## Fachbereich Mathematik

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- Fachbereich Mathematik (223)
- Fraunhofer (ITWM) (2)

Lithium-ion batteries are broadly used nowadays in all kinds of portable electronics, such as laptops, cell phones, tablets, e-book readers, digital cameras, etc. They are preferred to other types of rechargeable batteries due to their superior characteristics, such as light weight and high energy density, no memory effect, and a big number of charge/discharge cycles. The high demand and applicability of Li-ion batteries naturally give rise to the unceasing necessity of developing better batteries in terms of performance and lifetime. The aim of the mathematical modelling of Li-ion batteries is to help engineers test different battery configurations and electrode materials faster and cheaper. Lithium-ion batteries are multiscale systems. A typical Li-ion battery consists of multiple connected electrochemical battery cells. Each cell has two electrodes - anode and cathode, as well as a separator between them that prevents a short circuit.
Both electrodes have porous structure composed of two phases - solid and electrolyte. We call macroscale the lengthscale of the whole electrode and microscale - the lengthscale at which we can distinguish the complex porous structure of the electrodes. We start from a Li-ion battery model derived on the microscale. The model is based on nonlinear diffusion type of equations for the transport of Lithium ions and charges in the electrolyte and in the active material. Electrochemical reactions on the solid-electrolyte interface couple the two phases. The interface kinetics is modelled by the highly nonlinear Butler-Volmer interface conditions. Direct numerical simulations with standard methods, such as the Finite Element Method or Finite Volume Method, lead to ill-conditioned problems with a huge number of degrees of freedom which are difficult to solve. Therefore, the aim of this work is to derive upscaled models on the lengthscale of the whole electrode so that we do not have to resolve all the small-scale features of the porous microstructure thus reducing the computational time and cost. We do this by applying two different upscaling techniques - the Asymptotic Homogenization Method and the Multiscale Finite Element Method (MsFEM). We consider the electrolyte and the solid as two self-complementary perforated domains and we exploit this idea with both upscaling methods. The first method is restricted only to periodic media and periodically oscillating solutions while the second method can be applied to randomly oscillating solutions and is based on the Finite Element Method framework. We apply the Asymptotic Homogenization Method to derive a coupled macro-micro upscaled model under the assumption of periodic electrode microstructure. A crucial step in the homogenization procedure is the upscaling of the Butler-Volmer interface conditions. We rigorously determine the asymptotic order of the interface exchange current densities and we perform a comprehensive numerical study in order to validate the derived homogenized Li-ion battery model. In order to upscale the microscale battery problem in the case of random electrode microstructure we apply the MsFEM, extended to problems in perforated domains with Neumann boundary conditions on the holes. We conduct a detailed numerical investigation of the proposed algorithm and we show numerical convergence of the method that we design. We also apply the developed technique to a simplified two-dimensional Li-ion battery problem and we show numerical convergence of the solution obtained with the MsFEM to the reference microscale one.

In this thesis we address two instances of duality in commutative algebra.
In the first part, we consider value semigroups of non irreducible singular algebraic curves
and their fractional ideals. These are submonoids of Z^n closed under minima, with a conductor and which fulfill special compatibility properties on their elements. Subsets of Z^n
fulfilling these three conditions are known in the literature as good semigroups and their ideals, and their class strictly contains the class of value semigroup ideals. We examine
good semigroups both independently and in relation with their algebraic counterpart. In the combinatoric setting, we define the concept of good system of generators, and we
show that minimal good systems of generators are unique. In relation with the algebra side, we give an intrinsic definition of canonical semigroup ideals, which yields a duality
on good semigroup ideals. We prove that this semigroup duality is compatible with the Cohen-Macaulay duality under taking values. Finally, using the duality on good semigroup ideals, we show a symmetry of the Poincaré series of good semigroups with special properties.
In the second part, we treat Macaulay’s inverse system, a one-to-one correspondence
which is a particular case of Matlis duality and an effective method to construct Artinian k-algebras with chosen socle type. Recently, Elias and Rossi gave the structure of the inverse system of positive dimensional Gorenstein k-algebras. We extend their result by establishing a one-to-one correspondence between positive dimensional level k-algebras and certain submodules of the divided power ring. We give several examples to illustrate
our result.

A main result of this thesis is a conceptual proof of the fact that the weighted number of tropical curves of given degree and genus, which pass through the right number of general points in the plane (resp., which pass through general points in R^r and represent a given point in the moduli space of genus g curves) is independent of the choices of points. Another main result is a new correspondence theorem between plane tropical cycles and plane elliptic algebraic curves.

This thesis is devoted to two main topics (accordingly, there are two chapters): In the first chapter, we establish a tropical intersection theory with analogue notions and tools as its algebro-geometric counterpart. This includes tropical cycles, rational functions, intersection products of Cartier divisors and cycles, morphisms, their functors and the projection formula, rational equivalence. The most important features of this theory are the following: - It unifies and simplifies many of the existing results of tropical enumerative geometry, which often contained involved ad-hoc computations. - It is indispensable to formulate and solve further tropical enumerative problems. - It shows deep relations to the intersection theory of toric varieties and connected fields. - The relationship between tropical and classical Gromov-Witten invariants found by Mikhalkin is made plausible from inside tropical geometry. - It is interesting on its own as a subfield of convex geometry. In the second chapter, we study tropical gravitational descendants (i.e. Gromov-Witten invariants with incidence and "Psi-class" factors) and show that many concepts of the classical Gromov-Witten theory such as the famous WDVV equations can be carried over to the tropical world. We use this to extend Mikhalkin's results to a certain class of gravitational descendants, i.e. we show that many of the classical gravitational descendants of P^2 and P^1 x P^1 can be computed by counting tropical curves satisfying certain incidence conditions and with prescribed valences of their vertices. Moreover, the presented theory is not restricted to plane curves and therefore provides an important tool to derive similar results in higher dimensions. A more detailed chapter synopsis can be found at the beginning of each individual chapter.

Tropical intersection theory
(2010)

This thesis consists of five chapters: Chapter 1 contains the basics of the theory and is essential for the rest of the thesis. Chapters 2-5 are to a large extent independent of each other and can be read separately. - Chapter 1: Foundations of tropical intersection theory In this first chapter we set up the foundations of a tropical intersection theory covering many concepts and tools of its counterpart in algebraic geometry such as affine tropical cycles, Cartier divisors, morphisms of tropical cycles, pull-backs of Cartier divisors, push-forwards of cycles and an intersection product of Cartier divisors and cycles. Afterwards, we generalize these concepts to abstract tropical cycles and introduce a concept of rational equivalence. Finally, we set up an intersection product of cycles and prove that every cycle is rationally equivalent to some affine cycle in the special case that our ambient cycle is R^n. We use this result to show that rational and numerical equivalence agree in this case and prove a tropical Bézout's theorem. - Chapter 2: Tropical cycles with real slopes and numerical equivalence In this chapter we generalize our definitions of tropical cycles to polyhedral complexes with non-rational slopes. We use this new definition to show that if our ambient cycle is a fan then every subcycle is numerically equivalent to some affine cycle. Finally, we restrict ourselves to cycles in R^n that are "generic" in some sense and study the concept of numerical equivalence in more detail. - Chapter 3: Tropical intersection products on smooth varieties We define an intersection product of tropical cycles on tropical linear spaces L^n_k and on other, related fans. Then, we use this result to obtain an intersection product of cycles on any "smooth" tropical variety. Finally, we use the intersection product to introduce a concept of pull-backs of cycles along morphisms of smooth tropical varieties and prove that this pull-back has all expected properties. - Chapter 4: Weil and Cartier divisors under tropical modifications First, we introduce "modifications" and "contractions" and study their basic properties. After that, we prove that under some further assumptions a one-to-one correspondence of Weil and Cartier divisors is preserved by modifications. In particular we can prove that on any smooth tropical variety we have a one-to-one correspondence of Weil and Cartier divisors. - Chapter 5: Chern classes of tropical vector bundles We give definitions of tropical vector bundles and rational sections of tropical vector bundles. We use these rational sections to define the Chern classes of such a tropical vector bundle. Moreover, we prove that these Chern classes have all expected properties. Finally, we classify all tropical vector bundles on an elliptic curve up to isomorphisms.

This thesis is devoted to furthering the tropical intersection theory as well as to applying the
developed theory to gain new insights about tropical moduli spaces.
We use piecewise polynomials to define tropical cocycles that generalise the notion of tropical Cartier divisors to higher codimensions, introduce an intersection product of cocycles with tropical cycles and use the connection to toric geometry to prove a Poincaré duality for certain cases. Our
main application of this Poincaré duality is the construction of intersection-theoretic fibres under a
large class of tropical morphisms.
We construct an intersection product of cycles on matroid varieties which are a natural
generalisation of tropicalisations of classical linear spaces and the local blocks of smooth tropical
varieties. The key ingredient is the ability to express a matroid variety contained in another matroid variety by a piecewise polynomial that is given in terms of the rank functions of the corresponding
matroids. In particular, this enables us to intersect cycles on the moduli spaces of n-marked abstract
rational curves. We also construct a pull-back of cycles along morphisms of smooth varieties, relate
pull-backs to tropical modifications and show that every cycle on a matroid variety is rationally
equivalent to its recession cycle and can be cut out by a cocycle.
Finally, we define families of smooth rational tropical curves over smooth varieties and construct a tropical fibre product in order to show that every morphism of a smooth variety to the moduli space of abstract rational tropical curves induces a family of curves over the domain of the morphism.
This leads to an alternative, inductive way of constructing moduli spaces of rational curves.

Das Ziel dieser Dissertation ist die Entwicklung und Implementation eines Algorithmus zur Berechnung von tropischen Varietäten über allgemeine bewertete Körper. Die Berechnung von tropischen Varietäten über Körper mit trivialer Bewertung ist ein hinreichend gelöstes Problem. Hierfür kombinieren die Autoren Bogart, Jensen, Speyer, Sturmfels und Thomas eindrucksvoll klassische Techniken der Computeralgebra mit konstruktiven Methoden der konvexer Geometrie.
Haben wir allerdings einen Grundkörper mit nicht-trivialer Bewertung, wie zum Beispiel den Körper der \(p\)-adischen Zahlen \(\mathbb{Q}_p\), dann stößt die konventionelle Gröbnerbasentheorie scheinbar an ihre Grenzen. Die zugrundeliegenden Monomordnungen sind nicht geeignet um Problemstellungen zu untersuchen, die von einer nicht-trivialen Bewertung auf den Koeffizienten abhängig sind. Dies führte zu einer Reihe von Arbeiten, welche die gängige Gröbnerbasentheorie modifizieren um die Bewertung des Grundkörpers einzubeziehen.\[\phantom{newline}\]
In dieser Arbeit präsentieren wir einen alternativen Ansatz und zeigen, wie sich die Bewertung mittels einer speziell eingeführten Variable emulieren lässt, so dass eine Modifikation der klassischen Werkzeuge nicht notwendig ist.
Im Rahmen dessen wird Theorie der Standardbasen auf Potenzreihen über einen Koeffizientenring verallgemeinert. Hierbei wird besonders Wert darauf gelegt, dass alle Algorithmen bei polynomialen Eingabedaten mit ihren klassischen Pendants übereinstimmen, sodass für praktische Zwecke auf bereits etablierte Softwaresysteme zurückgegriffen werden kann. Darüber hinaus wird die Konstruktion des Gröbnerfächers sowie die Technik des Gröbnerwalks für leicht inhomogene Ideale eingeführt. Dies ist notwendig, da bei der Einführung der neuen Variable die Homogenität des Ausgangsideal gebrochen wird.\[\phantom{newline}\]
Alle Algorithmen wurden in Singular implementiert und sind als Teil der offiziellen Distribution erhältlich. Es ist die erste Implementation, welches in der Lage ist tropische Varietäten mit \(p\)-adischer Bewertung auszurechnen. Im Rahmen der Arbeit entstand ebenfalls ein Singular Paket für konvexe Geometrie, sowie eine Schnittstelle zu Polymake.

The use of trading stops is a common practice in financial markets for a variety of reasons: it provides a simple way to control losses on a given trade, while also ensuring that profit-taking is not deferred indefinitely; and it allows opportunities to consider reallocating resources to other investments. In this thesis, it is explained why the use of stops may be desirable in certain cases.
This is done by proposing a simple objective to be optimized. Some simple and commonly-used rules for the placing and use of stops are investigated; consisting of fixed or moving barriers, with fixed transaction costs. It is shown how to identify optimal levels at which to set stops, and the performances of different rules and strategies are compared. Thereby, uncertainty and altering of the drift parameter of the investment are incorporated.

The purpose of Exploration in Oil Industry is to "discover" an oil-containing geological formation from exploration data. In the context of this PhD project this oil-containing geological formation plays the role of a geometrical object, which may have any shape. The exploration data may be viewed as a "cloud of points", that is a finite set of points, related to the geological formation surveyed in the exploration experiment. Extensions of topological methodologies, such as homology, to point clouds are helpful in studying them qualitatively and capable of resolving the underlying structure of a data set. Estimation of topological invariants of the data space is a good basis for asserting the global features of the simplicial model of the data. For instance the basic statistical idea, clustering, are correspond to dimension of the zero homology group of the data. A statistics of Betti numbers can provide us with another connectivity information. In this work represented a method for topological feature analysis of exploration data on the base of so called persistent homology. Loosely, this is the homology of a growing space that captures the lifetimes of topological attributes in a multiset of intervals called a barcode. Constructions from algebraic topology empowers to transform the data, to distillate it into some persistent features, and to understand then how it is organized on a large scale or at least to obtain a low-dimensional information which can point to areas of interest. The algorithm for computing of the persistent Betti numbers via barcode is realized in the computer algebra system "Singular" in the scope of the work.

Constructing accurate earth models from seismic data is a challenging task. Traditional methods rely on ray based approximations of the wave equation and reach their limit in geologically complex areas. Full waveform inversion (FWI) on the other side seeks to minimize the misﬁt between modeled and observed data without such approximation.
While superior in accuracy, FWI uses a gradient based iterative scheme that makes it also very computationally expensive. In this thesis we analyse and test an Alternating Direction Implicit (ADI) scheme in order to reduce the costs of the two dimensional time domain algorithm for solving the acoustic wave equation. The ADI scheme can be seen as an intermediate between explicit and implicit ﬁnite diﬀerence modeling schemes. Compared to full implicit schemes the ADI scheme only requires the solution of much smaller matrices and is thus less computationally demanding. Using ADI we can handle coarser discretization compared to an explicit method. Although order of convergence and CFL conditions for the examined explicit method and ADI scheme are comparable, we observe that the ADI scheme is less prone to dispersion. Furhter, our algorithm is eﬃciently parallelized with vectorization and threading techniques. In a numerical comparison, we can demonstrate a runtime advantage of the ADI scheme over an explicit method of the same accuracy.
With the modeling in place, we test and compare several inverse schemes in the second part of the thesis. With the goal of avoiding local minima and improving speed of convergence, we use diﬀerent minimization functions and hierarchical approaches. In several tests, we demonstrate superior results of the L1 norm compared to the L2 norm – especially in the presence of noise. Furthermore we show positive eﬀects for applying three diﬀerent multiscale approaches to the inverse problem. These methods focus on low frequency, early recording, or far oﬀset during early iterations of the minimization and then proceed iteratively towards the full problem. We achieve best results with the frequency based multiscale scheme, for which we also provide a heuristical method of choosing iteratively increasing frequency bands.
Finally, we demonstrate the eﬀectiveness of the diﬀerent methods ﬁrst on the Marmousi model and then on an extract of the 2004 BP model, where we are able to recover both high contrast top salt structures and lower contrast inclusions accurately.