielke, Decay to equilibrium for energy-reaction-diffusion systems, SIAM Journal on Mathematical Analysis, (2018), DOI 10.1137/16M1062065 .
    Abstract
    We derive thermodynamically consistent models of reaction-diffusion equations coupled to a heat equation. While the total energy is conserved, the total entropy serves as a driving functional such that the full coupled system is a gradient flow. The novelty of the approach is the Onsager structure, which is the dual form of a gradient system, and the formulation in terms of the densities and the internal energy. In these variables it is possible to assume that the entropy density is strictly concave such that there is a unique maximizer (thermodynamical equilibrium) given linear constraints on the total energy and suitable density constraints. We consider two particular systems of this type, namely, a diffusion-reaction bipolar energy transport system, and a drift-diffusion-reaction energy transport system with confining potential. We prove corresponding entropy-entropy production inequalities with explicitely calculable constants and establish the convergence to thermodynamical equilibrium, at first in entropy and further in L1 using Cziszar-Kullback-Pinsker type inequalities.

  • D. Horstmann, J. Rehberg, H. Meinlschmidt, The full Keller--Segel model is well-posed on fairly general domains, Nonlinearity, 31 (2018), pp. 1560--1592, DOI 10.1088/1361-6544/aaa2e1 .
    Abstract
    In this paper we prove the well-posedness of the full Keller-Segel system, a quasilinear strongly coupled reaction-crossdiffusion system, in the spirit that it always admits a unique local-in-time solution in an adequate function space, provided that the initial values are suitably regular. Apparently, there exists no comparable existence result for the full Keller-Segel system up to now. The proof is carried out for general source terms and is based on recent nontrivial elliptic and parabolic regularity results which hold true even on fairly general spatial domains, combined with an abstract solution theorem for nonlocal quasilinear equations by Amann.

  • G. Lazzaroni, R. Rossi, M. Thomas, R. Toader, Rate-independent damage in thermo-viscoelastic materials with inertia, Journal of Dynamics and Differential Equations, (2018), published online on 10.05.2018, DOI 10.1007/s10884-018-9666-y .
    Abstract
    We present a model for rate-independent, unidirectional, partial damage in visco-elastic materials with inertia and thermal effects. The damage process is modeled by means of an internal variable, governed by a rate-independent flow rule. The heat equation and the momentum balance for the displacements are coupled in a highly nonlinear way. Our assumptions on the corresponding energy functional also comprise the case of the Ambrosio-Tortorelli phase-field model (without passage to the brittle limit). We discuss a suitable weak formulation and prove an existence theorem obtained with the aid of a (partially) decoupled time-discrete scheme and variational convergence methods. We also carry out the asymptotic analysis for vanishing viscosity and inertia and obtain a fully rate-independent limit model for displacements and damage, which is independent of temperature.

  • A. Muntean, S. Reichelt, Corrector estimates for a thermo-diffusion model with weak thermal coupling, Multiscale Modeling & Simulation. A SIAM Interdisciplinary Journal, 16 (2018), pp. 807--832, DOI 10.1137/16M109538X .
    Abstract
    The present work deals with the derivation of corrector estimates for the two-scale homogenization of a thermo-diffusion model with weak thermal coupling posed in a heterogeneous medium endowed with periodically arranged high-contrast microstructures. The terminology “weak thermal coupling” refers here to the variable scaling in terms of the small homogenization parameter ε of the heat conduction-diffusion interaction terms, while the “high-contrast” is thought particularly in terms of the heat conduction properties of the composite material. As main target, we justify the first-order terms of the multiscale asymptotic expansions in the presence of coupled fluxes, induced by the joint contribution of Sorret and Dufour-like effects. The contrasting heat conduction combined with cross coupling lead to the main mathematical difficulty in the system. Our approach relies on the method of periodic unfolding combined with ε-independent estimates for the thermal and concentration fields and for their coupled fluxes

  • P. Corfdir, H. Li, O. Marquardt, G. Gao, M.R. Molas, J.K. Zettler, D. VAN Treeck, T. Flissikowski, M. Potemski, C. Draxl, A. Trampert, S. Fernández-Garrido, H.T. Grahn, O. Brandt, Crystal-phase quantum wires: One-dimensional heterostructures with atomically flat interfaces, Nano Letters, 18 (2018), pp. 247--254, DOI 10.1021/acs.nanolett.7b03997 .

  • B. Drees, A. Kraft, Th. Koprucki, Reproducible research through persistently linked and visualized data, Optical and Quantum Electronics, 50 (2018), pp. 59/1--59/10, DOI 10.1007/s11082-018-1327-1 .
    Abstract
    The demand of reproducible results in the numerical simulation of opto-electronic devices or more general in mathematical modeling and simulation requires the (long-term) accessibility of data and software that were used to generate those results. Moreover, to present those results in a comprehensible manner data visualizations such as videos are useful. Persistent identifier can be used to ensure the permanent connection of these different digital objects thereby preserving all information in the right context. Here we give an overview over the state-of-the art of data preservation, data and software citation and illustrate the benefits and opportunities of enhancing publications with visual simulation data by showing a use case from opto-electronics.

  • P. Farrell, M. Patriarca, J. Fuhrmann, Th. Koprucki, Comparison of thermodynamically consistent charge carrier flux discretizations for Fermi--Dirac and Gauss--Fermi statistics, Optical and Quantum Electronics, (2018), published online on 07.02.2018, DOI 10.1007/s11082-018-1349-8 .
    Abstract
    We compare three thermodynamically consistent Scharfetter--Gummel schemes for different distribution functions for the carrier densities, including the Fermi--Dirac integral of order 1/2 and the Gauss--Fermi integral. The most accurate (but unfortunately also most costly) generalized Scharfetter--Gummel scheme requires the solution of an integral equation. We propose a new method to solve this integral equation numerically based on Gauss quadrature and Newton's method. We discuss the quality of this approximation and plot the resulting currents for Fermi--Dirac and Gauss--Fermi statistics. Finally, by comparing two modified (diffusion-enhanced and inverse activity based) Scharfetter--Gummel 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).

  • TH. Koprucki, M. Kohlhase, K. Tabelow, D. Müller, F. Rabe, Model pathway diagrams for the representation of mathematical models, Optical and Quantum Electronics, (2018), published online on 23.01.2018, DOI 10.1007/s11082-018-1321-7 .
    Abstract
    Mathematical models are the foundation of numerical simulation of optoelectronic devices. We present a concept for a machine-actionable as well as human-understandable representation of the mathematical knowledge they contain and the domain-specific knowledge they are based on. We propose to use theory graphs to formalize mathematical models and model pathway diagrams to visualize them. We illustrate our approach by application to the van Roosbroeck system describing the carrier transport in semiconductors by drift and diffusion. We introduce an approach for the block-based composition of models from simpler components.

  • M. Liero, S. Reichelt, Homogenization of Cahn--Hilliard-type equations via evolutionary Gamma-convergence, NoDEA. Nonlinear Differential Equations and Applications, (2018), published online on 29.01.2018, DOI 10.1007/s00030-018-0495-9 .
    Abstract
    In this paper we discuss two approaches to evolutionary Γ-convergence of gradient systems in Hilbert spaces. The formulation of the gradient system is based on two functionals, namely the energy functional and the dissipation potential, which allows us to employ Γ-convergence methods. In the first approach we consider families of uniformly convex energy functionals such that the limit passage of the time-dependent problems can be based on the theory of evolutionary variational inequalities as developed by Daneri and Savaré 2010. The second approach uses the equivalent formulation of the gradient system via the energy-dissipation principle and follows the ideas of Sandier and Serfaty 2004. We apply both approaches to rigorously derive homogenization limits for Cahn-Hilliard-type equations. Using the method of weak and strong two-scale convergence via periodic unfolding, we show that the energy and dissipation functionals Γ-converge. In conclusion, we will give specific examples for the applicability of each of the two approaches.

  • K. Disser, A.F.M. TER Elst, J. Rehberg, On maximal parabolic regularity for non-autonomous parabolic operators, Journal of Differential Equations, 262 (2017), pp. 2039--2072.
    Abstract
    We consider linear inhomogeneous non-autonomous parabolic problems associated to sesquilinear forms, with discontinuous dependence of time. We show that for these problems, the property of maximal parabolic regularity can be extrapolated to time integrability exponents r ≠ 2. This allows us to prove maximal parabolic Lr-regularity for discontinuous non-autonomous second-order divergence form operators in very general geometric settings and to prove existence results for related quasilinear equations.

  • K. Disser, J. Rehberg, A.F.M. TER Elst, Hölder estimates for parabolic operators on domains with rough boundary, Annali della Scuola Normale Superiore di Pisa. Classe di Scienze. Serie V, XVII (2017), pp. 65--79.
    Abstract
    In this paper we investigate linear parabolic, second-order boundary value problems with mixed boundary conditions on rough domains. Assuming only boundedness/ellipticity on the coefficient function and very mild conditions on the geometry of the domain -- including a very weak compatibility condition between the Dirichlet boundary part and its complement -- we prove Hölder continuity of the solution in space and time.

  • S. Reichelt, Corrector estimates for a class of imperfect transmission problems, Asymptotic Analysis, 105 (2017), pp. 3--26, DOI 10.3233/ASY-171432 .
    Abstract
    Based on previous homogenization results for imperfect transmission problems in two-component domains with periodic microstructure, we derive quantitative estimates for the difference between the microscopic and macroscopic solution. This difference is of order ερ, where ε > 0 describes the periodicity of the microstructure and ρ ∈ (0 , ½] depends on the transmission condition at the interface between the two components. The corrector estimates are proved without assuming additional regularity for the local correctors using the periodic unfolding method.

  • M. Heida, A. Mielke, Averaging of time-periodic dissipation potentials in rate-independent processes, Discrete and Continuous Dynamical Systems -- Series S, 10 (2017), pp. 1303--1327.
    Abstract
    We study the existence and well-posedness of rate-independent systems (or hysteresis operators) with a dissipation potential that oscillates in time with period ε. In particular, for the case of quadratic energies in a Hilbert space, we study the averaging limit ε→0 and show that the effctive dissipation potential is given by the minimum of all friction thresholds in one period, more precisely as the intersection of all the characteristic domains. We show that the rates of the process do not converge weakly, hence our analysis uses the notion of energetic solutions and relies on a detailed estimates to obtain a suitable equi-continuity of the solutions in the limit ε→0.

  • M. Heida, Stochastic homogenization of rate-independent systems, Continuum Mechanics and Thermodynamics, 29 (2017), pp. 853--894, DOI 10.1007/s00161-017-0564-z .
    Abstract
    We study the stochastic and periodic homogenization 1-homogeneous convex functionals. We proof some convergence results with respect to stochastic two-scale convergence, which are related to classical Gamma-convergence results. The main result is a general liminf-estimate for a sequence of 1-homogeneous functionals and a two-scale stability result for sequences of convex sets. We apply our results to the homogenization of rateindependent systems with 1-homogeneous dissipation potentials and quadratic energies. In these applications, both the energy and the dissipation potential have an underlying stochastic microscopic structure. We study the particular homogenization problems of Prandlt-Reuss plasticity, Coulomb friction on a macroscopic surface and Coulomb friction on microscopic fissure.

  • M. Kantner, M. Mittnenzweig, Th. Koprucki, Hybrid quantum-classical modeling of quantum dot devices, Phys. Rev. B., 96 (2017), pp. 205301/1--205301/17, DOI 10.1103/PhysRevB.96.205301 .
    Abstract
    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.

  • M. Liero, A. Mielke, G. Savaré, Optimal entropy-transport problems and a new Hellinger--Kantorovich distance between positive measures, Inventiones mathematicae, 211 (2018), pp. 969--1117 (published online on 14.12.2017), DOI 10.1007/s00222-017-0759-8 .
    Abstract
    We develop a full theory for the new class of Optimal Entropy-Transport problems between nonnegative and finite Radon measures in general topological spaces. They arise quite naturally by relaxing the marginal constraints typical of Optimal Transport problems: given a couple 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, that 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.

  • M. Liero, A. Mielke, M.A. Peletier, D.R.M. Renger, On microscopic origins of generalized gradient structures, Discrete and Continuous Dynamical Systems -- Series S, 10 (2017), pp. 1--35, DOI 10.3934/dcdss.2017001 .
    Abstract
    Classical gradient systems have a linear relation between rates and driving forces. In generalized gradient systems we allow for arbitrary relations derived from general non-quadratic dissipation potentials. This paper describes two natural origins for these structures. A first microscopic origin of generalized gradient structures is given by the theory of large-deviation principles. While Markovian diffusion processes lead to classical gradient structures, Poissonian jump processes give rise to cosh-type dissipation potentials. A second origin arises via a new form of convergence, that we call EDP-convergence. Even when starting with classical gradient systems, where the dissipation potential is a quadratic functional of the rate, we may obtain a generalized gradient system in the evolutionary Gamma-limit. As examples we treat (i) the limit of a diffusion equation having a thin layer of low diffusivity, which leads to a membrane model, and (ii) the limit of diffusion over a high barrier, which gives a reaction-diffusion system.

  • O. Marquardt, Th. Krause, V. Kaganer, J. Martin-Sánchez, M. Hanke, O. Brandt, Influence of strain relaxation in axial $In_xGa_1-xN/GaN$ nanowire heterostructures on their electronic properties, Nanotechnology, 28 (2017), pp. 215204/1--215204/6, DOI 10.1088/1361-6528/aa6b73 .
    Abstract
    We present a systematic theoretical study of the influence of elastic strain relaxation on the built-in electrostatic potentials and the electronic properties of axial InxGa1-xN/GaN nanowire (NW) heterostructures. Our simulations reveal that for a sufficiently large ratio between the thickness of the InxGa1-xN disk and the diameter of the NW, the elastic relaxation leads to a significant reduction of the built-in electrostatic potential in comparison to a planar system of similar layer thickness and In content. In this case, the ground state transition energies approach constant values with increasing thickness of the disk and only depend on the In content, a behavior usually associated to that of a quantum well free of built-in electrostatic potentials. We show that the structures under consideration are by no means field-free, and the built-in potentials continue to play an important role even for ultrathin NWs. In particular, strain and the resulting polarization potentials induce complex confinement features of electrons and holes, which depend on the In content, shape, and dimensions of the heterostructure.

  • O. Marquardt, M. Ramsteiner, P. Corfdir, L. Geelhaar, O. Brandt, Modeling the electronic properties of GaAs polytype nanostructures: Impact of strain on the conduction band character, Phys. Rev. B., 95 (2017), pp. 245309/1--245309/8, DOI 10.1103/PhysRevB.95.245309 .
    Abstract
    We study the electronic properties of GaAs nanowires composed of both the zinc-blende and wurtzite modifications using a ten-band k-p model. In the wurtzite phase, two energetically close conduction bands are of importance for the confinement and the energy levels of the electron ground state. These bands form two intersecting potential landscapes for electrons in zinc-blende/wurtzite nanostructures. The energy difference between the two bands depends sensitively on strain, such that even small strains can reverse the energy ordering of the two bands. This reversal may already be induced by the non-negligible lattice mismatch between the two crystal phases in polytype GaAs nanostructures, a fact that was ignored in previous studies of these structures. We present a systematic study of the influence of intrinsic and extrinsic strain on the electron ground state for both purely zinc-blende and wurtzite nanowires as well as for polytype superlattices. The coexistence of the two conduction bands and their opposite strain dependence results in complex electronic and optical properties of GaAs polytype nanostructures. In particular, both the energy and the polarization of the lowest intersubband transition depends on the relative fraction of the two crystal phases in the nanowire.

  • M. Mittnenzweig, A. Mielke, An entropic gradient structure for Lindblad equations and couplings of quantum systems to macroscopic models, Journal of Statistical Physics, 167 (2017), pp. 205--233, DOI 10.1007/s10955-017-1756-4 .
    Abstract
    We show that all Lindblad operators (i.e. generators of quantum semigroups) on a finite-dimensional Hilbert space satisfying the detailed balance condition with respect to the thermal equilibrium state can be written as a gradient system with respect to the relative entropy. We discuss also thermodynamically consistent couplings to macroscopic systems, either as damped Hamiltonian systems with constant temperature or as GENERIC systems.

  • H. Neidhardt, A. Stephan, V.A. Zagrebnov, On convergence rate estimates for approximations of solution operators of linear non-autonomous evolution equations, Nanosystems: Physics, Chemistry, Mathematics, 8 (2017), pp. 202--215, DOI 10.17586/2220-8054-2017-8-2-202-215 .
    Abstract
    We improve some recent estimates of the rate of convergence for product approximations of solution operators for linear non-autonomous Cauchy problem. The Trotter product formula approximation is proved to converge to the solution operator in the operator-norm. We estimate the rate of convergence of this approximation. The result is applied to diffusion equation perturbed by a time-dependent potential.

  • CH. Dörlemann, M. Heida, B. Schweizer, Transmission conditions for the Helmholtz equation in perforated domains, Vietnam Journal of Mathematics, 45 (2017), pp. 241--253, DOI 10.1007/s10013-016-0222-y .

  • R. Rossi, M. Thomas, Coupling rate-independent and rate-dependent processes: Existence results, SIAM Journal on Mathematical Analysis, 49 (2017), pp. 1419--1494.
    Abstract
    We address the analysis of an abstract system coupling a rate-independet process with a second order (in time) nonlinear evolution equation. We propose suitable weak solution concepts and obtain existence results by passing to the limit in carefully devised time-discretization schemes. Our arguments combine techniques from the theory of gradient systems with the toolbox for rate-independent evolution, thus reflecting the mixed character of the problem. Finally, we discuss applications to a class of rate-independent processes in visco-elastic solids with inertia, and to a recently proposed model for damage with plasticity.

  • R. Rossi, M. Thomas, From adhesive to brittle delamination in visco-elastodynamics, Mathematical Models & Methods in Applied Sciences, 27 (2017), pp. 1489--1546, DOI 10.1142/S0218202517500257 .
    Abstract
    In this paper we analyze a system for brittle delamination between two visco-elastic bodies, also subject to inertia, which can be interpreted as a model for dynamic fracture. The rate-independent flow rule for the delamination parameter is coupled with the momentum balance for the displacement, including inertia. This model features a nonsmooth constraint ensuring the continuity of the displacements outside the crack set, which is marked by the support of the delamination parameter. A weak solvability concept, generalizing the notion of energetic solution for rate-independent systems to the present mixed rate-dependent/rate-independent frame, is proposed. Via refined variational convergence techniques, existence of solutions is proved by passing to the limit in approximating systems which regularize the nonsmooth constraint by conditions for adhesive contact. The presence of the inertial term requires the design of suitable recovery spaces small enough to provide compactness but large enough to recover the information on the crack set in the limit.

  • J. Behrndt, M.M. Malamud, H. Neidhardt, Scattering matrices and Dirichlet-to-Neumann maps, Journal of Functional Analysis, 273 (2017), pp. 1970--2025, DOI 10.1016/j.jfa.2017.06.001 .
    Abstract
    A general representation formula for the scattering matrix of a scattering system consisting of two self-adjoint operators in terms of an abstract operator valued Titchmarsh?Weyl m-function is proved. This result is applied to scattering problems for different self-adjoint realizations of Schrödinger operators on unbounded domains, Schrödinger operators with singular potentials supported on hypersurfaces, and orthogonal couplings of Schrödinger operators. In these applications the scattering matrix is expressed in an explicit form with the help of Dirichlet-to-Neumann maps.

  • P. Colli, G. Gilardi, E. Rocca, J. Sprekels, Optimal distributed control of a diffuse interface model of tumor growth, Nonlinearity, 30 (2017), pp. 2518--2546.
    Abstract
    In this paper, a distributed optimal control problem is studied for a diffuse interface model of tumor growth which was proposed by Hawkins--Daruud et al. in citeHZO. The model consists of a Cahn-Hilliard equation for the tumor cell fraction $vp$ coupled to a reaction-diffusion equation for a function $s$ representing the nutrient-rich extracellular water volume fraction. The distributed control $u$ monitors as a right-hand side the equation for $s$ and can be interpreted as a nutrient supply or a medication, while the cost function, which is of standard tracking type, is meant to keep the tumor cell fraction under control during the evolution. We show that the control-to-state operator is Fréchet differentiable between appropriate Banach spaces and derive the first-order necessary optimality conditions in terms of a variational inequality involving the adjoint state variables.

  • P. Colli, G. Gilardi, E. Rocca, J. Sprekels, Asymptotic analyses and error estimates for a Cahn--Hilliard type phase field system modelling tumor growth, Discrete and Continuous Dynamical Systems, 10 (2017), pp. 37--54.
    Abstract
    This paper is concerned with a phase field system of Cahn--Hilliard type that is related to a tumor growth model and consists of three equations in gianni terms of the variables order parameter, chemical potential and nutrient concentration. This system has been investigated in the recent papers citeCGH and citeCGRS gianni from the viewpoint of well-posedness, long time bhv and asymptotic convergence as two positive viscosity coefficients tend to zero at the same time. Here, we continue the analysis performed in citeCGRS by showing two independent sets of results as just one of the coefficents tends to zero, the other remaining fixed. We prove convergence results, uniqueness of solutions to the two resulting limit problems, and suitable error estimates

  • P. Colli, G. Gilardi, J. Sprekels, Distributed optimal control of a nonstandard nonlocal phase field system with double obstacle potential, Evolution Equations and Control Theory, 6 (2017), pp. 35--58.
    Abstract
    This paper is concerned with a distributed optimal control problem for a nonlocal phase field model of Cahn-Hilliard type, which is a nonlocal version of a model for two-species phase segregation on an atomic lattice under the presence of diffusion. The local model has been investigated in a series of papers by P. Podio-Guidugli and the present authors the nonlocal model studied here consists of a highly nonlinear parabolic equation coupled to an ordinary differential inclusion of subdifferential type. The inclusion originates from a free energy containing the indicator function of the interval in which the order parameter of the phase segregation attains its values. It also contains a nonlocal term modeling long-range interactions. Due to the strong nonlinear couplings between the state variables (which even involve products with time derivatives), the analysis of the state system is difficult. In addition, the presence of the differential inclusion is the reason that standard arguments of optimal control theory cannot be applied to guarantee the existence of Lagrange multipliers. In this paper, we employ recent results proved for smooth logarithmic potentials and perform a so-called `deep quench' approximation to establish existence and first-order necessary optimality conditions for the nonsmooth case of the double obstacle potential.

  • P. Colli, G. Gilardi, J. Sprekels, Global existence for a nonstandard viscous Cahn--Hilliard system with dynamic boundary condition, SIAM Journal on Mathematical Analysis, 49 (2017), pp. 1732--1760, DOI 10.1137/16M1087539 .
    Abstract
    In this paper, we study a model for phase segregation taking place in a spatial domain that was introduced by Podio-Guidugli in Ric. Mat. 55 (2006), pp. 105-118. The model consists of a strongly coupled system of nonlinear parabolic differential equations, in which products between the unknown functions and their time derivatives occur that are difficult to handle analytically. In contrast to the existing literature about this PDE system, we consider here a dynamic boundary condition involving the Laplace-Beltrami operator for the order parameter. This boundary condition models an additional nonconserving phase transition occurring on the surface of the domain. Different well-posedness results are shown, depending on the smoothness properties of the involved bulk and surface free energies.

  • P. Colli, G. Gilardi, J. Sprekels, Recent results on the Cahn--Hilliard equation with dynamic boundary condition, Bulletin of the South Ural State University, Series: Mathematical Modelling, Programming and Computer Software, 10 (2017), pp. 5--21.

  • P. Exner, A.S. Kostenko, M.M. Malamud, H. Neidhardt, Infinite quantum graphs, Rossiiskaya Akademiya Nauk. Doklady Akademii Nauk, 472 (2017), pp. 253--258, DOI 10.1134/S1064562417010136 .
    Abstract
    Infinite quantum graphs with ?-interactions at vertices are studied without any assumptions on the lengths of edges of the underlying metric graphs. A connection between spectral properties of a quantum graph and a certain discrete Laplacian given on a graph with infinitely many vertices and edges is established. In particular, it is shown that these operators are self-adjoint, lower semibounded, nonnegative, discrete, etc. only simultaneously.

  • P. Krejčí, E. Rocca, J. Sprekels, Unsaturated deformable porous media flow with thermal phase transition, Mathematical Models & Methods in Applied Sciences, 27 (2017), pp. 2675--2710, DOI 10.1142/S0218202517500555 .
    Abstract
    In the present paper, a continuum model is introduced for fluid flow in a deformable porous medium, where the fluid may undergo phase transitions. Typically, such problems arise in modeling liquid-solid phase transformations in groundwater flows. The system of equations is derived here from the conservation principles for mass, momentum, and energy and from the Clausius-Duhem inequality for entropy. It couples the evolution of the displacement in the matrix material, of the capillary pressure, of the absolute temperature, and of the phase fraction. Mathematical results are proved under the additional hypothesis that inertia effects and shear stresses can be neglected. For the resulting highly nonlinear system of two PDEs, one ODE and one ordinary differential inclusion with natural initial and boundary conditions, existence of global in time solutions is proved by means of cut-off techniques and suitable Moser-type estimates.

  • M.M. Malamud, H. Neidhardt, H. Peller, A trace formula for functions of contractions and analytic operator Lipschitz functions, Comptes Rendus Mathematique. Academie des Sciences. Paris, 355 (2017), pp. 806--811, DOI 10.1016/j.crma.2017.06.003 .
    Abstract
    In this note, we study the problem of evaluating the trace of $f(T) - F(R)$, where $T$ and $R$ are contractions on a Hilbert space with trace class difference, i.e. $T-R in mathbf S_1$, and $f$ is a function analytic in the unit disk $mathbb D$. It is well known that if $f$ is an operator Lipschitz function analytic in $mathbb D$, then $f(T) - f(R) in mathbf S_1$. The main result of the note says that there exists a function $xi$ (a spectral shift function) on the unit circle $mathbb T$ of class $L^1(mathbb T)$ such that the following trace formula holds: $tr(f(T) - f(R))= int_mathbbT f'(zeta)xi(zeta)dzeta$, whenever $T$ and $R$ are contractions with $T-R in mathbf S_1$, and $f$ is an operator Lipschitz function analytic in $mathbb D$.

  • H. Meinlschmidt, Ch. Meyer, J. Rehberg, Optimal control of the thermistor problem in three spatial dimensions. Part 1: Existence of optimal solutions, SIAM Journal on Control and Optimization, 55 (2017), pp. 2876--2904, DOI 10.1137/16M1072644 .
    Abstract
    This paper is concerned with the state-constrained optimal control of the three-dimensional thermistor problem, a fully quasilinear coupled system of a parabolic and elliptic PDE with mixed boundary conditions. This system models the heating of a conducting material by means of direct current. Local existence, uniqueness and continuity for the state system are derived by employing maximal parabolic regularity in the fundamental theorem of Prüss. Global solutions are addressed, which includes analysis of the linearized state system via maximal parabolic regularity, and existence of optimal controls is shown if the temperature gradient is under control. The adjoint system involving measures is investigated using a duality argument. These results allow to derive first-order necessary conditions for the optimal control problem in form of a qualified optimality system. The theoretical findings are illustrated by numerical results.

  • H. Meinlschmidt, Ch. Meyer, J. Rehberg, Optimal control of the thermistor problem in three spatial dimensions. Part 2: Optimality conditions, SIAM Journal on Control and Optimization, 55 (2017), pp. 2368--2392, DOI 10.1137/16M1072656 .
    Abstract
    This paper is concerned with the state-constrained optimal control of the three-dimensional thermistor problem, a fully quasilinear coupled system of a parabolic and elliptic PDE with mixed boundary conditions. This system models the heating of a conducting material by means of direct current. Local existence, uniqueness and continuity for the state system are derived by employing maximal parabolic regularity in the fundamental theorem of Prüss. Global solutions are addressed, which includes analysis of the linearized state system via maximal parabolic regularity, and existence of optimal controls is shown if the temperature gradient is under control. The adjoint system involving measures is investigated using a duality argument. These results allow to derive first-order necessary conditions for the optimal control problem in form of a qualified optimality system. The theoretical findings are illustrated by numerical results.

  • M. Sawatzki, A.A. Hauke, D.H. Doan, P. Formanek, D. Kasemann, Th. Koprucki, K. Leo, On razors edge: Influence of the source insulator edge on the charge transport of vertical organic field effect transistors, MRS Advances, 2 (2017), pp. 1249--1257, DOI 10.1557/adv.2017.29 .
    Abstract
    To benefit from the many advantages of organic semiconductors like flexibility, transparency, and small thickness, electronic devices should be entirely made from organic materials. This means, additionally to organic LEDs, organic solar cells, and organic sensors, we need organic transistors to amplify, process, and control signals and electrical power. The standard lateral organic field effect transistor (OFET) does not offer the necessary performance for many of these applications. One promising candidate for solving this problem is the vertical organic field effect transistor (VOFET). In addition to the altered structure of the electrodes, the VOFET has one additional part compared to the OFET -- the source-insulator. However, the influence of the used material, the size, and geometry of this insulator on the behavior of the transistor has not yet been examined. We investigate key-parameters of the VOFET with different source insulator materials and geometries. We also present transmission electron microscopy (TEM) images of the edge area. Additionally, we investigate the charge transport in such devices using drift-diffusion simulations and the concept of a vertical organic light emitting transistor (VOLET). The VOLET is a VOFET with an embedded OLED. It allows the tracking of the local current density by measuring the light intensity distribution.
    We show that the insulator material and thickness only have a small influence on the performance, while there is a strong impact by the insulator geometry -- mainly the overlap of the insulator into the channel. By tuning this overlap, on/off-ratios of 9x105 without contact doping are possible,

  • J. Sprekels, E. Valdinoci, A new type of identification problems: Optimizing the fractional order in a nonlocal evolution equation, SIAM Journal on Control and Optimization, 55 (2017), pp. 70--93.
    Abstract
    In this paper, we consider a rather general linear evolution equation of fractional type, namely a diffusion type problem in which the diffusion operator is the power of a positive definite operator having a positive and discrete spectrum. We prove existence, uniqueness and differentiability properties with respect to the fractional parameter. These results are then employed to derive existence as well as first-order necessary and second-order sufficient optimality conditions for a minimization problem, which is inspired by considerations in mathematical biology. In this problem, the fractional parameter $s$ serves as the “control parameter” that needs to be chosen in such a way as to minimize a given cost functional. This problem constitutes a new classof identification problems: while usually in identification problems the type of the differential operator is prescribed and one or several of its coefficient functions need to be identified, in the present case one has to determine the type of the differential operator itself. This problem exhibits the inherent analytical difficulty that with changing fractional parameter also the domain of definition, and thus the underlying function space, of the fractional operator changes.

  • A. Glitzky, M. Liero, Analysis of p(x)-Laplace thermistor models describing the electrothermal behavior of organic semiconductor devices, Nonlinear Analysis. Real World Applications. An International Multidisciplinary Journal, 34 (2017), pp. 536--562.
    Abstract
    We study a stationary thermistor model describing the electrothermal behavior of organic semiconductor devices featuring non-Ohmic current-voltage laws and self-heating effects. The coupled system consists of the current-flow equation for the electrostatic potential and the heat equation with Joule heating term as source. The self-heating in the device is modeled by an Arrhenius-like temperature dependency of the electrical conductivity. Moreover, the non-Ohmic electrical behavior is modeled by a power law such that the electrical conductivity depends nonlinearly on the electric field. Notably, we allow for functional substructures with different power laws, which gives rise to a $p(x)$-Laplace-type problem with piecewise constant exponent. We prove the existence and boundedness of solutions in the two-dimensional case. The crucial point is to establish the higher integrability of the gradient of the electrostatic potential to tackle the Joule heating term. The proof of the improved regularity is based on Caccioppoli-type estimates, Poincaré inequalities, and a Gehring-type Lemma for the $p(x)$-Laplacian. Finally, Schauder's fixed-point theorem is used to show the existence of solutions.

  • M. Thomas, Ch. Zanini, Cohesive zone-type delamination in visco-elasticity, Discrete and Continuous Dynamical Systems -- Series S, 10 (2017), pp. 1487--1517, DOI 10.3934/dcdss.2017077 .
    Abstract
    We study a model for the rate-independent evolution of cohesive zone delamination in a visco-elastic solid, also exposed to dynamics effects. The main feature of this model, inspired by [Ortiz&Pandoli99Int.J.Numer.Meth.Eng.], is that the surface energy related to the crack opening depends on the history of the crack separation between the two sides of the crack path, and allows for different responses upon loading and unloading.

    Due to the presence of multivalued and unbounded operators featuring non-penetration and the `memory'-constraint in the strong formulation of the problem, we prove existence of a weaker notion of solution, known as semistable energetic solution, pioneered in [Roubicek09M2AS] and refined in [Rossi&Thomas15WIAS-Preprint2113].

  • P. Farrell, Th. Koprucki, J. Fuhrmann, Computational and analytical comparison of flux discretizations for the semiconductor device equations beyond Boltzmann statistics, Journal of Computational Physics, 346 (2017), pp. 497--513, DOI 10.1016/j.jcp.2017.06.023 .
    Abstract
    For a Voronoï 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.

  • P. Gussmann, A. Mielke, Linearized elasticity as Mosco-limit of finite elasticity in the presence of cracks, Advances in Calculus of Variations, pp. published online on 17.10.2017, urlhttps://doi.org/10.1515/acv-2017-0010, DOI 10.1515/acv-2017-0010 .
    Abstract
    The small-deformation limit of finite elasticity is considered in presence of a given crack. The rescaled finite energies with the constraint of global injectivity are shown to Gamma converge to the linearized elastic energy with a local constraint of noninterpenetrability along the crack.

  • M. Liero, J. Fuhrmann, A. Glitzky, Th. Koprucki, A. Fischer, S. Reineke, 3D electrothermal simulations of organic LEDs showing negative differential resistance, Optical and Quantum Electronics, 49 (2017), pp. 330/1--330/8, DOI 10.1007/s11082-017-1167-4 .
    Abstract
    Organic 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.

  • A. Mielke, M. Mittnenzweig, Convergence to equilibrium in energy-reaction-diffusion systems using vector-valued functional inequalities, Journal of Nonlinear Science, 28 (2018), pp. 765--806 (published online on 11.11.2017), DOI 10.1007/s00332-017-9427-9 .
    Abstract
    We discuss how the recently developed energy-dissipation methods for reactiondi usion systems can be generalized to the non-isothermal case. For this we use concave entropies in terms of the densities of the species and the internal energy, where the importance is that the equilibrium densities may depend on the internal energy. Using the log-Sobolev estimate and variants for lower-order entropies as well as estimates for the entropy production of the nonlinear reactions we give two methods to estimate the relative entropy by the total entropy production, namely a somewhat restrictive convexity method, which provides explicit decay rates, and a very general, but weaker compactness method.

  • A. Mielke, R. Rossi, G. Savaré, Global existence results for viscoplasticity at finite strain, Archive for Rational Mechanics and Analysis, 227 (2018), pp. 423--475 (published online on 20.09.2017), DOI 10.1007/s00205-017-1164-6 .
    Abstract

    We study a model for rate-dependent gradient plasticity at finite strain based on the multiplicative decomposition of the strain tensor, and investigate the existence of global-in-time solutions to the related PDE system. We reveal its underlying structure as a generalized gradient system, where the driving energy functional is highly nonconvex and features the geometric nonlinearities related to finite-strain elasticity as well as the multiplicative decomposition of finite-strain plasticity. Moreover, the dissipation potential depends on the left-invariant plastic rate and thus, depends on the plastic state variable.
    The existence theory is developed for a class of abstract, nonsmooth, and nonconvex gradient systems, for which we introduce suitable notions of solutions, namely energy-dissipation-balance (EDB) and energy-dissipation-inequality (EDI) solutions. Hence, we resort to the toolbox of the direct method of the calculus of variations to check that the specific energy and dissipation functionals for our viscoplastic models comply with the conditions of the general theory.
  • A. Mielke, C. Patz, Uniform asymptotic expansions for the infinite harmonic chain, Zeitschrift fur Analysis und ihre Anwendungen. Journal for Analysis and its Applications, 36 (2017), pp. 437--475, DOI 10.4171/ZAA/1596 .
    Abstract
    We study the dispersive behavior of waves in linear oscillator chains. We show that for general general dispersions it is possible to construct an expansion such that the remainder can be estimated by $1/t$ uniformly in space. In particalur we give precise asymptotics for the transition from the $1/t^1/2$ decay of nondegenerate wave numbers to the generate $1/t^1/3$ decay of generate wave numbers. This involves a careful description of the oscillatory integral involving the Airy function.

  • A. Mielke, R.I.A. Patterson, M.A. Peletier, D.R.M. Renger, Non-equilibrium thermodynamical principles for chemical reactions with mass-action kinetics, SIAM Journal on Applied Mathematics, 77 (2017), pp. 1562--1585, DOI 10.1137/16M1102240 .
    Abstract
    We study stochastic interacting particle systems that model chemical reaction networks on the micro scale, converging to the macroscopic Reaction Rate Equation. One abstraction level higher, we study the ensemble of such particle systems, converging to the corresponding Liouville transport equation. For both systems, we calculate the corresponding large deviations and show that under the condition of detailed balance, the large deviations induce a non-linear relation between thermodynamic fluxes and free energy driving force.

  • M. Radziunas, A. Zeghuzi, J. Fuhrmann, Th. Koprucki, H.-J. Wünsche, H. Wenzel, U. Bandelow, Efficient coupling of inhomogeneous current spreading and dynamic electro-optical models for broad-area edge-emitting semiconductor devices, Optical and Quantum Electronics, 49 (2017), pp. 332/1--332/8, DOI 10.1007/s11082-017-1168-3 .
    Abstract
    We extend a 2 (space) + 1 (time)-dimensional traveling wave model for broad-area edge-emitting 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.

Contributions to Collected Editions

  • M. Kantner, M. Mittnenzweig, Th. Koprucki, A hybrid quantum-classical modeling approach for electrically driven quantum dot devices, in: Proceedings of ``SPIE Photonics West 2018: Physics and Simulation of Optoelectronic Devices XXVI'', San Francisco, USA, 29.01.2018 - 01.02.2018, 10526, Society of Photo-Optical Instrumentation Engineers (SPIE), Bellingham, 2018, pp. 10526/1--10526/6, DOI 10.1117/12.2289185 .
    Abstract
    The design of electrically driven quantum light sources based on semiconductor quantum dots, such as singlephoton emitters and nanolasers, asks for modeling approaches combining classical device physics with cavity quantum electrodynamics. In particular, one has to connect the well-established fields of semi-classical semiconductor transport theory and the theory of open quantum systems. We present a first step in this direction by coupling the van Roosbroeck system with a Markovian quantum master equation in Lindblad form. The resulting hybrid quantum-classical system obeys the fundamental laws of non-equilibrium thermodynamics and provides a comprehensive description of quantum dot devices on multiple scales: It enables the calculation of quantum optical figures of merit (e.g. the second order intensity correlation function) together with the spatially resolved simulation of the current flow in realistic semiconductor device geometries in a unified way.

  • M. Thomas, A comparison of delamination models: Modeling, properties, and applications, in: Mathematical Analysis of Continuum Mechanics and Industrial Applications II, Proceedings of the International Conference CoMFoS16, P. VAN Meurs, M. Kimura, H. Notsu, eds., 30 of Mathematics for Industry, Springer Nature, Singapore, 2018, pp. 27--38, DOI 10.1007/978-981-10-6283-4_3 .
    Abstract
    This contribution presents recent results in the modeling and the analysis of delamination problems. It addresses adhesive contact, brittle, and cohesive zone models both in a quasistatic and a viscous, dynamic setting for the bulk part. Also different evolution laws for the delaminating surface are discussed.

  • A. Mielke, Three examples concerning the interaction of dry friction and oscillations, in: Trends on Applications of Mathematics to Mechanics, E. Rocca, U. Stefanelli, L. Truskinovsky, A. Visintin, eds., 27 of Springer INdAM Series, Springer International Publishing, Cham, 2018, pp. 159--177, DOI 10.1007/978-3-319-75940-1_8 .
    Abstract
    We discuss recent work concerning the interaction of dry friction, which is a rate independent effect, and temporal oscillations. First, we consider the temporal averaging of highly oscillatory friction coefficients. Here the effective dry friction is obtained as an infimal convolution. Second, we show that simple models with state-dependent friction may induce a Hopf bifurcation, where constant shear rates give rise to periodic behavior where sticking phases alternate with sliding motion. The essential feature here is the dependence of the friction coefficient on the internal state, which has an internal relaxation time. Finally, we present a simple model for rocking toy animal where walking is made possible by a periodic motion of the body that unloads the legs to be moved.

  • A. Mielke, Uniform exponential decay for reaction-diffusion systems with complex-balanced mass-action kinetics, in: Patterns of Dynamics, P. Gurevich, J. Hell, B. Sandstede, A. Scheel, eds., Proceedings in Mathematics & Statistics, Springer, 2017, pp. 149--171, DOI 10.1007/978-3-319-64173-7_10 .
    Abstract
    We consider reaction-diffusion systems on a bounded domain with no-flux boundary conditions. All reactions are given by the mass-action law and are assumed to satisfy the complex-balance condition. In the case of a diagonal diffusion matrix, the relative entropy is a Liapunov functional. We give an elementary proof for the Liapunov property as well a few explicit examples for the condition of complex or detailed balancing.
     
    We discuss three methods to obtain energy-dissipation estimates, which guarantee exponential decay of the relative entropy, all of which rely on the log-Sobolev estimate and suitable handling of the reaction terms as well as the mass-conservation relations. The three methods are (i) a convexification argument based on the author's joint work with Haskovec and Markowich, (ii) a series of analytical estimates derived by Desvillettes, Fellner, and Tang, and (iii) a compactness argument of developed by Glitzky and Hünlich.

  • M. Kantner, U. Bandelow, Th. Koprucki, H.-J. Wünsche, Simulation of quantum dot devices by coupling of quantum master equations and semi-classical transport theory, in: Proceedings of the 17th International Conference on Numerical Simulation of Optoelectronic Devices -- NUSOD 2017, J. Piprek, M. Willatzen, eds., IEEE Conference Publications Management Group, Piscataway, 2017, pp. 217--218.

  • TH. Koprucki, M. Kohlhaase, D. Müller, K. Tabelow, Mathematical models as research data in numerical simulation of opto-electronic devices, in: Numerical Simulation of Optoelectronic Devices (NUSOD), 2017, pp. 225-- 226, DOI 10.1109/NUSOD.2017.8010073 .
    Abstract
    Mathematical models are the foundation of numerical simulation of optoelectronic devices. We present a concept for a machine-actionable as well as human-understandable representation of the mathematical knowledge they contain and the domain-specific knowledge they are based on. We propose to use theory graphs to formalize mathematical models and model pathway diagrams to visualize them. We illustrate our approach by application to the stationary one-dimensional drift-diffusion equations (van Roosbroeck system).

  • M. Liero, A. Fischer, J. Fuhrmann, Th. Koprucki, A. Glitzky, A PDE model for electrothermal feedback in organic semiconductor devices, in: Progress in Industrial Mathematics at ECMI 2016, P. Quintela, P. Barral, D. Gómez, F.J. Pena, J. Rodrígues, P. Salgado, M.E. Vázquez-Méndez, eds., 26 of Mathematics in Industry, Springer International Publishing AG, Cham, 2017, pp. 99--106.

  • M. Liero, J. Fuhrmann, A. Glitzky, Th. Koprucki, A. Fischer, S. Reineke, Modeling and simulation of electrothermal feedback in large-area organic LEDs, in: Proceedings of the 17th International Conference on Numerical Simulation of Optoelectronic Devices -- NUSOD 2017, J. Piprek, M. Willatzen, eds., IEEE Conference Publications Management Group, Piscataway, 2017, pp. 105--106, DOI 10.1109/NUSOD.2017.8010013 .

  • M. Bulíček, A. Glitzky, M. Liero, Thermistor systems of p(x)-Laplace-type with discontinuous exponents via entropy solutions, in: PDE 2015: Theory and Applications of Partial Differential Equations, H.-Chr. Kaiser, D. Knees, A. Mielke, J. Rehberg, E. Rocca, M. Thomas, E. Valdinoci, eds., 10 of Discrete and Continuous Dynamical Systems, Series S, no. 4, American Institute of Mathematical Sciences, Springfield, 2017, pp. 697--713.
    Abstract
    We show the existence of solutions to a system of elliptic PDEs, that was recently introduced to describe the electrothermal behavior of organic semiconductor devices. Here, two difficulties appear: (i) the elliptic term in the current-flow equation is of p(x)-Laplacian-type with discontinuous exponent p, which limits the use of standard methods, and (ii) in the heat equation, we have to deal with an a priori L1 term on the right hand side describing the Joule heating in the device. We prove the existence of a weak solution under very weak assumptions on the data. Our existence proof is based on Schauder's fixed point theorem and the concept of entropy solutions for the heat equation. Here, the crucial point is the continuous dependence of the entropy solutions on the data of the problem.

  • P. Colli, J. Sprekels, Optimal boundary control of a nonstandard Cahn--Hilliard system with dynamic boundary condition and double obstacle inclusions, in: Solvability, Regularity, and Optimal Control of Boundary Value Problems for PDEs: In Honour of Prof. Gianni Gilardi, P. Colli, A. Favini, E. Rocca, G. Schimperna, J. Sprekels, eds., 22 of Springer INdAM Series, Springer International Publishing AG, Cham, 2017, pp. 151--182, DOI 10.1007/978-3-319-64489-9 .
    Abstract
    In this paper, we study an optimal boundary control problem for a model for phase separation taking place in a spatial domain that was introduced by P.Podio-Guidugli in Ric. Mat. 55 (2006), pp.105-118. The model consists of a strongly coupled system of nonlinear parabolic differential inclusions, in which products between the unknown functions and their time derivatives occur that are difficult to handle analytically; the system is complemented by initial and boundary conditions. For the order parameter of the phase separation process, a dynamic boundary condition involving the Laplace-Beltrami operator is assumed, which models an additional nonconserving phase transition occurring on the surface of the domain. We complement in this paper results that were established in the recent contribution appeared in Evol. Equ. Control Theory 6 (2017), pp. 35-58, by the two authors and Gianni Gilardi. In contrast to that paper, in which differentiable potentials of logarithmic type were considered, we investigate here the (more difficult) case of nondifferentiable potentials of double obstacle type. For such nonlinearities, the standard techniques of optimal control theory to establish the existence of Lagrange multipliers for the state constraints are known to fail. To overcome these difficulties, we employ the following line of approach: we use the results contained in the preprint arXiv:1609.07046 [math.AP] (2016), pp. 1-30, for the case of (differentiable) logarithmic potentials and perform a so-called "deep quench limit". Using compactness and monotonicity arguments, it is shown that this strategy leads to the desired first-order necessary optimality conditions for the case of (nondifferentiable) double obstacle potentials.

  • Y. Granovskyi, M.M. Malamud, H. Neidhardt, A. Posilicano, To the spectral theory of vector-valued Sturm--Liouville operators with summable potentials and point interactions, in: Functional Analysis and Operator Theory for Quantum Physics, J. Dittrich, H. Kovarik, A. Laptev, eds., EMS Series of Congress Reports, EMS Publishing House, 2017, pp. 271--313, DOI 10.4171/175-1/15 .

  • M. Kohlhase, Th. Koprucki, D. Müller, K. Tabelow, Mathematical models as research data via flexiformal theory graphs, in: Intelligent Computer Mathematics: 10th International Conference, CICM 2017, Edinburgh, UK, July 17--21, 2017, Proceedings, H. Geuvers, M. England, O. Hasan, F. Rabe , O. Teschke, eds., 10383 of Lecture Notes in Artificial Intelligence and Lecture Notes in Computer Science, Springer International Publishing AG, Cham, 2017, pp. 224--238, DOI 10.1007/978-3-319-62075-6_16 .
    Abstract
    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 Roosbroeck's 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.

  • B. Drees, Th. Koprucki, Make the most of your visual simulation data: The TIB AV-Portal enables citation of simulation results and increases their visibility, in: Proceedings of the 17th International Conference on Numerical Simulation of Optoelectronic Devices -- NUSOD 2017, J. Piprek, M. Willatzen, eds., IEEE Conference Publications Management Group, Piscataway, 2017, pp. 227-- 228, DOI 10.1109/NUSOD.2017.8010074 .
    Abstract
    There still exists no common standard on how to publish and cite visualisations of simulation data. We introduce the TIB AV-Portal as a sustainable infrastructure for audio-visual data using a combination of digital object identifiers (DOI) and media fragment identifiers (MFID) to cite these data in accordance with scientific standards. The benefits and opportunities of enhancing publications with visual data are illustrated by showing a use case from opto-electronics.

  • P. Farrell, Th. Koprucki, J. Fuhrmann, Comparision of Scharfetter--Gummel flux discretizations under Blakemore statistics, in: Progress in Industrial Mathematics at ECMI 2016, P. Quintela, P. Barral, D. Gómez, F.J. Pena, J. Rodrígues, P. Salgado, M.E. Vázquez-Méndez, eds., 26 of Mathematics in Industry, Springer International Publishing AG, Cham, 2017, pp. 91--98.

  • P. Farrell, Th. Koprucki, J. Fuhrmann, Comparison of consistent flux discretizations for drift diffusion beyond Boltzmann statistics, in: Proceedings of the 17th International Conference on Numerical Simulation of Optoelectronic Devices -- NUSOD 2017, J. Piprek, M. Willatzen, eds., IEEE Conference Publications Management Group, Piscataway, 2017, pp. 219--220, DOI 10.1109/NUSOD.2017.8010070 .

  • J. Fuhrmann, A. Glitzky, M. Liero, Hybrid finite-volume/finite-element schemes for p(x)-Laplace thermistor models, in: Finite Volumes for Complex Applications VIII -- Hyperbolic, Elliptic and Parabolic Problems, FVCA 8, Lille, France, June 2017, C. Cancès, P. Omnes, eds., 200 of Springer Proceedings in Mathematics & Statistics, Springer International Publishing AG, Cham, 2017, pp. 397--405, DOI 10.1007/978-3-319-57394-6_42 .

  • A. Mielke, D. Peschka, N. Rotundo, M. Thomas, On some extension of energy-drift-diffusion models: Gradient structure for optoelectronic models of semiconductors, in: Progress in Industrial Mathematics at ECMI 2016, P. Quintela, P. Barral, D. Gómez, F.J. Pena, J. Rodrígues, P. Salgado, M.E. Vázquez-Méndez, eds., 26 of Mathematics in Industry, Springer International Publishing AG, Cham, 2017, pp. 291--298.

  • M. Radziunas, A. Zeghuzi, J. Fuhrmann, Th. Koprucki, H.-J. Wünsche, H. Wenzel, U. Bandelow, Efficient coupling of inhomogeneous current spreading and electro-optical models for simulation of dynamics in broad-area semiconductor lasers, in: Proceedings of the 17th International Conference on Numerical Simulation of Optoelectronic Devices -- NUSOD 2017, J. Piprek, M. Willatzen, eds., IEEE Conference Publications Management Group, Piscataway, 2017, pp. 231--232.

Preprints, Reports, Technical Reports

  • P. Colli, G. Gilardi, J. Sprekels, Well-posedness and regularity for a generalized fractional Cahn--Hilliard system, Preprint no. 2509, WIAS, Berlin, 2018, DOI 10.20347/WIAS.PREPRINT.2509 .
    Abstract, PDF (309 kByte)
    In this paper, we investigate a rather general system of two operator equations that has the structure of a viscous or nonviscous Cahn--Hilliard system in which nonlinearities of double-well type occur. Standard cases like regular or logarithmic potentials, as well as non-differentiable potentials involving indicator functions, are admitted. The operators appearing in the system equations are fractional versions of general linear operators A and B, where the latter are densely defined, unbounded, self-adjoint and monotone in a Hilbert space of functions defined in a smooth domain and have compact resolvents. In this connection, we remark the fact that our definition of the fractional power of operators uses the approach via spectral theory. Typical cases are given by standard second-order elliptic differential operators (e.g., the Laplacian) with zero Dirichlet or Neumann boundary conditions, but also other cases like fourth-order systems or systems involving the Stokes operator are covered by the theory. We derive in this paper general well-posedness and regularity results that extend corresponding results which are known for either the non-fractional Laplacian with zero Neumann boundary condition or the fractional Laplacian with zero Dirichlet condition. These results are entirely new if at least one of the operators A and B differs from the Laplacian. It turns out that the first eigenvalue λ1 of A plays an important und not entirely obvious role: if λ1 is positive, then the operators A and B may be completely unrelated; if, however, λ1 equals zero, then it must be simple and the corresponding one-dimensional eigenspace has to consist of the constant functions and to be a subset of the domain of definition of a certain fractional power of B. We are able to show general existence, uniqueness, and regularity results for both these cases, as well as for both the viscous and the nonviscous system.

  • K. Disser, J. Rehberg, The 3D transient semiconductor equations with gradient-dependent and interfacial recombination, Preprint no. 2507, WIAS, Berlin, 2018, DOI 10.20347/WIAS.PREPRINT.2507 .
    Abstract, PDF (325 kByte)
    We establish the well-posedness of the transient van Roosbroeck system in three space dimensions under realistic assumptions on the data: non-smooth domains, discontinuous coefficient functions and mixed boundary conditions. Moreover, within this analysis, recombination terms may be concentrated on surfaces and interfaces and may not only depend on charge-carrier densities, but also on the electric field and currents. In particular, this includes Avalanche recombination. The proofs are based on recent abstract results on maximal parabolic and optimal elliptic regularity of divergence-form operators.

  • D. Peschka, N. Rotundo, M. Thomas, Doping optimization for optoelectronic devices, Preprint no. 2501, WIAS, Berlin, 2018, DOI 10.20347/WIAS.PREPRINT.2501 .
    Abstract, PDF (3715 kByte)
    We 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 drift-diffusion 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.

  • L. Adam, M. Hintermüller, D. Peschka, Th.M. Surowiec, Optimization of a multiphysics problem in semiconductor laser design, Preprint no. 2500, WIAS, Berlin, 2018, DOI 10.20347/WIAS.PREPRINT.2500 .
    Abstract, PDF (1472 kByte)
    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.

  • A. Bacho, E. Emmrich, A. Mielke, An existence result and evolutionary Γ-convergence for perturbed gradient systems, Preprint no. 2499, WIAS, Berlin, 2018, DOI 10.20347/WIAS.PREPRINT.2499 .
    Abstract, PDF (658 kByte)
    We consider the initial-value problem for the perturbed gradient flows, where a differential inclusion is formulated in terms of a subdifferential of an energy functional, a subdifferential of a dissipation potential and a more general perturbation, which is assumed to be continuous and to satisfy a suitable growth condition. Under additional assumptions on the dissipation potential and the energy functional, existence of strong solutions is shown by proving convergence of a semi-implicit discretization scheme with a variational approximation technique.

  • M. Patriarca, P. Farrell, J. Fuhrmann, Th. Koprucki, Highly accurate quadrature-based Scharfetter--Gummel schemes for charge transport in degenerate semiconductors, Preprint no. 2498, WIAS, Berlin, 2018, DOI 10.20347/WIAS.PREPRINT.2498 .
    Abstract, PDF (646 kByte)
    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 Voronoï 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 Newton's 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.

  • G. Gilardi, J. Sprekels, Asymptotic limits and optimal control for the Cahn--Hilliard system with convection and dynamic boundary conditions, Preprint no. 2495, WIAS, Berlin, 2018, DOI 10.20347/WIAS.PREPRINT.2495 .
    Abstract, PDF (311 kByte)
    In this paper, we study initial-boundary value problems for the Cahn--Hilliard system with convection and nonconvex potential, where dynamic boundary conditions are assumed for both the associated order parameter and the corresponding chemical potential. While recent works addressed the case of viscous Cahn--Hilliard systems, the `pure' nonviscous case is investigated here. In its first part, the paper deals with the asymptotic behavior of the solutions as time approaches infinity. It is shown that the $omega$-limit of any trajectory can be characterized in terms of stationary solutions, provided the initial data are sufficiently smooth. The second part of the paper deals with the optimal control of the system by the fluid velocity. Results concerning existence and first-order necessary optimality conditions are proved. Here, we have to restrict ourselves to the case of everywhere defined smooth potentials. In both parts of the paper, we start from corresponding known results for the viscous case, derive sufficiently strong estimates that are uniform with respect to the (positive) viscosity parameter, and then let the viscosity tend to zero to establish the sought results for the nonviscous case.

  • P. Colli, G. Gilardi, J. Sprekels, On the longtime behavior of a viscous Cahn--Hilliard system with convection and dynamic boundary conditions, Preprint no. 2494, WIAS, Berlin, 2018, DOI 10.20347/WIAS.PREPRINT.2494 .
    Abstract, PDF (189 kByte)
    In this paper, we study the longtime asymptotic behavior of a phase separation process occurring in a three-dimensional domain containing a fluid flow of given velocity. This process is modeled by a viscous convective Cahn--Hilliard system, which consists of two nonlinearly coupled second-order partial differential equations for the unknown quantities, the chemical potential and an order parameter representing the scaled density of one of the phases. In contrast to other contributions, in which zero Neumann boundary conditions were are assumed for both the chemical potential and the order parameter, we consider the case of dynamic boundary conditions, which model the situation when another phase transition takes place on the boundary. The phase transition processes in the bulk and on the boundary are driven by free energies functionals that may be nondifferentiable and have derivatives only in the sense of (possibly set-valued) subdifferentials. For the resulting initial-boundary value system of Cahn--Hilliard type, general well-posedness results have been established in piera recent contribution by the same authors. In the present paper, we investigate the asymptotic behavior of the solutions as times approaches infinity. More precisely, we study the ω-limit (in a suitable topology) of every solution trajectory. Under the assumptions that the viscosity coefficients are strictly positive and that at least one of the underlying free energies is differentiable, we prove that the omegalimit is meaningful and that all of its elements are solutions to the corresponding stationary system, where the component representing the chemical potential is a constant.

  • D.H. Doan, A. Glitzky, M. Liero, Drift-diffusion modeling, analysis and simulation of organic semiconductor devices, Preprint no. 2493, WIAS, Berlin, 2018, DOI 10.20347/WIAS.PREPRINT.2493 .
    Abstract, PDF (563 kByte)
    We discuss drift-diffusion models for charge-carrier transport in organic semiconductor devices. The crucial feature in organic materials is the energetic disorder due to random alignment of molecules and the hopping transport of carriers between adjacent energetic sites. The former leads to so-called Gauss-Fermi statistics, which describe the occupation of energy levels by electrons and holes. The latter gives rise to complicated mobility models with a strongly nonlinear dependence on temperature, density of carriers, and electric field strength. We present the state-of-the-art modeling of the transport processes and provide a first existence result for the stationary drift-diffusion model taking all of the peculiarities of organic materials into account. The existence proof is based on Schauder's fixed-point theorem. Finally, we discuss the numerical discretization of the model using finite-volume methods and a generalized Scharfetter-Gummel scheme for the Gauss-Fermi statistics.

  • P. Farrell, D. Peschka, Challenges for drift-diffusion simulations of semiconductors: A comparative study of different discretization philosophies, Preprint no. 2486, WIAS, Berlin, 2018, DOI 10.20347/WIAS.PREPRINT.2486 .
    Abstract, PDF (2457 kByte)
    We 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.

  • D. Peschka, Variational approach to contact line dynamics for thin films, Preprint no. 2477, WIAS, Berlin, 2018, DOI 10.20347/WIAS.PREPRINT.2477 .
    Abstract, PDF (713 kByte)
    This paper investigates a variational approach to viscous flows with contact line dynamics based on energy-dissipation modeling. The corresponding model is reduced to a thin-film equation and its variational structure is also constructed and discussed. Feasibility of this modeling approach is shown by constructing a numerical scheme in 1D and by computing numerical solutions for the problem of gravity driven droplets. Some implications of the contact line model are highlighted in this setting.

  • S. Frigeri, M. Grasselli, J. Sprekels, Optimal distributed control of two-dimensional nonlocal Cahn--Hilliard--Navier--Stokes systems with degenerate mobility and singular potential, Preprint no. 2473, WIAS, Berlin, 2018, DOI 10.20347/WIAS.PREPRINT.2473 .
    Abstract, PDF (370 kByte)
    In this paper, we consider a two-dimensional diffuse interface model for the phase separation of an incompressible and isothermal binary fluid mixture with matched densities. This model consists of the Navier-Stokes equations, nonlinearly coupled with a convective nonlocal Cahn-Hilliard equation. The system rules the evolution of the volume-averaged velocity of the mixture and the (relative) concentration difference of the two phases. The aim of this work is to study an optimal control problem for such a system, the control being a time-dependent external force acting on the fluid. We first prove the existence of an optimal control for a given tracking type cost functional. Then we study the differentiability properties of the control-to-state map, and we establish first-order necessary optimality conditions. These results generalize the ones obtained by the first and the third authors jointly with E. Rocca in [19]. There the authors assumed a constant mobility and a regular potential with polynomially controlled growth. Here, we analyze the physically more relevant case of a degenerate mobility and a singular (e.g., logarithmic) potential. This is made possible by the existence of a unique strong solution which was recently proved by the authors and C. G. Gal in [14].

  • M. Heida, S. Neukamm, M. Varga, Stochastic unfolding and homogenization, Preprint no. 2460, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2460 .
    Abstract, PDF (596 kByte)
    The notion of periodic two-scale convergence and the method of periodic unfolding are prominent and useful tools in multiscale modeling and analysis of PDEs with rapidly oscillating periodic coefficients. In this paper we are interested in the theory of stochastic homogenization for continuum mechanical models in form of PDEs with random coefficients, describing random heterogeneous materials. The notion of periodic two-scale convergence has been extended in different ways to the stochastic case. In this work we introduce a stochastic unfolding method that features many similarities to periodic unfolding. In particular it allows to characterize the notion of stochastic two-scale convergence in the mean by mere convergence in an extended space. We illustrate the method on the (classical) example of stochastic homogenization of convex integral functionals, and prove a stochastic homogenization result for an non-convex evolution equation of Allen-Cahn type. Moreover, we discuss the relation of stochastic unfolding to previously introduced notions of (quenched and mean) stochastic two-scale convergence. The method introduced in this paper extends discrete stochastic unfolding, as recently introduced by the second and third author in the context of discrete-to-continuum transition.

  • P. Dondl, Th. Frenzel, A. Mielke, A gradient system with a wiggly energy and relaxed EDP-convergence, Preprint no. 2459, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2459 .
    Abstract, PDF (1732 kByte)
    If gradient systems depend on a microstructure, we want to derive a macroscopic gradient structure describing the effective behavior of the microscopic system. We introduce a notion of evolutionary Gamma-convergence that relates the microscopic energy and the microscopic dissipation potential with their macroscopic limits via Gamma-convergence. We call this notion relaxed EDP-convergence since the special structure of the dissipation functional may not be preserved under Gamma-convergence. However, by investigating the kinetic relation we derive the macroscopic dissipation potential.

  • V. Laschos, A. Mielke, Geometric properties of cones with applications on the Hellinger--Kantorovich space, and a new distance on the space of probability measures, Preprint no. 2458, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2458 .
    Abstract, PDF (446 kByte)
    By studying general geometric properties of cone spaces, we prove the existence of a distance on the space of Probability measures that turns the Hellinger--Kantorovich space into a cone space over the space of probabilities measures. Here we exploit a natural two-parameter scaling property of the Hellinger-Kantorovich distance. For the new space, we obtain a full characterization of the geodesics. We also provide new geometric properties for the original space, including a two-parameter rescaling and reparametrization of the geodesics, local-angle condition and some partial K-semiconcavity of the squared distance, that it will be used in a future paper to prove existence of gradient flows.

  • M. Thomas, C. Bilgen, K. Weinberg, Analysis and simulations for a phase-field fracture model at finite strains based on modified invariants, Preprint no. 2456, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2456 .
    Abstract, PDF (1542 kByte)
    Phase-field models have already been proven to predict complex fracture patterns in two and three dimensions for brittle fracture at small strains. In this paper we discuss a model for phase-field fracture at finite deformations in more detail. Among the identification of crack location and projection of crack growth the numerical stability is one of the main challenges in solid mechanics. We here present a phase-field model at finite strains, which takes into account the anisotropy of damage by applying an anisotropic split and the modified invariants of the right Cauchy-Green strain tensor. We introduce a suitable weak notion of solution that also allows for a spatial and temporal discretization of the model. In this framework we study the existence of solutions %Second the mathematical background of the approach is examined and and we show that the time-discrete solutions converge in a weak sense to a solution of the time-continuous formulation of the model. Numerical examples in two and three space dimensions are carried out in the range of validity of the analytical results.

  • M. Heida, R. Kornhuber, J. Podlesny, Fractal homogenization of a multiscale interface problem, Preprint no. 2453, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2453 .
    Abstract, PDF (762 kByte)
    Inspired from geological problems, we introduce a new geometrical setting for homogenization of a well known and well studied problem of an elliptic second order differential operator with jump condition on a multiscale network of interfaces. The geometrical setting is fractal and hence neither periodic nor stochastic methods can be applied to the study of such kind of multiscale interface problem. Instead, we use the fractal nature of the geometric structure to introduce smoothed problems and apply methods from a posteriori theory to derive an estimate for the order of convergence. Computational experiments utilizing an iterative homogenization approach illustrate that the theoretically derived order of convergence of the approximate problems is close to optimal.

  • O. Burylko, A. Mielke, M. Wolfrum, S. Yanchuk, Coexistence of Hamiltonian-like and dissipative dynamics in chains of coupled phase oscillators with skew-symmetric coupling, Preprint no. 2447, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2447 .
    Abstract, PDF (3022 kByte)
    We consider rings of coupled phase oscillators with anisotropic coupling. When the coupling is skew-symmetric, i. e. when the anisotropy is balanced in a specific way, the system shows robustly a coexistence of Hamiltonian-like and dissipative regions in the phase space. We relate this phenomenon to the time-reversibility property of the system. The geometry of low-dimensional systems up to five oscillators is described in detail. In particular, we show that the boundary between the dissipative and Hamiltonian-like regions consists of families of heteroclinic connections. For larger chains with skew-symmetric coupling, some sufficient conditions for the coexistence are provided, and in the limit of N → ∞ oscillators, we formally derive an amplitude equation for solutions in the neighborhood of the synchronous solution. It has the form of a nonlinear Schrödinger equation and describes the Hamiltonian-like region existing around the synchronous state similarly to the case of finite rings.

  • P. Colli, G. Gilardi, J. Sprekels, Optimal velocity control of a convective Cahn--Hilliard system with double obstacles and dynamic boundary conditions: A `deep quench' approach, Preprint no. 2428, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2428 .
    Abstract, PDF (257 kByte)
    In this paper, we investigate a distributed optimal control problem for a convective viscous Cahn-Hilliard system with dynamic boundary conditions. Such systems govern phase separation processes between two phases taking place in an incompressible fluid in a container and, at the same time, on the container boundary. The cost functional is of standard tracking type, while the control is exerted by the velocity of the fluid in the bulk. In this way, the coupling between the state (given by the associated order parameter and chemical potential) and control variables in the governing system of nonlinear partial differential equations is bilinear, which presents a difficulty for the analysis. In contrast to the previous paper Optimal velocity control of a viscous Cahn-Hilliard system with convection and dynamic boundary conditions by the same authors, the bulk and surface free energies are of double obstacle type, which renders the state constraint nondifferentiable. It is well known that for such cases standard constraint qualifications are not satisfied so that standard methods do not apply to yield the existence of Lagrange multipliers. In this paper, we overcome this difficulty by taking advantage of results established in the quoted paper for logarithmic nonlinearities, using a so-called `deep quench approximation'. We derive results concerning the existence of optimal controls and the first-order necessary optimality conditions in terms of a variational inequality and the associated adjoint system.

  • L. Donati, M. Heida, M. Weber, B. Keller, Estimation of the infinitesimal generator by square-root approximation, Preprint no. 2416, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2416 .
    Abstract, PDF (1739 kByte)
    For the analysis of molecular processes, the estimation of time-scales, i.e., transition rates, is very important. Estimating the transition rates between molecular conformations is -- from a mathematical point of view -- an invariant subspace projection problem. A certain infinitesimal generator acting on function space is projected to a low-dimensional rate matrix. This projection can be performed in two steps. First, the infinitesimal generator is discretized, then the invariant subspace is approximated and used for the subspace projection. In our approach, the discretization will be based on a Voronoi tessellation of the conformational space. We will show that the discretized infinitesimal generator can simply be approximated by the geometric average of the Boltzmann weights of the Voronoi cells. Thus, there is a direct correlation between the potential energy surface of molecular structures and the transition rates of conformational changes. We present results for a 2d-diffusion process and Alanine dipeptide.

  • P. Gurevich, S. Reichelt, Pulses in FitzHugh--Nagumo systems with rapidly oscillating coefficients, Preprint no. 2413, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2413 .
    Abstract, PDF (1751 kByte)
    This paper is devoted to pulse solutions in FitzHugh-Nagumo systems that are coupled parabolic equations with rapidly periodically oscillating coefficients. In the limit of vanishing periods, there arises a two-scale FitzHugh-Nagumo system, which qualitatively and quantitatively captures the dynamics of the original system. We prove existence and stability of pulses in the limit system and show their proximity on any finite time interval to pulse-like solutions of the original system.

  • M. Liero, S. Melchionna, The weighted energy-dissipation principle and evolutionary Gamma-convergence for doubly nonlinear problems, Preprint no. 2411, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2411 .
    Abstract, PDF (392 kByte)
    We consider a family of doubly nonlinear evolution equations that is given by families of convex dissipation potentials, nonconvex energy functionals, and external forces parametrized by a small parameter ε. For each of these problems, we introduce the so-called weighted energy-dissipation (WED) functional, whose minimizer correspond to solutions of an elliptic-in-time regularization of the target problems with regularization parameter δ. We investigate the relation between the Γ-convergence of the WED functionals and evolutionary Γ-convergence of the associated systems. More precisely, we deal with the limits δ→0, ε→0, as well as δ+ ε→0 either in the sense of Γ-convergence of functionals or in the sense of evolutionary Γ-convergence of functional-driven evolution problems, or both. Additionally, we provide some quantitative estimates on the rate of convergence for the limit ε→0, in the case of quadratic dissipation potentials and uniformly λ-convex energy functionals. Finally, we discuss a homogenization problem as an example of application.

  • R. Rossi, M. Thomas, From nonlinear to linear elasticity in a coupled rate-dependent/independent system for brittle delamination, Preprint no. 2409, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2409 .
    Abstract, PDF (291 kByte)
    We revisit the weak, energetic-type existence results obtained in [Rossi/Thomas-ESAIM-COCV-21(1):1-59,2015] for a system for rate-independent, brittle delamination between two visco-elastic, physically nonlinear bulk materials and explain how to rigorously extend such results to the case of visco-elastic, linearly elastic bulk materials. Our approximation result is essentially based on deducing the Mosco-convergence of the functionals involved in the energetic formulation of the system. We apply this approximation result in two different situations: Firstly, to pass from a nonlinearly elastic to a linearly elastic, brittle model on the time-continuous level, and secondly, to pass from a time-discrete to a time-continuous model using an adhesive contact approximation of the brittle model, in combination with a vanishing, super-quadratic regularization of the bulk energy. The latter approach is beneficial if the model also accounts for the evolution of temperature.

  • P. Dupuis, V. Laschos, K. Ramanan, Exit time risk-sensitive stochastic control problems related to systems of cooperative agents, Preprint no. 2407, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2407 .
    Abstract, PDF (447 kByte)
    We study sequences, parametrized by the number of agents, of exit time stochastic control problems with risk-sensitive costs structures generate by unbounded costs. We identify a fully characterizing assumption, under which, each of them corresponds to a risk-neutral stochastic control problem with additive cost, and also to a risk-neutral stochastic control problem on the simplex, where the specific information about the state of each agent can be discarded. We finally prove that, under some additional assumptions, the sequence of value functions converges to the value function of a deterministic control problem.

  • M. Heida, On convergences of the squareroot approximation scheme to the Fokker--Planck operator, Preprint no. 2399, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2399 .
    Abstract, PDF (592 kByte)
    We study the qualitative convergence properties of a finite volume scheme that recently was proposed by Lie, Fackeldey and Weber [SIAM Journal on Matrix Analysis and Applications 2013 (34/2)] in the context of conformation dynamics. The scheme was derived from physical principles and is called the squareroot approximation (SQRA) scheme. We show that solutions to the SQRA equation converge to solutions of the Fokker-Planck equation using a discrete notion of G-convergence. Hence the squareroot approximation turns out to be a usefull approximation scheme to the Fokker-Planck equation in high dimensional spaces. As an example, in the special case of stationary Voronoi tessellations we use stochastic two-scale convergence to prove that this setting satisfies the G-convergence property. In particular, the class of tessellations for which the G-convergence result holds is not trivial.

  • P. Colli, G. Gilardi, J. Sprekels, On a Cahn--Hilliard system with convection and dynamic boundary conditions, Preprint no. 2391, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2391 .
    Abstract, PDF (291 kByte)
    This paper deals with an initial and boundary value problem for a system coupling equation and boundary condition both of Cahn--Hilliard type; an additional convective term with a forced velocity field, which could act as a control on the system, is also present in the equation. Either regular or singular potentials are admitted in the bulk and on the boundary. Both the viscous and pure Cahn--Hilliard cases are investigated, and a number of results is proven about existence of solutions, uniqueness, regularity, continuous dependence, uniform boundedness of solutions, strict separation property. A complete approximation of the problem, based on the regularization of maximal monotone graphs and the use of a Faedo--Galerkin scheme, is introduced and rigorously discussed.

  • S. Bartels, M. Milicevic, M. Thomas, Numerical approach to a model for quasistatic damage with spatial $BV$-regularization, Preprint no. 2388, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2388 .
    Abstract, PDF (566 kByte)
    We address a model for rate-independent, partial, isotropic damage in quasistatic small strain linear elasticity, featuring a damage variable with spatial BV-regularization. Discrete solutions are obtained using an alternate time-discrete scheme and the Variable-ADMM algorithm to solve the constrained nonsmooth optimization problem that determines the damage variable at each time step. We prove convergence of the method and show that discrete solutions approximate a semistable energetic solution of the rate-independent system. Moreover, we present our numerical results for two benchmark problems.

  • A.F.M. TER Elst, J. Rehberg, Consistent operator semigroups and their interpolation, Preprint no. 2382, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2382 .
    Abstract, PDF (231 kByte)
    Under a mild regularity condition we prove that the generator of the interpolation of two C0-semigroups is the interpolation of the two generators.

  • F. Flegel, M. Heida, M. Slowik, Homogenization theory for the random conductance model with degenerate ergodic weights and unbounded-range jumps, Preprint no. 2371, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2371 .
    Abstract, PDF (598 kByte)
    We study homogenization properties of the discrete Laplace operator with random conductances on a large domain in Zd. More precisely, we prove almost-sure homogenization of the discrete Poisson equation and of the top of the Dirichlet spectrum. We assume that the conductances are stationary, ergodic and nearest-neighbor conductances are positive. In contrast to earlier results, we do not require uniform ellipticity but certain integrability conditions on the lower and upper tails of the conductances. We further allow jumps of arbitrary length. Without the long-range connections, the integrability condition on the lower tail is optimal for spectral homogenization. It coincides with a necessary condition for the validity of a local central limit theorem for the random walk among random conductances. As an application of spectral homogenization, we prove a quenched large deviation principle for thenormalized and rescaled local times of the random walk in a growing box. Our proofs are based on a compactness result for the Laplacian's Dirichlet energy, Poincaré inequalities, Moser iteration and two-scale convergence

  • P. Colli, G. Gilardi, J. Sprekels, Limiting problems for a nonstandard viscous Cahn--Hilliard system with dynamic boundary conditions, Preprint no. 2369, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2369 .
    Abstract, PDF (353 kByte)
    This note is concerned with a nonlinear diffusion problem of phase-field type, consisting of a parabolic system of two partial differential equations, complemented by boundary and initial conditions. The system arises from a model of two-species phase segregation on an atomic lattice and was introduced by Podio-Guidugli in Ric. Mat. 55 (2006), pp.105--118. The two unknowns are the phase parameter and the chemical potential. In contrast to previous investigations about this PDE system, we consider here a dynamic boundary condition for the phase variable that involves the Laplace-Beltrami operator and models an additional nonconserving phase transition occurring on the surface of the domain. We are interested to some asymptotic analysis and first discuss the asymptotic limit of the system as the viscosity coefficient of the order parameter equation tends to 0: the convergence of solutions to the corresponding solutions for the limit problem is proven. Then, we study the long-time behavior of the system for both problems, with positive or zero viscosity coefficient, and characterize the omega-limit set in both cases.

  • M. Heida, S. Nesenenko, Stochastic homogenization of rate-dependent models of monotone type in plasticity, Preprint no. 2366, WIAS, Berlin, 2017, DOI 10.20347/WIAS.PREPRINT.2366 .
    Abstract, PDF (548 kByte)
    In this work we deal with the stochastic homogenization of the initial boundary value problems of monotone type. The models of monotone type under consideration describe the deformation behaviour of inelastic materials with a microstructure which can be characterised by random measures. Based on the Fitzpatrick function concept we reduce the study of the asymptotic behaviour of monotone operators associated with our models to the problem of the stochastic homogenization of convex functionals within an ergodic and stationary setting. The concept of Fitzpatrick's function helps us to introduce and show the existence of the weak solutions for rate-dependent systems. The derivations of the homogenization results presented in this work are based on the stochastic two-scale convergence in Sobolev spaces. For completeness, we also present some two-scale homogenization results for convex functionals, which are related to the classical Gamma-convergence theory.

Talks, Poster

  • A. Maltsi, Model-based geometry reconstruction of quantum dots from TEM, DPG-Frühjahrstagung der Sektion Kondensierte Materie (SKM), Fachverband Kristalline Festkörper und deren Mikrostruktur, March 12 - 16, 2018, Technische Universität Berlin, March 12, 2018.

  • A. Maltsi, Model-based geometry reconstruction of quantum dots from transmission electron microscopy (TEM), 89th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2018), Section S21 ``Mathematical Signal and Image Processing'', March 19 - 23, 2018, Technische Universität München, March 22, 2018.

  • S. Reichelt, Pulses in FitzHugh--Nagumo systems with rapidly oscillating coefficients, 89th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2018), Section S14 ``Applied Analysis'', March 19 - 23, 2018, Technische Universität München, March 23, 2018.

  • S. Reichelt, tba, SIAM Annual Meeting, Minisymposium on Multiscale Analysis and Simulation on Heterogeneous Media, July 9 - 13, 2018, Society for Industrial and Applied Mathematics, Oregon Convention Center (OCC), Portland, USA.

  • M. Heida, On G-convergence and stochastic two-scale convergences of the squareroot approximation scheme to the Fokker--Planck operator, 89th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2018), Section S14 ``Applied Analysis'', March 19 - 23, 2018, Technische Universität München, March 21, 2018.

  • M. Heida, On convergence of the squareroot approximation scheme to the Fokker-Planck operator, Technische Universität Berlin, Institut für Mathematik, May 14, 2018.

  • M. Heida, On convergence of the squareroot approximation scheme to the Fokker-Planck operator, Oberseminar ``Optimierung'', Humboldt-Universität zu Berlin, Institut für Mathematik, May 29, 2018.

  • M. Heida, On convergences of the squareroot approximation scheme to the Fokker--Planck operator, Workshop ``Interplay of Analysis and Probability in Applied Mathematics'', February 11 - 17, 2018, Mathematisches Forschungsinstitut Oberwolfach, February 13, 2018.

  • M. Kantner, M. Mittnenzweig, Th. Koprucki, Semismooth Newton methods in PDE constrained optimization, SPIE Photonics West 2018: Physics and Simulation of Optoelectronic Devices XXVI, January 29 - February 1, 2018, The Moscone Center, San Francisco, USA, January 29, 2018.

  • D. Peschka, Droplet and satellite droplet shedding in dewetting polymer films, 89th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2018), Section S11 ``Interfacial Flows'', March 19 - 23, 2018, Technische Universität München, March 21, 2018.

  • D. Peschka, Topics for the SPP 2171: Variational modeling for fluid flows on substrates with dissipation, Dynamic Wetting of Flexible Adaptive and Switchable Surfaces, May 17 - 18, 2018, University of Münster, Center for Nonlinear Science, May 17, 2018.

  • J. Sprekels, Cahn--Hilliard systems with general fractional operators, Workshop ``Challenges in Optimal Control of Nonlinear PDE-Systems'', April 9 - 13, 2018, Mathematisches Forschungsinstitut Oberwolfach, April 9, 2018.

  • A. Glitzky, Electrothermal feedback in organic LEDs, Workshop ``Numerical Optimization of the PEM Fuel Cell Bipolar Plate'', March 20, 2018, Zentrum für Solarenergie- und Wasserstoff-Forschung (ZSW), Ulm, March 20, 2018.

  • M. Thomas, Analysis and simulation for a phase-field fracture model at finite strains based on modified invariants, 89th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2018), Section DFG Priority Programmes PP1748 ``Reliable Simulation Techniques in Solid Mechanics. Development of Non-standard Discretization Methods, Mechanical and Mathematical Analysis'', March 19 - 23, 2018, Technische Universität München, March 20, 2018.

  • M. Thomas, Analysis and simulation for a phase-field fracture model at finite strains based on modified invariants, Analysis Seminar, University of Brescia, Department of Mathematics, Italy, May 10, 2018.

  • M. Thomas, Dynamics of rock dehydration on multiple scales, Begutachtung SFB 1114: Scaling Cascades in Complex Systems, Freie Universität Berlin, February 27 - 28, 2018.

  • M. Thomas, Optimization of the radiative emission for mechanically strained optoelectronic semiconductor devices, 9th International Conference ``Inverse Problems: Modeling and Simulation'' (IPMS 2018), Minisymposium M16 ``Inverse and Control Problems in Mechanics'', May 21 - 25, 2018, The Eurasian Association on Inverse Problems, Malta, Malta, May 24, 2018.

  • TH. Frenzel, Slip-stick motion via a wiggly energy model and relaxed EDP-convergence, Variational Methods for the Modelling of Inelastic Solids, February 5 - 9, 2018, Mathematisches Forschungsinstitut Oberwolfach.

  • TH. Koprucki, Model pathway diagrams for the representation of mathematical models, The Leibniz ``Mathematical Modeling and Simulation'' Days 2018, February 28 - March 2, 2018, Leibniz Institute for Surface Engineering (IOM) & Leibniz-Institut für Troposphärenforschung (TROPOS), Leipzig, February 28, 2018, DOI https://doi.org/10.5446/35360 .

  • TH. Koprucki, Multi-dimensional modeling und simulation of nanophotonic devices, Block-Seminar des SFB 787 ``Nanophotonik'', May 7 - 9, 2018, Technische Universität Berlin, Graal-Müritz, May 9, 2018.

  • TH. Koprucki, Numerical methods for drift-diffusion equations, sc Matheon 11th Annual Meeting ``Photonic Devices'', February 8 - 9, 2018, Konrad-Zuse-Zentrum für Informationstechnik Berlin, February 8, 2018.

  • M. Liero, tba, IFIP TC 7 Conference on System Modelling and Optimization, Minisymposium ``Optimal Transport and Applications'', July 23 - 27, 2018, Universität Duisburg-Essen, Fakultät für Mathematik, Essen.

  • O. Marquardt, Computational design of core-shell nanowire crystal-phase quantum rings for the observation of Aharonov--Bohm oscillations, The Leibniz ``Mathematical Modeling and Simulation'' Days 2018, February 28 - March 2, 2018, Leibniz Institute for Surface Engineering (IOM) & Leibniz-Institut für Troposphärenforschung (TROPOS), Leipzig, March 1, 2018.

  • O. Marquardt, Electronic properties of semiconductor nanostructures - eight band k.p and beyond, Nanostructures Seminar, Beijing Institute of Nanoenergy and Nanosystems (BINN), Chinese Academy of Science, China, April 12, 2018.

  • O. Marquardt, Observation of Aharonov--Bohm oscillations in core-shell nanowire crystal-phase quantum rings, DPG-Frühjahrstagung der Sektion Kondensierte Materie (SKM), Fachverband Halbleiterphysik, March 12 - 16, 2018, Technische Universität Berlin, March 13, 2018.

  • A. Mielke, Construction of effective gradient systems via EDP convergence, Workshop on Mathematical Aspects of Non-Equilibrium Thermodynamics, March 5 - 7, 2018, Rheinisch-Westfälische Technische Hochschule, Aachen, March 6, 2018.

  • A. Mielke, EDP-convergence: Gamma-convergence for gradient systems in the sense of the energy-dissipation principle, 89th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2018), Section S14 ``Applied Analysis'', March 19 - 23, 2018, Technische Universität München, March 20, 2018.

  • A. Mielke, Entropy and gradient structures for quantum Markov semigroups and couplings to macroscopic thermodynamical systems, Nonlinear Mechanics Seminar, University of Bath, Mathematical Sciences, UK, May 22, 2018.

  • A. Mielke, Entropy-induced geometry for classical and quantum Markov semigroups, Mathematisches Kolloquium, Technische Universität Darmstadt, Fachbereich Mathematik, June 6, 2018.

  • A. Mielke, Finding limiting dissipative potentials via EDP convergence, Applied Mathematics Seminar, Università di Pavia, Dipartimento di Matematica, Italy, April 23, 2018.

  • A. Mielke, Global existence for finite-strain viscoplasticity, Variational Methods for the Modelling of Inelastic Solids, February 5 - 9, 2018, Mathematisches Forschungsinstitut Oberwolfach, February 6, 2018.

  • S. Reichelt, Corrector estimates for elliptic and parabolic equations with periodic coefficients, Analysis Seminar, Friedrich-Alexander-Universität Erlangen-Nürnberg, Institut für Angewandte Mathematik, Erlangen, May 18, 2017.

  • S. Reichelt, Corrector estimates for elliptic and parabolic equations with periodic coefficients, Analysis Seminar, Universität Augsburg, Institut für Mathematik, May 23, 2017.

  • S. Reichelt, Corrector estimates for imperfect transmission problems, 88th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2017), Section S14 ``Applied Analysis'', March 6 - 10, 2017, Bauhaus Universität Weimar/Technische Universität Ilmenau, Weimar, March 7, 2017.

  • S. Reichelt, Pulses in FitzHugh--Nagumo systems with periodic coefficients, Seminar ``Dynamical Systems and Applications'', Technische Universität Berlin, Institut für Mathematik, May 3, 2017.

  • S. Reichelt, Traveling waves in FitzHugh--Nagumo systems with rapidly oscillating coefficients, Workshop ``Control of Self-organizing Nonlinear Systems'', August 29 - 31, 2017, Collaborative Research Center 910: Control of self-organizing nonlinear systems: Theoretical methods and concepts of application, Lutherstadt Wittenberg, August 30, 2017.

  • M. Heida, A. Mielke, Effective models for interfaces with many scales, CRC 1114 Conference ''Scaling Cascades in Complex Systems 2017'', Berlin, March 27 - 29, 2017.

  • M. Heida, Averaging of time-periodic dissipation potentials in rate-independent processes, 88th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2017), Section S14 ``Applied Analysis'', March 6 - 10, 2017, Bauhaus Universität Weimar/Technische Universität Ilmenau, Weimar, March 9, 2017.

  • M. Heida, On G-convergence and stochastic two-scale convergences of the squareroot approximation scheme to the Fokker--Planck operator, GAMM-Workshop on Analysis of Partial Differential Equations, September 27 - 29, 2017, Eindhoven University of Technology, Mathematics and Computer Science Department, Netherlands, September 28, 2017.

  • M. Heida, What is ... GENERIC?, CRC1114 Colloquium, Freie Universität Berlin, SFB 1114, June 29, 2017.

  • M. Liero, Modeling and simulation of electrothermal feedback in large-area organic LEDs, Numerical Simulation of Optoelectronic Devices (NUSOD 2017), session ``Light-Emitting Diodes'', July 24 - 28, 2017, Technical University of Denmark, Lyngby Campus, Kopenhagen, Denmark, July 25, 2017.

  • M. Liero, On entropy-transport problems and the Hellinger--Kantorovich distance, Seminar of Team EDP-AIRSEA-CVGI, Université Grenoble Alpes, Laboratoire Jean Kuntzmann, Grenoble, France, January 26, 2017.

  • M. Mittnenzweig, An entropic gradient structure Lindblad equations, 88th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2017), Section S14 ``Applied Analysis'', March 6 - 10, 2017, Bauhaus Universität Weimar/Technische Universität Ilmenau, Weimar, March 9, 2017.

  • M. Mittnenzweig, An entropic gradient structure for quantum Markov semigroups, Workshop ``Applications of Optimal Transportation in the Natural Sciences'', January 30 - February 3, 2017, Mathematisches Forschungsinstitut Oberwolfach, January 31, 2017.

  • CH. Mukherjee, Asymptotic behavior of the mean-field polaron, Probability and Mathematical Physics Seminar, Courant Institute of Mathematical Sciences, Department of Mathematics, New York, USA, March 20, 2017.

  • D. Peschka, Doping optimization for optoelectronic devices, Numerical Simulation of Optoelectronic Devices (NUSOD 2017), Post-Deadline session, July 27 - 28, 2017, Technical University, Lyngby Campus, Kopenhagen, Denmark, July 28, 2017.

  • D. Peschka, Mathematical and numerical approaches to moving contact lines, Scuola Internazionale Superiore di Studi Avanzati (SISSA), Trieste, Italy, December 6, 2017.

  • D. Peschka, Modelling and simulation of suspension flow, Graduate Seminar PDE in the Sciences, Universität Bonn, Institut für Angewandte Mathematik, January 20, 2017.

  • D. Peschka, Motion of thin droplets over surfaces, Making a Splash -- Driplets, Jets and Other Singularities, March 20 - 24, 2017, Brown University, Institute for Computational and Experimental Research in Mathematics (ICERM), Providence, USA, March 22, 2017.

  • D. Peschka, Variational structure of fluid motion with contact lines in thin-film models, Kolloquium Angewandte Mathematik, Universität der Bundeswehr, München, May 31, 2017.

  • D. Peschka, Variational structure of viscous flows with contact line motion, Seminar Numerical Mathematics, WIAS RG 3, July 18, 2017.

  • A. Fischer, M. Liero, A. Glitzky, Th. Koprucki, K. Vandewal, S. Lenk, S. Reinicke, Predicting electrothermal behavior from lab-size OLEDs to large area lighting panels, MRS Spring Meeting & Exhibit, Materials Research Society, Phoenix, Arizona, USA, April 17 - 21, 2017.

  • J. Sprekels, A nonstandard viscous Cahn--Hilliard system with dynamic boundary condition and the DCH, Analysis of Boundary Value Problems for PDEs -- Workshop on the Occasion of the 70th Birthday of Gianni Gilardi, Pavia, Italy, February 20, 2017.

  • J. Sprekels, Optimal control of PDEs: From basic principles to hard applications, International School ``Frontiers in Partial Differential Equations and Solvers'', May 22 - 25, 2017, University of Pavia, Department of Mathematics, Italy.

  • J. Sprekels, Well-posedness and optimal control of a nonstandard Cahn--Hilliard system with dynamic boundary condition, Fudan University, School of Mathematical Sciences, China, April 10, 2017.

  • A. Glitzky, Electrothermal description of organic semiconductor devices by $p(x)$-Laplace thermistor models, 88th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2017), Section S14 ``Applied Analysis'', March 6 - 10, 2017, Bauhaus Universität Weimar/Technische Universität Ilmenau, Weimar, March 9, 2017.

  • M. Thomas, Delamination processes in solids: GENERIC structure & analytical results, CIM-WIAS Workshop ``Topics in Applied Analysis and Optimisation'', December 6 - 8, 2017, Centro de Matemática, Lisboa, Portugal, December 8, 2017.

  • M. Thomas, Dynamics of rock dehydration on multiple scales, SCCS Days, November 8 - 10, 2017, SFB 1114 ``Scaling Cascades in Complex Systems'', Schmöckwitz, November 9, 2017.

  • M. Thomas, Mathematical modeling and analysis of evolution processes in solids and the influence of bulk-interface-interaction, Humboldt-Universität zu Berlin, Institut für Mathematik, October 20, 2017.

  • M. Thomas, Rate-independent delamination processes in visco-elasticity, Miniworkshop on Dislocations, Plasticity, and Fracture, February 13 - 16, 2017, Scuola Internazionale Superiore di Studi Avanzati (SISSA), Trieste, Italy, February 15, 2017.

  • M. Thomas, Why scientist in Academia?, I, SCIENTIST: The Conference on Gender, Career Paths and Networking, May 12 - 14, 2017, Freie Universität Berlin, May 14, 2017.

  • P.-É. Druet, Analysis of recent Nernst--Planck--Poisson--Navier--Stokes systems of electrolytes, 88th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2017), Section S14 ``Applied Analysis'', March 6 - 10, 2017, Bauhaus Universität Weimar/Technische Universität Ilmenau, Weimar, March 7, 2017.

  • P.-É. Druet, Existence of weak solutions for improved Nernst--Planck--Poisson models of compressible electrolytes, Seminar EDE, Czech Academy of Sciences, Institute of Mathematics, Department of Evolution Differential Equations (EDE), Prague, Czech Republic, January 10, 2017.

  • J. Fuhrmann, A. Glitzky, M. Liero, Hybrid finite-volume/finite-element schemes for p(x)-Laplace thermistor models, 8th International Symposium on Finite Volumes for Complex Applications (FVCA 8), Université Lille 1, Villeneuve d'Ascq, France, June 15, 2017.

  • TH. Koprucki, Comparison of consistent flux discretizations for drift diffusion beyond Boltzmann statistics, Numerical Simulation of Optoelectronic Devices (NUSOD 2017), session ``Numerical Methods'', July 24 - 28, 2017, Technical University of Denmark, Lyngby Campus, Kopenhagen, Denmark, July 27, 2017.

  • TH. Koprucki, Halbleiter-Bauteilsimulation: Modelle und numerische Verfahren, Block-Seminar des SFB 787 ``Nanophotonik'', June 7 - 9, 2017, Technische Universität Berlin, Graal-Müritz, June 8, 2017.

  • TH. Koprucki, How to tidy up the jungle of mathematical models? A prerequisite for sustainable research software, 2nd Conference on Non-Textual Information ``Software and Services for Science (S3)'', May 10 - 11, 2017, Technische Informationsbibliothek, Hannover, May 11, 2017, DOI 10.5446/31023 .

  • TH. Koprucki, Mathematical knowledge management as a route to sustainability in mathematical modeling and simulation, 2nd Leibniz MMS Days 2017, February 22 - 24, 2017, Technische Informationsbibliothek (TIB), Hannover, February 22, 2017, DOI 10.5446/21908 .

  • TH. Koprucki, Mathematical models as research data in numerical simulation of opto-electronic devices, Numerical Simulation of Optoelectronic Devices (NUSOD 2017), session ``Model Representation'', July 24 - 28, 2017, Technical University of Denmark, Lyngby Campus, Kopenhagen, Denmark, July 27, 2017.

  • TH. Koprucki, Mathematical models as research data via flexiformal theory graphs, 10th Conference on Intelligent Computer Mathematics (CICM 2017), track ``Mathematical Knowledge Management'', July 16 - 21, 2017, University of Edinburgh, UK, July 20, 2017.

  • TH. Koprucki, Model Pathway Diagrams for knowledge representation in mathematical modeling and simulation, 19th ÖMG Congress and Annual DMV Meeting, Minisymposium M3 ``From Information to Knowledge Management'', September 11 - 15, 2017, Paris-Lodron University of Salzburg, Austria, September 12, 2017.

  • TH. Koprucki, On current injection into single quantum dots through oxide-confined pn-diodes, 10th Annual Meeting ``Photonic Devices'', February 9 - 10, 2017, Zuse Institute Berlin (ZIB), Berlin, February 9, 2017.

  • TH. Koprucki, On the Scharfetter--Gummel scheme for the discretization of drift-diffusion equations and its generalization beyond Boltzmann, Kolloquium Modellierung, Numerik, Differentialgleichungen, Technische Universität Berlin, Institut für Mathematik, May 30, 2017.

  • TH. Koprucki, Über das L-Konzept einer physikalischen Theorie, Seminar Wissensrepräsentation und mbox-verarbeitung, Friedrich-Alexander-Universität Erlangen-Nürnberg, Lehrstuhl für Informatik, Erlangen, May 17, 2017.

  • M. Liero, A. Glitzky, Th. Koprucki, J. Fuhrmann, 3D electrothermal simulations of organic LEDs showing negative differential resistance, Multiscale Modelling of Organic Semiconductors: From Elementary Processes to Devices, Grenoble, France, September 12 - 15, 2017.

  • M. Liero, The Hellinger--Kantorovich distance as natural generalization of optimal transport distance to (scalar) reaction-diffusion equations, Workshop ``Variational Methods for Evolution'', November 12 - 17, 2017, Mathematisches Forschungsinstitut Oberwolfach, November 14, 2017.

  • M. Liero, The Hellinger--Kantorovich distance as natural generalization of optimal transport distance to (scalar) reaction-diffusion equations, Oberseminar ``Angewandte Analysis'', Universität Dortmund, Institut für Mathematik, November 29, 2017.

  • A. Mielke, A geometric approach to reaction-diffusion equations, Institutskolloquium, Universität Potsdam, Institut für Mathematik, January 25, 2017.

  • A. Mielke, Entropy-induced geometry for classical and quantum Markov semigroups, SMS Colloquium, University College Cork, School of Mathematical Science, Ireland, September 11, 2017.

  • A. Mielke, Global existence results for viscoplasticity, 88th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2017), Section S14 ``Applied Analysis'', March 6 - 10, 2017, Bauhaus Universität Weimar/Technische Universität Ilmenau, Weimar, March 10, 2017.

  • A. Mielke, Interfaces with many scales, Second CRC 1114 Days ''Scaling Cascades in Complex Systems'', November 8 - 10, 2017, Freie Universität Berlin, Schmöckwitz, November 10, 2017.

  • A. Mielke, Mathematical modeling of semiconductors: From quantum mechanics to devices, CIM-WIAS Workshop ``Topics in Applied Analysis and Optimisation'', December 6 - 8, 2017, Centro de Matemática, Lisboa, Portugal, December 8, 2017.

  • A. Mielke, On self-induced oscillations for friction reduction with applications to walking, Conference ``Dynamical Systems and Geometric Mechanics'', June 12 - 14, 2017, Technische Universität München, Zentrum für Mathematik, June 13, 2017.

  • A. Mielke, Optimal transport versus growth and decay, International Conference ``Calculus of Variations and Optimal Transportation'' in the Honor of Yann Brenier for his 60th Birthday, January 9 - 11, 2017, Institut Henri Poincaré, Paris, France, January 11, 2017.

  • A. Mielke, Oscillations in systems with hysteresis, SFB 910 Symposium ``Stability Versus Oscillations in Complex Systems'', Technische Universität Berlin, Institut für Theoretische Physik, February 10, 2017.

  • A. Mielke, Perspectives for gradient flows, GAMM-Workshop on Analysis of Partial Differential Equations, September 27 - 29, 2017, Eindhoven University of Technology, Mathematics and Computer Science Department, Netherlands, September 28, 2017.

  • A. Mielke, Uniform exponential decay for energy-reaction-diffusion systems, Analysis Seminar, University of Pavia, Department of Mathematics, Italy, March 21, 2017.

  • M. Mittnenzweig, A variational approach to quantum master equations coupled to a semiconductor PDE, Workshop ``Variational Methods for Evolution'', November 12 - 17, 2017, Mathematisches Forschungsinstitut Oberwolfach, November 14, 2017.

  • M. Mittnenzweig, A variational approach to the Lindblad equations, Scientific Computing Seminar, École des Ponts ParisTech, CERMICS, Paris, France, April 24, 2017.

  • M. Mittnenzweig, Gradient flow structures for quantum master equations, Analysis-Seminar Augsburg-München, Universität Augsburg, Institut für Mathematik, June 8, 2017.

  • M. Mittnenzweig, Variational methods for quantum master equations, BMS -- BGSMath Junior Meeting, October 9 - 10, 2017, Berlin Mathematical School and Barcelona Graduate School of Mathematics, Barcelona, Spain, October 10, 2017.

  • J. Rehberg, Explicit and uniform resolvent estimates for second order divergence operators on $L^p$ spaces, Oberseminar Analysis, Technische Universität Darmstadt, Fachbereich Mathematik, November 9, 2017.

  • J. Rehberg, On optimal elliptic Sobolev regularity, Oberseminar Prof. Ira Neitzel, Rheinische Friedrich-Wilhelms-Universität Bonn, Institut für Numerische Simulation, February 2, 2017.