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- ItemNumerical analysis for nematic electrolytes(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Baňas, L'ubomír; Lasarzik, Robert; Prohl, AndreasWe consider a system of nonlinear PDEs modeling nematic electrolytes, and construct a dissipative solution with the help of its implementable, structure-inheriting space-time discretization. Computational studies are performed to study the mutual effects of electric, elastic, and viscous effects onto the molecules in a nematic electrolyte.
- ItemFast reaction limits via $Gamma$-convergence of the flux rate functional(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Peletier, Mark A.; Renger, D. R. MichielWe study the convergence of a sequence of evolution equations for measures supported on the nodes of a graph. The evolution equations themselves can be interpreted as the forward Kolmogorov equations of Markov jump processes, or equivalently as the equations for the concentrations in a network of linear reactions. The jump rates or reaction rates are divided in two classes; `slow' rates are constant, and `fast' rates are scaled as 1/∈, and we prove the convergence in the fast-reaction limit ∈ → 0. We establish a Γ-convergence result for the rate functional in terms of both the concentration at each node and the flux over each edge (the level-2.5 rate function). The limiting system is again described by a functional, and characterizes both fast and slow fluxes in the system. This method of proof has three advantages. First, no condition of detailed balance is required. Secondly, the formulation in terms of concentration and flux leads to a short and simple proof of the Γ-convergence; the price to pay is a more involved compactness proof. Finally, the method of proof deals with approximate solutions, for which the functional is not zero but small, without any changes.
- ItemAnalysis of a quasi-variational contact problem arising in thermoelasticity(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Alphonse, Amal; Rautenberg, Carlos N.; Rodrigues, José FranciscoWe formulate and study two mathematical models of a thermoforming process involving a membrane and a mould as implicit obstacle problems. In particular, the membrane-mould coupling is determined by the thermal displacement of the mould that depends in turn on the membrane through the contact region. The two models considered are a stationary (or elliptic) model and an evolutionary (or quasistatic) one. For the first model, we prove the existence of weak solutions by solving an elliptic quasi-variational inequality coupled to elliptic equations. By exploring the fine properties of the variation of the contact set under non-degenerate data, we give sufficient conditions for the existence of regular solutions, and under certain contraction conditions, also a uniqueness result. We apply these results to a series of semi-discretised problems that arise as approximations of regular solutions for the evolutionary or quasistatic problem. Here, under certain conditions, we are able to prove existence for the evolutionary problem and for a special case, also the uniqueness of time-dependent solutions.
- ItemMultiband k $cdot$ p model and fitting scheme for ab initio-based electronic structure parameters for wurtzite GaAs(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Marquardt, Oliver; Caro, Miguel A.; Koprucki, Thomas; Mathé, Peter; Willatzen, MortenWe develop a 16-band k · p model for the description of wurtzite GaAs, together with a novel scheme to determine electronic structure parameters for multiband k · p models. Our approach uses low-discrepancy sequences to fit k · p band structures beyond the eight-band scheme to most recent ab initio data, obtained within the framework for hybrid-functional density functional theory with a screened-exchange hybrid functional. We report structural parameters, elastic constants, band structures along high-symmetry lines, and deformation potentials at the Γ point. Based on this, we compute the bulk electronic properties (Γ point energies, effective masses, Luttinger-like parameters, and optical matrix parameters) for a ten-band and a sixteen-band k · p model for wurtzite GaAs. Our fitting scheme can assign priorities to both selected bands and k points that are of particular interest for specific applications. Finally, ellipticity conditions can be taken into account within our fitting scheme in order to make the resulting parameter sets robust against spurious solutions.
- ItemExistence of solutions of a finite element flux-corrected-transport scheme(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) John, Volker; Knobloch, PetrThe existence of a solution is proved for a nonlinear finite element flux-corrected-transport (FEM-FCT) scheme with arbitrary time steps for evolutionary convection-diffusion-reaction equations and transport equations.
- ItemEssential enhancements in Abelian networks: Continuity and uniform strict monotonicity(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Taggi, LorenzoWe prove that in wide generality the critical curve of the activated random walk model is a continuous function of the deactivation rate, and we provide a bound on its slope which is uniform with respect to the choice of the graph. Moreover, we derive strict monotonicity properties for the probability of a wide class of `increasing' events, extending previous results of Rolla and Sidoravicius (2012). Our proof method is of independent interest and can be viewed as a reformulation of the `essential enhancements' technique -- which was introduced for percolation -- in the framework of Abelian networks.
- ItemDistribution of cracks in a chain of atoms at low temperature(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Jansen, Sabine; König, Wolfgang; Schmidt, Bernd; Theil, FlorianWe consider a one-dimensional classical many-body system with interaction potential of Lennard--Jones type in the thermodynamic limit at low temperature 1/β ∈ (0, ∞). The ground state is a periodic lattice. We show that when the density is strictly smaller than the density of the ground state lattice, the system with N particles fills space by alternating approximately crystalline domains (clusters) with empty domains (voids) due to cracked bonds. The number of domains is of the order of N exp(-β e surf /2) with e surf > 0 a surface energy.
- ItemDistributed optimization with quantization for computing Wasserstein barycenters(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Krawchenko, Roman; Uribe, César A.; Gasnikov, Alexander; Dvurechensky, PavelWe study the problem of the decentralized computation of entropy-regularized semi-discrete Wasserstein barycenters over a network. Building upon recent primal-dual approaches, we propose a sampling gradient quantization scheme that allows efficient communication and computation of approximate barycenters where the factor distributions are stored distributedly on arbitrary networks. The communication and algorithmic complexity of the proposed algorithm are shown, with explicit dependency on the size of the support, the number of distributions, and the desired accuracy. Numerical results validate our algorithmic analysis.
- ItemDynamic probabilistic constraints under continuous random distributions(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) González Grandón, Tatiana; Henrion, René; Pérez-Aros, PedroThe paper investigates analytical properties of dynamic probabilistic constraints (chance constraints). The underlying random distribution is supposed to be continuous. In the first part, a general multistage model with decision rules depending on past observations of the random process is analyzed. Basic properties like (weak sequential) (semi-) continuity of the probability function or existence of solutions are studied. It turns out that the results differ significantly according to whether decision rules are embedded into Lebesgue or Sobolev spaces. In the second part, the simplest meaningful two-stage model with decision rules from L 2 is investigated. More specific properties like Lipschitz continuity and differentiability of the probability function are considered. Explicitly verifiable conditions for these properties are provided along with explicit gradient formulae in the Gaussian case. The application of such formulae in the context of necessary optimality conditions is discussed and a concrete identification of solutions presented.
- ItemAn effective bulk-surface thermistor model for large-area organic light-emitting diodes(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Glitzky, Annegret; Liero, Matthias; Nika, GrigorThe existence of a weak solution for an effective system of partial differential equations describing the electrothermal behavior of large-area organic light-emitting diodes (OLEDs) is proved. The effective system consists of the heat equation in the three-dimensional bulk glass substrate and two semi-linear equations for the current flow through the electrodes coupled to algebraic equations for the continuity of the electrical fluxes through the organic layers. The electrical problem is formulated on the (curvilinear) surface of the glass substrate where the OLED is mounted. The source terms in the heat equation are due to Joule heating and are hence concentrated on the part of the boundary where the current-flow equation is posed. The existence of weak solutions to the effective system is proved via Schauder's fixed-point theorem. Moreover, since the heat sources are a priori only in $L^1$, the concept of entropy solutions is used.