## Fachbereich Mathematik

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- Robust storage loading problems with stacking and payload constraints (2015)
- We consider storage loading problems where items with uncertain weights have to be loaded into a storage area, taking into account stacking and payload constraints. Following the robust optimization paradigm, we propose strict and adjustable optimization models for finite and interval-based uncertainties. To solve these problems, exact decomposition and heuristic solution algorithms are developed. For strict robustness, we also present a compact formulation based on a characterization of worst-case scenarios. Computational results show that computation times and algorithm gaps are reasonable for practical applications. Furthermore, we find that the robustness concepts show different potential depending on the type of data being used.

- Aspects and Applications of the Wilkie Investment Model (2015)
- The Wilkie model is a stochastic asset model, developed by A.D. Wilkie in 1984 with a purpose to explore the behaviour of investment factors of insurers within the United Kingdom. Even so, there is still no analysis that studies the Wilkie model in a portfolio optimization framework thus far. Originally, the Wilkie model is considering a discrete-time horizon and we apply the concept of Wilkie model to develop a suitable ARIMA model for Malaysian data by using Box-Jenkins methodology. We obtained the estimated parameters for each sub model within the Wilkie model that suits the case of Malaysia, and permits us to analyse the result based on statistics and economics view. We then tend to review the continuous time case which was initially introduced by Terence Chan in 1998. The continuous-time Wilkie model inspired is then being employed to develop the wealth equation of a portfolio that consists of a bond and a stock. We are interested in building portfolios based on three well-known trading strategies, a self-financing strategy, a constant growth optimal strategy as well as a buy-and-hold strategy. In dealing with the portfolio optimization problems, we use the stochastic control technique consisting of the maximization problem itself, the Hamilton-Jacobi-equation, the solution to the Hamilton-Jacobi-equation and finally the verification theorem. In finding the optimal portfolio, we obtained the specific solution of the Hamilton-Jacobi-equation and proved the solution via the verification theorem. For a simple buy-and-hold strategy, we use the mean-variance analysis to solve the portfolio optimization problem.

- Discrete Parallel Machine Makespan ScheLoc Problem (2015)
- Scheduling-Location (ScheLoc) Problems integrate the separate fields of scheduling and location problems. In ScheLoc Problems the objective is to find locations for the machines and a schedule for each machine subject to some production and location constraints such that some scheduling object- ive is minimized. In this paper we consider the Discrete Parallel Machine Makespan (DPMM) ScheLoc Problem where the set of possible machine loc- ations is discrete and a set of n jobs has to be taken to the machines and processed such that the makespan is minimized. Since the separate location and scheduling problem are both NP-hard, so is the corresponding ScheLoc Problem. Therefore, we propose an integer programming formulation and different versions of clustering heuristics, where jobs are split into clusters and each cluster is assigned to one of the possible machine locations. Since the IP formulation can only be solved for small scale instances we propose several lower bounds to measure the quality of the clustering heuristics. Ex- tensive computational tests show the efficiency of the heuristics.

- A new solution approach for solving the 2-facility location problem in the plane with block norms (2015)
- Motivated by the time-dependent location problem over T time-periods introduced in Maier and Hamacher (2015) we consider the special case of two time-steps, which was shown to be equivalent to the static 2-facility location problem in the plane. Geometric optimality conditions are stated for the median objective. When using block norms, these conditions are used to derive a polygon grid inducing a subdivision of the plane based on normal cones, yielding a new approach to solve the 2-facility location problem in polynomial time. Combinatorial algorithms for the 2-facility location problem based on geometric properties are deduced and their complexities are analyzed. These methods differ from others as they are completely working on geometric objects to derive the optimal solution set.

- Competitive Algorithms for Multistage Online Scheduling (2015)
- We study an online flow shop scheduling problem where each job consists of several tasks that have to be completed in t different stages and the goal is to maximize the total weight of accepted jobs. The set of tasks of a job contains one task for each stage and each stage has a dedicated set of identical parallel machines corresponding to it that can only process tasks of this stage. In order to gain the weight (profit) associated with a job j, each of its tasks has to be executed between a task-specific release date and deadline subject to the constraint that all tasks of job j from stages 1, …, i-1 have to be completed before the task of the ith stage can be started. In the online version, jobs arrive over time and all information about the tasks of a job becomes available at the release date of its first task. This model can be used to describe production processes in supply chains when customer orders arrive online. We show that even the basic version of the offline problem with a single machine in each stage, unit weights, unit processing times, and fixed execution times for all tasks (i.e., deadline minus release date equals processing time) is APX-hard. Moreover, we show that the approximation ratio of any polynomial-time approximation algorithm for this basic version of the problem must depend on the number t of stages. For the online version of the basic problem, we provide a (2t-1)-competitive deterministic online algorithm and a matching lower bound. Moreover, we provide several (sometimes tight) upper and lower bounds on the competitive ratio of online algorithms for several generalizations of the basic problem involving different weights, arbitrary release dates and deadlines, different processing times of tasks, and several identical machines per stage.

- On the History of Differential-Algebraic Equations (2015)
- To write about the history of a subject is a challenge that grows with the number of pages as the original goal of completeness is turning more and more into an impossibility. With this in mind, the present article takes a very narrow approach and uses personal side trips and memories on conferences, workshops, and summer schools as the stage for some of the most important protagonists and their contributions to the field of Differential-Algebraic Equations (DAEs).

- A nonlocal sample dependence SDE-PDE system modeling proton dynamics in a tumor (2015)
- A nonlocal stochastic model for intra- and extracellular proton dynamics in a tumor is proposed. The intracellular dynamics is governed by an SDE coupled to a reaction-diffusion equation for the extracellular proton concentration on the macroscale. In a more general context the existence and uniqueness of solutions for local and nonlocal SDE-PDE systems are established allowing, in particular, to analyze the proton dynamics model both, in its local version and the case with nonlocal path dependence. Numerical simulations are performed to illustrate the behavior of solutions, providing some insights into the effects of randomness on tumor acidity.

- Coercive functions from a topological viewpoint and properties of minimizing sets of convex functions appearing in image restoration (2015)
- Many tasks in image processing can be tackled by modeling an appropriate data fidelity term \(\Phi: \mathbb{R}^n \rightarrow \mathbb{R} \cup \{+\infty\}\) and then solve one of the regularized minimization problems \begin{align*} &{}(P_{1,\tau}) \qquad \mathop{\rm argmin}_{x \in \mathbb R^n} \big\{ \Phi(x) \;{\rm s.t.}\; \Psi(x) \leq \tau \big\} \\ &{}(P_{2,\lambda}) \qquad \mathop{\rm argmin}_{x \in \mathbb R^n} \{ \Phi(x) + \lambda \Psi(x) \}, \; \lambda > 0 \end{align*} with some function \(\Psi: \mathbb{R}^n \rightarrow \mathbb{R} \cup \{+\infty\}\) and a good choice of the parameter(s). Two tasks arise naturally here: \begin{align*} {}& \text{1. Study the solver sets \({\rm SOL}(P_{1,\tau})\) and \({\rm SOL}(P_{2,\lambda})\) of the minimization problems.} \\ {}& \text{2. Ensure that the minimization problems have solutions.} \end{align*} This thesis provides contributions to both tasks: Regarding the first task for a more special setting we prove that there are intervals \((0,c)\) and \((0,d)\) such that the setvalued curves \begin{align*} \tau \mapsto {}& {\rm SOL}(P_{1,\tau}), \; \tau \in (0,c) \\ {} \lambda \mapsto {}& {\rm SOL}(P_{2,\lambda}), \; \lambda \in (0,d) \end{align*} are the same, besides an order reversing parameter change \(g: (0,c) \rightarrow (0,d)\). Moreover we show that the solver sets are changing all the time while \(\tau\) runs from \(0\) to \(c\) and \(\lambda\) runs from \(d\) to \(0\). In the presence of lower semicontinuity the second task is done if we have additionally coercivity. We regard lower semicontinuity and coercivity from a topological point of view and develop a new technique for proving lower semicontinuity plus coercivity. Dropping any lower semicontinuity assumption we also prove a theorem on the coercivity of a sum of functions.

- Upscaling Approaches for Nonlinear Processes in Lithium-Ion Batteries (2015)
- 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.

- Simulation of Degradation Processes in Lithium-Ion Batteries (2015)
- Lithium-ion batteries are increasingly becoming an ubiquitous part of our everyday life - they are present in mobile phones, laptops, tools, cars, etc. However, there are still many concerns about their longevity and their safety. In this work we focus on the simulation of several degradation mechanisms on the microscopic scale, where one can resolve the active materials inside the electrodes of the lithium-ion batteries as porous structures. We mainly study two aspects - heat generation and mechanical stress. For the former we consider an electrochemical non-isothermal model on the spatially resolved porous scale to observe the temperature increase inside a battery cell, as well as to observe the individual heat sources to assess their contributions to the total heat generation. As a result from our experiments, we determined that the temperature has very small spatial variance for our test cases and thus allows for an ODE formulation of the heat equation. The second aspect that we consider is the generation of mechanical stress as a result of the insertion of lithium ions in the electrode materials. We study two approaches - using small strain models and finite strain models. For the small strain models, the initial geometry and the current geometry coincide. The model considers a diffusion equation for the lithium ions and equilibrium equation for the mechanical stress. First, we test a single perforated cylindrical particle using different boundary conditions for the displacement and with Neumann boundary conditions for the diffusion equation. We also test for cylindrical particles, but with boundary conditions for the diffusion equation in the electrodes coming from an isothermal electrochemical model for the whole battery cell. For the finite strain models we take in consideration the deformation of the initial geometry as a result of the intercalation and the mechanical stress. We compare two elastic models to study the sensitivity of the predicted elastic behavior on the specific model used. We also consider a softening of the active material dependent on the concentration of the lithium ions and using data for silicon electrodes. We recover the general behavior of the stress from known physical experiments. Some models, like the mechanical models we use, depend on the local values of the concentration to predict the mechanical stress. In that sense we perform a short comparative study between the Finite Element Method with tetrahedral elements and the Finite Volume Method with voxel volumes for an isothermal electrochemical model. The spatial discretizations of the PDEs are done using the Finite Element Method. For some models we have discontinuous quantities where we adapt the FEM accordingly. The time derivatives are discretized using the implicit Backward Euler method. The nonlinear systems are linearized using the Newton method. All of the discretized models are implemented in a C++ framework developed during the thesis.