@misc{Hamzah,
  type      = {Master Thesis},
  author    = {Hamzah, Abdulrazzak},
  title     = {L{\"o}sung von Randwertaufgaben der Bruchmechanik mit Hilfe einer approximationsbasierten Kopplung zwischen der Finite-Elemente-Methode und Methoden der komplexen Analysis},
  doi       = {10.25643/bauhaus-universitaet.4093},
  url       = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20200211-40936},
  school      = {Bauhaus-Universit{\"a}t Weimar},
  abstract  = {Das Hauptziel der vorliegenden Arbeit war es, eine stetige Kopplung zwischen der ananlytischen und numerischen L{\"o}sung von Randwertaufgaben mit Singularit{\"a}ten zu realisieren. Durch die inter-polationsbasierte gekoppelte Methode kann eine globale C0 Stetigkeit erzielt werden. F{\"u}r diesen Zweck wird ein spezielle finite Element (Kopplungselement) verwendet, das die Stetigkeit der L{\"o}sung sowohl mit dem analytischen Element als auch mit den normalen CST Elementen gew{\"a}hrleistet. Die interpolationsbasierte gekoppelte Methode ist zwar f{\"u}r beliebige Knotenanzahl auf dem Interface ΓAD anwendbar, aber es konnte durch die Untersuchung von der Interpolationsmatrix und numerische Simulationen festgestellt werden, dass sie schlecht konditioniert ist. Um das Problem mit den numerischen Instabilit{\"a}ten zu bew{\"a}ltigen, wurde eine approximationsbasierte Kopplungsmethode entwickelt und untersucht. Die Stabilit{\"a}t dieser Methode wurde anschließend anhand der Untersuchung von der Gramschen Matrix des verwendeten Basissystems auf zwei Intervallen [-π,π] und [-2π,2π] beurteilt. Die Gramsche Matrix auf dem Intervall [-2π,2π] hat einen g{\"u}nstigeren Konditionszahl in der Abh{\"a}ngigkeit von der Anzahl der Kopplungsknoten auf dem Interface aufgewiesen. Um die dazu geh{\"o}rigen numerischen Instabilit{\"a}ten ausschließen zu k{\"o}nnen wird das Basissystem mit Hilfe vom Gram-Schmidtschen Orthogonalisierungsverfahren auf beiden Intervallen orthogonalisiert. Das orthogonale Basissystem l{\"a}sst sich auf dem Intervall [-2π,2π] mit expliziten Formeln schreiben. Die Methode des konsistentes Sampling, die h{\"a}ufig in der Nachrichtentechnik verwendet wird, wurde zur Realisierung von der approximationsbasierten Kopplung herangezogen. Eine Beschr{\"a}nkung dieser Methode ist es, dass die Anzahl der Sampling-Basisfunktionen muss gleich der Anzahl der Wiederherstellungsbasisfunktionen sein. Das hat dazu gef{\"u}hrt, dass das eingef{\"u}hrt Basissys-tem (mit 2 n Basisfunktionen) nur mit n Basisfunktion verwendet werden kann. Zur L{\"o}sung diese Problems wurde ein alternatives Basissystems (Variante 2) vorgestellt. F{\"u}r die Verwendung dieses Basissystems ist aber eine Transformationsmatrix M n{\"o}tig und bei der Orthogonalisierung des Basissystems auf dem Intervall [-π,π] kann die Herleitung von dieser Matrix kompliziert und aufwendig sein. Die Formfunktionen wurden anschließend f{\"u}r die beiden Varianten hergeleitet und grafisch (f{\"u}r n = 5) dargestellt und wurde gezeigt, dass diese Funktionen die Anforderungen an den Formfunktionen erf{\"u}llen und k{\"o}nnen somit f{\"u}r die FE- Approximation verwendet werden. Anhand numerischer Simulationen, die mit der Variante 1 (mit Orthogonalisierung auf dem Intervall [-2π,2π]) durchgef{\"u}hrt wurden, wurden die grundlegenden Fragen (Beispielsweise: Stetigkeit der Verformungen auf dem Interface ΓAD, Spannungen auf dem analytischen Gebiet) {\"u}ber- pr{\"u}ft.},
  subject      = {Mathematik},
  language  = {de}
}
@phdthesis{Chan,
  author    = {Chan, Chiu Ling},
  title     = {Smooth representation of thin shells and volume structures for isogeometric analysis},
  doi       = {10.25643/bauhaus-universitaet.4208},
  url       = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20200812-42083},
  school      = {Bauhaus-Universit{\"a}t Weimar},
  pages     = {162},
  abstract  = {The purpose of this study is to develop self-contained methods for obtaining smooth meshes which are compatible with isogeometric analysis (IGA). The study contains three main parts. We start by developing a better understanding of shapes and splines through the study of an image-related problem. Then we proceed towards obtaining smooth volumetric meshes of the given voxel-based images. Finally, we treat the smoothness issue on the multi-patch domains with C1 coupling. Following are the highlights of each part. First, we present a B-spline convolution method for boundary representation of voxel-based images. We adopt the filtering technique to compute the B-spline coefficients and gradients of the images effectively. We then implement the B-spline convolution for developing a non-rigid images registration method. The proposed method is in some sense of "isoparametric", for which all the computation is done within the B-splines framework. Particularly, updating the images by using B-spline composition promote smooth transformation map between the images. We show the possible medical applications of our method by applying it for registration of brain images. Secondly, we develop a self-contained volumetric parametrization method based on the B-splines boundary representation. We aim to convert a given voxel-based data to a matching C1 representation with hierarchical cubic splines. The concept of the osculating circle is employed to enhance the geometric approximation, where it is done by a single template and linear transformations (scaling, translations, and rotations) without the need for solving an optimization problem. Moreover, we use the Laplacian smoothing and refinement techniques to avoid irregular meshes and to improve mesh quality. We show with several examples that the method is capable of handling complex 2D and 3D configurations. In particular, we parametrize the 3D Stanford bunny which contains irregular shapes and voids. Finally, we propose the B´ezier ordinates approach and splines approach for C1 coupling. In the first approach, the new basis functions are defined in terms of the B´ezier Bernstein polynomials. For the second approach, the new basis is defined as a linear combination of C0 basis functions. The methods are not limited to planar or bilinear mappings. They allow the modeling of solutions to fourth order partial differential equations (PDEs) on complex geometric domains, provided that the given patches are G1 continuous. Both methods have their advantages. In particular, the B´ezier approach offer more degree of freedoms, while the spline approach is more computationally efficient. In addition, we proposed partial degree elevation to overcome the C1-locking issue caused by the over constraining of the solution space. We demonstrate the potential of the resulting C1 basis functions for application in IGA which involve fourth order PDEs such as those appearing in Kirchhoff-Love shell models, Cahn-Hilliard phase field application, and biharmonic problems.},
  subject      = {Modellierung},
  language  = {en}
}
@phdthesis{Salavati,
  author    = {Salavati, Mohammad},
  title     = {Multi-Scale Modeling of Mechanical and Electrochemical Properties of 1D and 2D Nanomaterials, Application in Battery Energy Storage Systems},
  doi       = {10.25643/bauhaus-universitaet.4183},
  url       = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20200623-41830},
  school      = {Bauhaus-Universit{\"a}t Weimar},
  pages     = {166},
  abstract  = {Material properties play a critical role in durable products manufacturing. Estimation of the precise characteristics in different scales requires complex and expensive experimental measurements. Potentially, computational methods can provide a platform to determine the fundamental properties before the final experiment. Multi-scale computational modeling leads to the modeling of the various time, and length scales include nano, micro, meso, and macro scales. These scales can be modeled separately or in correlation with coarser scales. Depend on the interested scales modeling, the right selection of multi-scale methods leads to reliable results and affordable computational cost. The present dissertation deals with the problems in various length and time scales using computational methods include density functional theory (DFT), molecular mechanics (MM), molecular dynamics (MD), and finite element (FE) methods. Physical and chemical interactions in lower scales determine the coarser scale properties. Particles interaction modeling and exploring fundamental properties are significant challenges of computational science. Downscale modelings need more computational effort due to a large number of interacted atoms/particles. To deal with this problem and bring up a fine-scale (nano) as a coarse-scale (macro) problem, we extended an atomic-continuum framework. The discrete atomic models solve as a continuum problem using the computationally efficient FE method. MM or force field method based on a set of assumptions approximates a solution on the atomic scale. In this method, atoms and bonds model as a harmonic oscillator with a system of mass and springs. The negative gradient of the potential energy equal to the forces on each atom. In this way, each bond's total potential energy includes bonded, and non-bonded energies are simulated as equivalent structural strain energies. Finally, the chemical nature of the atomic bond is modeled as a piezoelectric beam element that solves by the FE method. Exploring novel materials with unique properties is a demand for various industrial applications. During the last decade, many two-dimensional (2D) materials have been synthesized and shown outstanding properties. Investigation of the probable defects during the formation/fabrication process and studying their strength under severe service life are the critical tasks to explore performance prospects. We studied various defects include nano crack, notch, and point vacancy (Stone-Wales defect) defects employing MD analysis. Classical MD has been used to simulate a considerable amount of molecules at micro-, and meso- scales. Pristine and defective nanosheet structures considered under the uniaxial tensile loading at various temperatures using open-source LAMMPS codes. The results were visualized with the open-source software of OVITO and VMD. Quantum based first principle calculations have been conducting at electronic scales and known as the most accurate Ab initio methods. However, they are computationally expensive to apply for large systems. We used density functional theory (DFT) to estimate the mechanical and electrochemical response of the 2D materials. Many-body Schr{\"o}dinger's equation describes the motion and interactions of the solid-state particles. Solid describes as a system of positive nuclei and negative electrons, all electromagnetically interacting with each other, where the wave function theory describes the quantum state of the set of particles. However, dealing with the 3N coordinates of the electrons, nuclei, and N coordinates of the electrons spin components makes the governing equation unsolvable for just a few interacted atoms. Some assumptions and theories like Born Oppenheimer and Hartree-Fock mean-field and Hohenberg-Kohn theories are needed to treat with this equation. First, Born Oppenheimer approximation reduces it to the only electronic coordinates. Then Kohn and Sham, based on Hartree-Fock and Hohenberg-Kohn theories, assumed an equivalent fictitious non-interacting electrons system as an electron density functional such that their ground state energies are equal to a set of interacting electrons. Exchange-correlation energy functionals are responsible for satisfying the equivalency between both systems. The exact form of the exchange-correlation functional is not known. However, there are widely used methods to derive functionals like local density approximation (LDA), Generalized gradient approximation (GGA), and hybrid functionals (e.g., B3LYP). In our study, DFT performed using VASP codes within the GGA/PBE approximation, and visualization/post-processing of the results realized via open-source software of VESTA. The extensive DFT calculations are conducted 2D nanomaterials prospects as anode/cathode electrode materials for batteries. Metal-ion batteries' performance strongly depends on the design of novel electrode material. Two-dimensional (2D) materials have developed a remarkable interest in using as an electrode in battery cells due to their excellent properties. Desirable battery energy storage systems (BESS) must satisfy the high energy density, safe operation, and efficient production costs. Batteries have been using in electronic devices and provide a solution to the environmental issues and store the discontinuous energies generated from renewable wind or solar power plants. Therefore, exploring optimal electrode materials can improve storage capacity and charging/discharging rates, leading to the design of advanced batteries. Our results in multiple scales highlight not only the proposed and employed methods' efficiencies but also promising prospect of recently synthesized nanomaterials and their applications as an anode material. In this way, first, a novel approach developed for the modeling of the 1D nanotube as a continuum piezoelectric beam element. The results converged and matched closely with those from experiments and other more complex models. Then mechanical properties of nanosheets estimated and the failure mechanisms results provide a useful guide for further use in prospect applications. Our results indicated a comprehensive and useful vision concerning the mechanical properties of nanosheets with/without defects. Finally, mechanical and electrochemical properties of the several 2D nanomaterials are explored for the first time—their application performance as an anode material illustrates high potentials in manufacturing super-stretchable and ultrahigh-capacity battery energy storage systems (BESS). Our results exhibited better performance in comparison to the available commercial anode materials.},
  subject      = {Batterie},
  language  = {en}
}