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- ItemAssessment of Stability in Partitional Clustering Using Resampling Techniques(Karlsruhe : KIT Scientific Publishing, 2016) Mucha, Hans-JoachimThe assessment of stability in cluster analysis is strongly related to the main difficult problem of determining the number of clusters present in the data. The latter is subject of many investigations and papers considering different resampling techniques as practical tools. In this paper, we consider non-parametric resampling from the empirical distribution of a given dataset in order to investigate the stability of results of partitional clustering. In detail, we investigate here only the very popular K-means method. The estimation of the sampling distribution of the adjusted Rand index (ARI) and the averaged Jaccard index seems to be the most general way to do this. In addition, we compare bootstrapping with different subsampling schemes (i.e., with different cardinality of the drawn samples) with respect to their performance in finding the true number of clusters for both synthetic and real data.
- ItemA boundary control problem for the pure Cahn–Hilliard equation with dynamic boundary conditions(Berlin ; Boston, Mass. : de Gruyter, 2015) Colli, Pierluigi; Gilardi, Gianni; Sprekels, JürgenA boundary control problem for the pure Cahn–Hilliard equations with possibly singular potentialsand dynamic boundary conditions is studied and rst-order necessary conditions for optimality are proved.
- ItemDistributed optimal control of a nonstandard nonlocal phase field system(Springfield, MO : AIMS Press, 2016) Colli, Pierluigi; Gilardi, Gianni; Sprekels, JürgenWe investigate a distributed optimal control problem for a nonlocal phase field model of viscous Cahn-Hilliard type. The model constitutes a nonlocal version of a model for two-species phase segregation on an atomic lattice under the presence of diffusion that has been studied in a series of papers by P. Podio-Guidugli and the present authors. The model consists of a highly nonlinear parabolic equation coupled to an ordinary differential equation. The latter equation contains both nonlocal and singular terms that render the analysis difficult. Standard arguments of optimal control theory do not apply directly, although the control constraints and the cost functional are of standard type. We show that the problem admits a solution, and we derive the first-order necessary conditions of optimality.
- ItemWeak-strong uniqueness for the general Ericksen-Leslie system in three dimensions(Springfield, Mo. : American Institute of Mathematical Sciences, 2018) Emmrich, Etienne; Lasarzik, RobertWe study the Ericksen-Leslie system equipped with a quadratic free energy functional. The norm restriction of the director is incorporated by a standard relaxation technique using a double-well potential. We use the relative energy concept, often applied in the context of compressible Euler- or related systems of fluid dynamics, to prove weak-strong uniqueness of solutions. A main novelty, not only in the context of the Ericksen-Leslie model, is that the relative energy inequality is proved for a system with a nonconvex energy.
- ItemAnisotropic solid-liquid interface kinetics in silicon: An atomistically informed phase-field model(Bristol : IOP Publ., 2017) Bergmann, S.; Albe, K.; Flege, E.; Barragan-Yani, D.A.; Wagner, B.We present an atomistically informed parametrization of a phase-field model for describing the anisotropic mobility of liquid–solid interfaces in silicon. The model is derived from a consistent set of atomistic data and thus allows to directly link molecular dynamics and phase field simulations. Expressions for the free energy density, the interfacial energy and the temperature and orientation dependent interface mobility are systematically fitted to data from molecular dynamics simulations based on the Stillinger–Weber interatomic potential. The temperature-dependent interface velocity follows a Vogel–Fulcher type behavior and allows to properly account for the dynamics in the undercooled melt.
- ItemLarge Deviations of Continuous Regular Conditional Probabilities(New York, NY [u.a.] : Springer Science + Business Media B.V., 2016) van Zuijlen, W.We study product regular conditional probabilities under measures of two coordinates with respect to the second coordinate that are weakly continuous on the support of the marginal of the second coordinate. Assuming that there exists a sequence of probability measures on the product space that satisfies a large deviation principle, we present necessary and sufficient conditions for the conditional probabilities under these measures to satisfy a large deviation principle. The arguments of these conditional probabilities are assumed to converge. A way to view regular conditional probabilities as a special case of product regular conditional probabilities is presented. This is used to derive conditions for large deviations of regular conditional probabilities. In addition, we derive a Sanov-type theorem for large deviations of the empirical distribution of the first coordinate conditioned on fixing the empirical distribution of the second coordinate.
- ItemVibrations of a laboratory-scale gas-stirred ladle with two eccentric nozzles and multiple sensors([Singapore] : Springer Singapore, 2019) Alia, Najib; Pylvänäinen, Mika; Visuri, Ville-Valtteri; John, Volker; Ollila, SeppoDuring ladle stirring, a gas is injected into the steel bath to generate a mixing of the liquid steel. The optimal process control requires a reliable measurement of the stirring intensity, for which the induced ladle wall vibrations have proved to be a potential indicator. An experimental cold water ladle with two eccentric nozzles and eight mono-axial accelerometers was thus investigated to measure the vibrations. The effect of the sensors’ positions with respect to the gas plugs on the vibration intensity was analyzed, and experimental data on several points of the ladle were collected for future numerical simulations. It is shown that the vibration root-mean-square values depend not only on process parameters, such as gas flow rate, water, and oil heights, but also on the radial and axial positions of the sensors. The vibration intensity is clearly higher, close to the gas plumes, than in the opposite side. If one of the nozzles is clogged, the vibration intensity close to the clogged nozzle drops drastically (−36 to −59%), while the vibrations close to the normal operating nozzle are hardly affected. Based on these results, guidelines are provided for an optimized vibration-based stirring.
- ItemA rough path perspective on renormalization(Amsterdam [u.a.] : Elsevier, 2019) Bruned, Y.; Chevyrev, I.; Friz, P.K.; Preiß, R.We develop the algebraic theory of rough path translation. Particular attention is given to the case of branched rough paths, whose underlying algebraic structure (Connes-Kreimer, Grossman-Larson) makes it a useful model case of a regularity structure in the sense of Hairer. Pre-Lie structures are seen to play a fundamental rule which allow a direct understanding of the translated (i.e. renormalized) equation under consideration. This construction is also novel with regard to the algebraic renormalization theory for regularity structures due to Bruned–Hairer–Zambotti (2016), the links with which are discussed in detail. © 2019 The Author(s)
- ItemA continuum model for yttria-stabilized zirconia incorporating triple phase boundary, lattice structure and immobile oxide ions(Berlin ; Heidelberg ; New York : Springer, 2019) Vágner, Petr; Guhlke, Clemens; Miloš, Vojtěch; Müller, Rüdiger; Fuhrmann, JürgenA continuum model for yttria-stabilized zirconia (YSZ) in the framework of non-equilibrium thermodynamics is developed. Particular attention is given to (i) modeling of the YSZ-metal-gas triple phase boundary, (ii) incorporation of the lattice structure and immobile oxide ions within the free energy model and (iii) surface reactions. A finite volume discretization method based on modified Scharfetter-Gummel fluxes is derived in order to perform numerical simulations. The model is used to study the impact of yttria and immobile oxide ions on the structure of the charged boundary layer and the double layer capacitance. Cyclic voltammograms of an air-half cell are simulated to study the effect of parameter variations on surface reactions, adsorption and anion diffusion. © 2019, The Author(s).
- ItemBoundary conditions for electrochemical interfaces(Bristol : IOP Publishing, 2017) Landstorfer, ManuelConsistent boundary conditions for electrochemical interfaces, which cover double layer charging, pseudo-capacitive effects and transfer reactions, are of high demand in electrochemistry and adjacent disciplines. Mathematical modeling and optimization of electrochemical systems is a strongly emerging approach to reduce cost and increase efficiency of super-capacitors, batteries, fuel cells, and electro-catalysis. However, many mathematical models which are used to describe such systems lack a real predictive value. Origin of this shortcoming is the usage of oversimplified boundary conditions. In this work we derive the boundary conditions for some general electrode-electrolyte interface based on non-equilibrium thermodynamics for volumes and surfaces. The resulting equations are widely applicable and cover also tangential transport. The general framework is then applied to a specific material model which allows the deduction of a current-voltage relation and thus a comparison to experimental data. Some simplified 1D examples show the range of applicability of the new approach.