@phdthesis{Goswami, author = {Goswami, Somdatta}, title = {Phase field modeling of fracture with isogeometric analysis and machine learning methods}, doi = {10.25643/bauhaus-universitaet.4384}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20210304-43841}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {168}, abstract = {This thesis presents the advances and applications of phase field modeling in fracture analysis. In this approach, the sharp crack surface topology in a solid is approximated by a diffusive crack zone governed by a scalar auxiliary variable. The uniqueness of phase field modeling is that the crack paths are automatically determined as part of the solution and no interface tracking is required. The damage parameter varies continuously over the domain. But this flexibility comes with associated difficulties: (1) a very fine spatial discretization is required to represent sharp local gradients correctly; (2) fine discretization results in high computational cost; (3) computation of higher-order derivatives for improved convergence rates and (4) curse of dimensionality in conventional numerical integration techniques. As a consequence, the practical applicability of phase field models is severely limited. The research presented in this thesis addresses the difficulties of the conventional numerical integration techniques for phase field modeling in quasi-static brittle fracture analysis. The first method relies on polynomial splines over hierarchical T-meshes (PHT-splines) in the framework of isogeometric analysis (IGA). An adaptive h-refinement scheme is developed based on the variational energy formulation of phase field modeling. The fourth-order phase field model provides increased regularity in the exact solution of the phase field equation and improved convergence rates for numerical solutions on a coarser discretization, compared to the second-order model. However, second-order derivatives of the phase field are required in the fourth-order model. Hence, at least a minimum of C1 continuous basis functions are essential, which is achieved using hierarchical cubic B-splines in IGA. PHT-splines enable the refinement to remain local at singularities and high gradients, consequently reducing the computational cost greatly. Unfortunately, when modeling complex geometries, multiple parameter spaces (patches) are joined together to describe the physical domain and there is typically a loss of continuity at the patch boundaries. This decrease of smoothness is dictated by the geometry description, where C0 parameterizations are normally used to deal with kinks and corners in the domain. Hence, the application of the fourth-order model is severely restricted. To overcome the high computational cost for the second-order model, we develop a dual-mesh adaptive h-refinement approach. This approach uses a coarser discretization for the elastic field and a finer discretization for the phase field. Independent refinement strategies have been used for each field. The next contribution is based on physics informed deep neural networks. The network is trained based on the minimization of the variational energy of the system described by general non-linear partial differential equations while respecting any given law of physics, hence the name physics informed neural network (PINN). The developed approach needs only a set of points to define the geometry, contrary to the conventional mesh-based discretization techniques. The concept of `transfer learning' is integrated with the developed PINN approach to improve the computational efficiency of the network at each displacement step. This approach allows a numerically stable crack growth even with larger displacement steps. An adaptive h-refinement scheme based on the generation of more quadrature points in the damage zone is developed in this framework. For all the developed methods, displacement-controlled loading is considered. The accuracy and the efficiency of both methods are studied numerically showing that the developed methods are powerful and computationally efficient tools for accurately predicting fractures.}, subject = {Phasenfeldmodell}, language = {en} } @phdthesis{Bianco, author = {Bianco, Marcelo Jos{\´e}}, title = {Coupling between Shell and Generalized Beam Theory (GBT) elements}, doi = {10.25643/bauhaus-universitaet.4391}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20210315-43914}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {265}, abstract = {In the last decades, Finite Element Method has become the main method in statics and dynamics analysis in engineering practice. For current problems, this method provides a faster, more flexible solution than the analytic approach. Prognoses of complex engineer problems that used to be almost impossible to solve are now feasible. Although the finite element method is a robust tool, it leads to new questions about engineering solutions. Among these new problems, it is possible to divide into two major groups: the first group is regarding computer performance; the second one is related to understanding the digital solution. Simultaneously with the development of the finite element method for numerical solutions, a theory between beam theory and shell theory was developed: Generalized Beam Theory, GBT. This theory has not only a systematic and analytical clear presentation of complicated structural problems, but also a compact and elegant calculation approach that can improve computer performance. Regrettably, GBT was not internationally known since the most publications of this theory were written in German, especially in the first years. Only in recent years, GBT has gradually become a fertile research topic, with developments from linear to non-linear analysis. Another reason for the misuse of GBT is the isolated application of the theory. Although recently researches apply finite element method to solve the GBT's problems numerically, the coupling between finite elements of GBT and other theories (shell, solid, etc) is not the subject of previous research. Thus, the main goal of this dissertation is the coupling between GBT and shell/membrane elements. Consequently, one achieves the benefits of both sides: the versatility of shell elements with the high performance of GBT elements. Based on the assumptions of GBT, this dissertation presents how the separation of variables leads to two calculation's domains of a beam structure: a cross-section modal analysis and the longitudinal amplification axis. Therefore, there is the possibility of applying the finite element method not only in the cross-section analysis, but also the development for an exact GBT's finite element in the longitudinal direction. For the cross-section analysis, this dissertation presents the solution of the quadratic eigenvalue problem with an original separation between plate and membrane mechanism. Subsequently, one obtains a clearer representation of the deformation mode, as well as a reduced quadratic eigenvalue problem. Concerning the longitudinal direction, this dissertation develops the novel exact elements, based on hyperbolic and trigonometric shape functions. Although these functions do not have trivial expressions, they provide a recursive procedure that allows periodic derivatives to systematise the development of stiffness matrices. Also, these shape functions enable a single-element discretisation of the beam structure and ensure a smooth stress field. From these developments, this dissertation achieves the formulation of its primary objective: the connection of GBT and shell elements in a mixed model. Based on the displacement field, it is possible to define the coupling equations applied in the master-slave method. Therefore, one can model the structural connections and joints with finite shell elements and the structural beams and columns with GBT finite element. As a side effect, the coupling equations limit the displacement field of the shell elements under the assumptions of GBT, in particular in the neighbourhood of the coupling cross-section. Although these side effects are almost unnoticeable in linear analysis, they lead to cumulative errors in non-linear analysis. Therefore, this thesis finishes with the evaluation of the mixed GBT-shell models in non-linear analysis.}, subject = {Biegetheorie}, language = {en} } @phdthesis{Bielik, author = {Bielik, Martin}, title = {FORM-ACTIVITY-MOVEMENT INTERACTION MODEL}, doi = {10.25643/bauhaus-universitaet.4397}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20210407-43970}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {269}, abstract = {This dissertation investigates the interactions between urban form, allocation of activities, and pedestrian movement in the context of urban planning. The ability to assess the long-term impact of urban planning decisions on what people do and how they get there is of central importance, with various disciplines addressing this topic. This study focuses on approaches proposed by urban morphologists, urban economists, and transportation planners, each aiming the attention at a different part of the form-activity-movement interaction. Even though there is no doubt about the advantages of these highly focused approaches, it remains unclear what is the cost of ignoring the effect of some interactions while considering others. The general aim of this dissertation is to empirically test the validity of the individual models and quantify the impact of this isolationist approach on their precision and bias. For this purpose, we propose a joined form-activity-movement interaction model and conduct an empirical study in Weimar, Germany. We estimate how the urban form and activities affect movement as well as how movement and urban form affect activities. By estimating these effects in isolation and simultaneously, we assess the bias of the individual models. On the one hand, the empirical study results confirm the significance of all interactions suggested by the individual models. On the other hand, we were able to show that when these interactions are estimated in isolation, the resulting predictions are biased. To conclude, we do not question the knowledge brought by transportation planners, urban morphologists, and urban economists. However, we argue that it might be of little use on its own. We see the relevance of this study as being twofold. On the one hand, we proposed a novel methodological framework for the simultaneous estimation of the form-activity-movement interactions. On the other hand, we provide empirical evidence about the strengths and limitations of current approaches.}, subject = {Stadtplanung}, language = {en} } @phdthesis{Sproete, author = {Spr{\"o}te, Daniel}, title = {Immobilienportfoliomanagement {\"o}ffentlicher musealer Schl{\"o}sserverwaltungen - Daten zur Investitionssteuerung}, doi = {10.25643/bauhaus-universitaet.4426}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20210510-44260}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {220}, abstract = {Die Arbeit leistet einen wissenschaftlichen Beitrag zur Erforschung der Einsatzm{\"o}glichkeiten eines Immobilienportfoliomanagements f{\"u}r {\"o}ffentliche museale Schl{\"o}sserverwaltungen in Deutschland. Insbesondere wird ein f{\"u}r deren Organisation spezifisches Modell zur Investitionssteuerung herausgearbeitet und dessen Anwendbarkeit in der Praxis mit Experten diskutiert.}, subject = {Unbewegliche Sache}, language = {de} } @phdthesis{Schmitz, author = {Schmitz, Tonia Annick}, title = {Entwicklung und Bilanzierung eines Photobioreaktorsystems zur Makroalgenkultivierung am Standort einer landwirtschaftlichen Biogasanlage}, doi = {10.25643/bauhaus-universitaet.4177}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20200604-41774}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {220}, abstract = {Marine Makroalgen besitzen vielversprechende Eigenschaften und Inhaltsstoffe f{\"u}r die Verwendung als Energietr{\"a}ger, Nahrungsmittel oder als Ausgangsstoff f{\"u}r Pharmazeutika. Dass die Quantit{\"a}t und Qualit{\"a}t der in nat{\"u}rlicher Umgebung wachsenden Makroalgen schwankt, reduziert jedoch deren Verwertbarkeit und erschwert die Erschließung hochpreisiger Marktsegmente. Zudem ist eine Ausweitung der Zucht in marinen und k{\"u}stennahen Aquakulturen in Europa gegenw{\"a}rtig wenig aussichtsreich, da vielversprechende Areale bereits zum Fischfang oder als Erholungs- bzw. Naturschutzgebiete ausgewiesen sind. Im Rahmen dieser Arbeit wird demzufolge ein geschlossenes Photobioreaktorsystem zur Makroalgenkultivierung entwickelt, welches eine umfassende Kontrolle der abiotischen Kultivierungsparameter und eine effektive Aufbereitung des Kulturmediums vorsieht, um eine standortunabh{\"a}ngige Algenproduktion zu erm{\"o}glichen. Zur Bilanzierung des Gesamtkonzeptes einer Kultivierung und Verwertung (stofflich oder energetisch) werden die spezifischen Wachstumsraten und Methanbildungspotentiale der Algenarten Ulva intestinalis, Fucus vesiculosus und Palmaria palmata in praktischen Versuchen ermittelt. Im Ergebnis wird f{\"u}r den gegenw{\"a}rtigen Entwicklungsstand der Kultivierungsanlage eine positive Bilanz f{\"u}r die stoffliche Verwertung der Algenart Ulva intestinalis und eine negative Bilanz f{\"u}r die energetische Verwertung aller untersuchten Algenarten erzielt. Wird ein Optimalszenario betrachtet, indem die Besatzdichten und Wachstumsraten der Algen in der Zucht erh{\"o}ht werden, bleibt die Energiebilanz negativ. Allerdings summieren sich die finanzielle Einnahmen durch einen Verkauf der Algen als Produkt auf j{\"a}hrlich 460.869€ f{\"u}r Ulva intestinalis, 4.010€ f{\"u}r Fucus vesiculosus und 16.913€ f{\"u}r Palmaria palmata. Im Ergebnis ist insbesondere eine stoffliche Verwertung der gez{\"u}chteten Gr{\"u}nalge Ulva intestinalis anzustreben und die Produktivit{\"a}t der Zuchtanlage im Sinne des Optimalszenarios zu steigern.}, subject = {Makroalgen}, language = {de} } @phdthesis{HosseinNezhadShirazi, author = {Hossein Nezhad Shirazi, Ali}, title = {Multi-Scale Modeling of Lithium ion Batteries: a thermal management approach and molecular dynamic studies}, doi = {10.25643/bauhaus-universitaet.4098}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20200214-40986}, school = {Bauhaus-Universit{\"a}t Weimar}, abstract = {Rechargeable lithium ion batteries (LIBs) play a very significant role in power supply and storage. In recent decades, LIBs have caught tremendous attention in mobile communication, portable electronics, and electric vehicles. Furthermore, global warming has become a worldwide issue due to the ongoing production of greenhouse gases. It motivates solutions such as renewable sources of energy. Solar and wind energies are the most important ones in renewable energy sources. By technology progress, they will definitely require batteries to store the produced power to make a balance between power generation and consumption. Nowadays,rechargeable batteries such as LIBs are considered as one of the best solutions. They provide high specific energy and high rate performance while their rate of self-discharge is low. Performance of LIBs can be improved through the modification of battery characteristics. The size of solid particles in electrodes can impact the specific energy and the cyclability of batteries. It can improve the amount of lithium content in the electrode which is a vital parameter in capacity and capability of a battery. There exist diferent sources of heat generation in LIBs such as heat produced during electrochemical reactions, internal resistance in battery. The size of electrode's electroactive particles can directly affect the produced heat in battery. It will be shown that the smaller size of solid particle enhance the thermal characteristics of LIBs. Thermal issues such as overheating, temperature maldistribution in the battery, and thermal runaway have confined applications of LIBs. Such thermal challenges reduce the Life cycle of LIBs. As well, they may lead to dangerous conditions such as fire or even explosion in batteries. However, recent advances in fabrication of advanced materials such as graphene and carbon nanotubes with extraordinary thermal conductivity and electrical properties propose new opportunities to enhance their performance. Since experimental works are expensive, our objective is to use computational methods to investigate the thermal issues in LIBS. Dissipation of the heat produced in the battery can improve the cyclability and specific capacity of LIBs. In real applications, packs of LIB consist several battery cells that are used as the power source. Therefore, it is worth to investigate thermal characteristic of battery packs under their cycles of charging/discharging operations at different applied current rates. To remove the produced heat in batteries, they can be surrounded by materials with high thermal conductivity. Parafin wax absorbs high energy since it has a high latent heat. Absorption high amounts of energy occurs at constant temperature without phase change. As well, thermal conductivity of parafin can be magnified with nano-materials such as graphene, CNT, and fullerene to form a nano-composite medium. Improving the thermal conductivity of LIBs increase the heat dissipation from batteries which is a vital issue in systems of battery thermal management. The application of two-dimensional (2D) materials has been on the rise since exfoliation the graphene from bulk graphite. 2D materials are single-layered in an order of nanosizes which show superior thermal, mechanical, and optoelectronic properties. They are potential candidates for energy storage and supply, particularly in lithium ion batteries as electrode material. The high thermal conductivity of graphene and graphene-like materials can play a significant role in thermal management of batteries. However, defects always exist in nano-materials since there is no ideal fabrication process. One of the most important defects in materials are nano-crack which can dramatically weaken the mechanical properties of the materials. Newly synthesized crystalline carbon nitride with the stoichiometry of C3N have attracted many attentions due to its extraordinary mechanical and thermal properties. The other nano-material is phagraphene which shows anisotropic mechanical characteristics which is ideal in production of nanocomposite. It shows ductile fracture behavior when subjected under uniaxial loadings. It is worth to investigate their thermo-mechanical properties in its pristine and defective states. We hope that the findings of our work not only be useful for both experimental and theoretical researches but also help to design advanced electrodes for LIBs.}, subject = {Akkumulator}, language = {en} } @phdthesis{Kavrakov, author = {Kavrakov, Igor}, title = {Synergistic Framework for Analysis and Model Assessment in Bridge Aerodynamics and Aeroelasticity}, publisher = {Bauhaus-Universit{\"a}tsverlag}, address = {Weimar}, isbn = {978-3-95773-284-2}, doi = {10.25643/bauhaus-universitaet.4109}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20200316-41099}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {314}, abstract = {Wind-induced vibrations often represent a major design criterion for long-span bridges. This work deals with the assessment and development of models for aerodynamic and aeroelastic analyses of long-span bridges. Computational Fluid Dynamics (CFD) and semi-analytical aerodynamic models are employed to compute the bridge response due to both turbulent and laminar free-stream. For the assessment of these models, a comparative methodology is developed that consists of two steps, a qualitative and a quantitative one. The first, qualitative, step involves an extension of an existing approach based on Category Theory and its application to the field of bridge aerodynamics. Initially, the approach is extended to consider model comparability and completeness. Then, the complexity of the CFD and twelve semi-analytical models are evaluated based on their mathematical constructions, yielding a diagrammatic representation of model quality. In the second, quantitative, step of the comparative methodology, the discrepancy of a system response quantity for time-dependent aerodynamic models is quantified using comparison metrics for time-histories. Nine metrics are established on a uniform basis to quantify the discrepancies in local and global signal features that are of interest in bridge aerodynamics. These signal features involve quantities such as phase, time-varying frequency and magnitude content, probability density, non-stationarity, and nonlinearity. The two-dimensional (2D) Vortex Particle Method is used for the discretization of the Navier-Stokes equations including a Pseudo-three dimensional (Pseudo-3D) extension within an existing CFD solver. The Pseudo-3D Vortex Method considers the 3D structural behavior for aeroelastic analyses by positioning 2D fluid strips along a line-like structure. A novel turbulent Pseudo-3D Vortex Method is developed by combining the laminar Pseudo-3D VPM and a previously developed 2D method for the generation of free-stream turbulence. Using analytical derivations, it is shown that the fluid velocity correlation is maintained between the CFD strips. Furthermore, a new method is presented for the determination of the complex aerodynamic admittance under deterministic sinusoidal gusts using the Vortex Particle Method. The sinusoidal gusts are simulated by modeling the wakes of flapping airfoils in the CFD domain with inflow vortex particles. Positioning a section downstream yields sinusoidal forces that are used for determining all six components of the complex aerodynamic admittance. A closed-form analytical relation is derived, based on an existing analytical model. With this relation, the inflow particles' strength can be related with the target gust amplitudes a priori. The developed methodologies are combined in a synergistic framework, which is applied to both fundamental examples and practical case studies. Where possible, the results are verified and validated. The outcome of this work is intended to shed some light on the complex wind-bridge interaction and suggest appropriate modeling strategies for an enhanced design.}, subject = {Br{\"u}cke}, language = {en} } @phdthesis{RadmardRahmani, author = {Radmard Rahmani, Hamid}, title = {Artificial Intelligence Approach for Seismic Control of Structures}, doi = {10.25643/bauhaus-universitaet.4135}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20200417-41359}, school = {Bauhaus-Universit{\"a}t Weimar}, abstract = {Abstract In the first part of this research, the utilization of tuned mass dampers in the vibration control of tall buildings during earthquake excitations is studied. The main issues such as optimizing the parameters of the dampers and studying the effects of frequency content of the target earthquakes are addressed. Abstract The non-dominated sorting genetic algorithm method is improved by upgrading generic operators, and is utilized to develop a framework for determining the optimum placement and parameters of dampers in tall buildings. A case study is presented in which the optimal placement and properties of dampers are determined for a model of a tall building under different earthquake excitations through computer simulations. Abstract In the second part, a novel framework for the brain learning-based intelligent seismic control of smart structures is developed. In this approach, a deep neural network learns how to improve structural responses during earthquake excitations using feedback control. Abstract Reinforcement learning method is improved and utilized to develop a framework for training the deep neural network as an intelligent controller. The efficiency of the developed framework is examined through two case studies including a single-degree-of-freedom system and a high-rise building under different earthquake excitation records. Abstract The results show that the controller gradually develops an optimum control policy to reduce the vibrations of a structure under an earthquake excitation through a cyclical process of actions and observations. Abstract It is shown that the controller efficiently improves the structural responses under new earthquake excitations for which it was not trained. Moreover, it is shown that the controller has a stable performance under uncertainties.}, subject = {Erdbeben}, language = {en} } @phdthesis{Rabizadeh, author = {Rabizadeh, Ehsan}, title = {Goal-oriented A Posteriori Error Estimation and Adaptive Mesh Refinement in 2D/3D Thermoelasticity Problems}, doi = {10.25643/bauhaus-universitaet.4286}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20201113-42864}, school = {Bauhaus-Universit{\"a}t Weimar}, abstract = {In recent years, substantial attention has been devoted to thermoelastic multifield problems and their numerical analysis. Thermoelasticity is one of the important categories of multifield problems which deals with the effect of mechanical and thermal disturbances on an elastic body. In other words, thermoelasticity encompasses the phenomena that describe the elastic and thermal behavior of solids and their interactions under thermo-mechanical loadings. Since providing an analytical solution for general coupled thermoelasticity problems is mathematically complicated, the development of alternative numerical solution techniques seems essential. Due to the nature of numerical analysis methods, presence of error in results is inevitable, therefore in any numerical simulation, the main concern is the accuracy of the approximation. There are different error estimation (EE) methods to assess the overall quality of numerical approximation. In many real-life numerical simulations, not only the overall error, but also the local error or error in a particular quantity of interest is of main interest. The error estimation techniques which are developed to evaluate the error in the quantity of interest are known as "goal-oriented" error estimation (GOEE) methods. This project, for the first time, investigates the classical a posteriori error estimation and goal-oriented a posteriori error estimation in 2D/3D thermoelasticity problems. Generally, the a posteriori error estimation techniques can be categorized into two major branches of recovery-based and residual-based error estimators. In this research, application of both recovery- and residual-based error estimators in thermoelasticity are studied. Moreover, in order to reduce the error in the quantity of interest efficiently and optimally in 2D and 3D thermoelastic problems, goal-oriented adaptive mesh refinement is performed. As the first application category, the error estimation in classical Thermoelasticity (CTE) is investigated. In the first step, a rh-adaptive thermo-mechanical formulation based on goal-oriented error estimation is proposed.The developed goal-oriented error estimation relies on different stress recovery techniques, i.e., the superconvergent patch recovery (SPR), L2-projection patch recovery (L2-PR), and weighted superconvergent patch recovery (WSPR). Moreover, a new adaptive refinement strategy (ARS) is presented that minimizes the error in a quantity of interest and refines the discretization such that the error is equally distributed in the refined mesh. The method is validated by numerous numerical examples where an analytical solution or reference solution is available. After investigating error estimation in classical thermoelasticity and evaluating the quality of presented error estimators, we extended the application of the developed goal-oriented error estimation and the associated adaptive refinement technique to the classical fully coupled dynamic thermoelasticity. In this part, we present an adaptive method for coupled dynamic thermoelasticity problems based on goal-oriented error estimation. We use dimensionless variables in the finite element formulation and for the time integration we employ the acceleration-based Newmark-_ method. In this part, the SPR, L2-PR, and WSPR recovery methods are exploited to estimate the error in the quantity of interest (QoI). By using adaptive refinement in space, the error in the quantity of interest is minimized. Therefore, the discretization is refined such that the error is equally distributed in the refined mesh. We demonstrate the efficiency of this method by numerous numerical examples. After studying the recovery-based error estimators, we investigated the residual-based error estimation in thermoelasticity. In the last part of this research, we present a 3D adaptive method for thermoelastic problems based on goal-oriented error estimation where the error is measured with respect to a pointwise quantity of interest. We developed a method for a posteriori error estimation and mesh adaptation based on dual weighted residual (DWR) method relying on the duality principles and consisting of an adjoint problem solution. Here, we consider the application of the derived estimator and mesh refinement to two-/three-dimensional (2D/3D) thermo-mechanical multifield problems. In this study, the goal is considered to be given by singular pointwise functions, such as the point value or point value derivative at a specific point of interest (PoI). An adaptive algorithm has been adopted to refine the mesh to minimize the goal in the quantity of interest. The mesh adaptivity procedure based on the DWR method is performed by adaptive local h-refinement/coarsening with allowed hanging nodes. According to the proposed DWR method, the error contribution of each element is evaluated. In the refinement process, the contribution of each element to the goal error is considered as the mesh refinement criterion. In this study, we substantiate the accuracy and performance of this method by several numerical examples with available analytical solutions. Here, 2D and 3D problems under thermo-mechanical loadings are considered as benchmark problems. To show how accurately the derived estimator captures the exact error in the evaluation of the pointwise quantity of interest, in all examples, considering the analytical solutions, the goal error effectivity index as a standard measure of the quality of an estimator is calculated. Moreover, in order to demonstrate the efficiency of the proposed method and show the optimal behavior of the employed refinement method, the results of different conventional error estimators and refinement techniques (e.g., global uniform refinement, Kelly, and weighted Kelly techniques) are used for comparison.}, subject = {Mesh Refinement}, 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} } @phdthesis{Grossmann, author = {Grossmann, Albert}, title = {Sicherheitskonzept zur Ber{\"u}cksichtigung von Korrosion an Gashochdruckleitungen aus St{\"a}hlen}, doi = {10.25643/bauhaus-universitaet.4003}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20191021-40034}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {184}, abstract = {Gashochdruckleitungen aus Stahl werden mit Hilfe eines deterministischen Sicherheitskonzeptes bemessen. Im unver{\"a}nderten Bemessungszustand und im bestimmungsgem{\"a}ßem Betrieb ist die statische Tragf{\"a}higkeit der Gashochdruckleitungen gegeben. Mit den Jahren unterliegen Gashochdruckleitungen aus Stahl geometrischen Ver{\"a}nderungen, die h{\"a}ufig durch Korrosion hervorgerufen werden. Die Beurteilung der statischen Tragf{\"a}higkeit erfolgt dann unter Ber{\"u}cksichtigung dieser geometrischen {\"A}nderung. Deterministische Sicherheitsbeiwerte der Bemessung neuer Gashochdruckleitungen k{\"o}nnen f{\"u}r die Bemessung bestehender korrosionsgesch{\"a}digter Gashochdruckleitungen nicht herangezogen werden, da diese einen definierten Beanspruchungs- und Geometriezustand unterstellen, welcher durch den geometrischen Einfluss der Korrosion so nicht mehr besteht. Die Arbeit befasst sich mit der Ermittlung deterministischer Sicherheitsbeiwerte f{\"u}r die Bemessung korrosionsgesch{\"a}digter Gashochdruckleitungen auf Basis von Versagenswahrscheinlichkeiten und stellt ein Anwendungskonzept zu deren Nutzung vor.}, subject = {Sicherheit}, language = {de} } @phdthesis{Zhang, author = {Zhang, Yongzheng}, title = {A Nonlocal Operator Method for Quasi-static and Dynamic Fracture Modeling}, doi = {10.25643/bauhaus-universitaet.4732}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20221026-47321}, school = {Bauhaus-Universit{\"a}t Weimar}, abstract = {Material failure can be tackled by so-called nonlocal models, which introduce an intrinsic length scale into the formulation and, in the case of material failure, restore the well-posedness of the underlying boundary value problem or initial boundary value problem. Among nonlocal models, peridynamics (PD) has attracted a lot of attention as it allows the natural transition from continuum to discontinue and thus allows modeling of discrete cracks without the need to describe and track the crack topology, which has been a major obstacle in traditional discrete crack approaches. This is achieved by replacing the divergence of the Cauchy stress tensor through an integral over so-called bond forces, which account for the interaction of particles. A quasi-continuum approach is then used to calibrate the material parameters of the bond forces, i.e., equating the PD energy with the energy of a continuum. One major issue for the application of PD to general complex problems is that they are limited to fairly simple material behavior and pure mechanical problems based on explicit time integration. PD has been extended to other applications but losing simultaneously its simplicity and ease in modeling material failure. Furthermore, conventional PD suffers from instability and hourglass modes that require stabilization. It also requires the use of constant horizon sizes, which drastically reduces its computational efficiency. The latter issue was resolved by the so-called dual-horizon peridynamics (DH-PD) formulation and the introduction of the duality of horizons. Within the nonlocal operator method (NOM), the concept of nonlocality is further extended and can be considered a generalization of DH-PD. Combined with the energy functionals of various physical models, the nonlocal forms based on the dual-support concept can be derived. In addition, the variation of the energy functional allows implicit formulations of the nonlocal theory. While traditional integral equations are formulated in an integral domain, the dual-support approaches are based on dual integral domains. One prominent feature of NOM is its compatibility with variational and weighted residual methods. The NOM yields a direct numerical implementation based on the weighted residual method for many physical problems without the need for shape functions. Only the definition of the energy or boundary value problem is needed to drastically facilitate the implementation. The nonlocal operator plays an equivalent role to the derivatives of the shape functions in meshless methods and finite element methods (FEM). Based on the variational principle, the residual and the tangent stiffness matrix can be obtained with ease by a series of matrix multiplications. In addition, NOM can be used to derive many nonlocal models in strong form. The principal contributions of this dissertation are the implementation and application of NOM, and also the development of approaches for dealing with fractures within the NOM, mostly for dynamic fractures. The primary coverage and results of the dissertation are as follows: -The first/higher-order implicit NOM and explicit NOM, including a detailed description of the implementation, are presented. The NOM is based on so-called support, dual-support, nonlocal operators, and an operate energy functional ensuring stability. The nonlocal operator is a generalization of the conventional differential operators. Combining with the method of weighted residuals and variational principles, NOM establishes the residual and tangent stiffness matrix of operate energy functional through some simple matrix without the need of shape functions as in other classical computational methods such as FEM. NOM only requires the definition of the energy drastically simplifying its implementation. For the sake of conciseness, the implementation in this chapter is focused on linear elastic solids only, though the NOM can handle more complex nonlinear problems. An explicit nonlocal operator method for the dynamic analysis of elasticity solid problems is also presented. The explicit NOM avoids the calculation of the tangent stiffness matrix as in the implicit NOM model. The explicit scheme comprises the Verlet-velocity algorithm. The NOM can be very flexible and efficient for solving partial differential equations (PDEs). It's also quite easy for readers to use the NOM and extend it to solve other complicated physical phenomena described by one or a set of PDEs. Several numerical examples are presented to show the capabilities of this method. -A nonlocal operator method for the dynamic analysis of (thin) Kirchhoff plates is proposed. The nonlocal Hessian operator is derived from a second-order Taylor series expansion. NOM is higher-order continuous, which is exploited for thin plate analysis that requires \$C^1\$ continuity. The nonlocal dynamic governing formulation and operator energy functional for Kirchhoff plates are derived from a variational principle. The Verlet-velocity algorithm is used for time discretization. After confirming the accuracy of the nonlocal Hessian operator, several numerical examples are simulated by the nonlocal dynamic Kirchhoff plate formulation. -A nonlocal fracture modeling is developed and applied to the simulation of quasi-static and dynamic fractures using the NOM. The phase field's nonlocal weak and associated strong forms are derived from a variational principle. The NOM requires only the definition of energy. We present both a nonlocal implicit phase field model and a nonlocal explicit phase field model for fracture; the first approach is better suited for quasi-static fracture problems, while the key application of the latter one is dynamic fracture. To demonstrate the performance of the underlying approach, several benchmark examples for quasi-static and dynamic fracture are solved.}, subject = {Variationsprinzip}, language = {en} } @phdthesis{LopezZermeno, author = {L{\´o}pez Zerme{\~n}o, Jorge Alberto}, title = {Isogeometric and CAD-based methods for shape and topology optimization: Sensitivity analysis, B{\´e}zier elements and phase-field approaches}, doi = {10.25643/bauhaus-universitaet.4710}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20220831-47102}, school = {Bauhaus-Universit{\"a}t Weimar}, abstract = {The Finite Element Method (FEM) is widely used in engineering for solving Partial Differential Equations (PDEs) over complex geometries. To this end, it is required to provide the FEM software with a geometric model that is typically constructed in a Computer-Aided Design (CAD) software. However, FEM and CAD use different approaches for the mathematical description of the geometry. Thus, it is required to generate a mesh, which is suitable for FEM, based on the CAD model. Nonetheless, this procedure is not a trivial task and it can be time consuming. This issue becomes more significant for solving shape and topology optimization problems, which consist in evolving the geometry iteratively. Therefore, the computational cost associated to the mesh generation process is increased exponentially for this type of applications. The main goal of this work is to investigate the integration of CAD and CAE in shape and topology optimization. To this end, numerical tools that close the gap between design and analysis are presented. The specific objectives of this work are listed below: • Automatize the sensitivity analysis in an isogeometric framework for applications in shape optimization. Applications for linear elasticity are considered. • A methodology is developed for providing a direct link between the CAD model and the analysis mesh. In consequence, the sensitivity analysis can be performed in terms of the design variables located in the design model. • The last objective is to develop an isogeometric method for shape and topological optimization. This method should take advantage of using Non-Uniform Rational B-Splines (NURBS) with higher continuity as basis functions. Isogeometric Analysis (IGA) is a framework designed to integrate the design and analysis in engineering problems. The fundamental idea of IGA is to use the same basis functions for modeling the geometry, usually NURBS, for the approximation of the solution fields. The advantage of integrating design and analysis is two-fold. First, the analysis stage is more accurate since the system of PDEs is not solved using an approximated geometry, but the exact CAD model. Moreover, providing a direct link between the design and analysis discretizations makes possible the implementation of efficient sensitivity analysis methods. Second, the computational time is significantly reduced because the mesh generation process can be avoided. Sensitivity analysis is essential for solving optimization problems when gradient-based optimization algorithms are employed. Automatic differentiation can compute exact gradients, automatically by tracking the algebraic operations performed on the design variables. For the automation of the sensitivity analysis, an isogeometric framework is used. Here, the analysis mesh is obtained after carrying out successive refinements, while retaining the coarse geometry for the domain design. An automatic differentiation (AD) toolbox is used to perform the sensitivity analysis. The AD toolbox takes the code for computing the objective and constraint functions as input. Then, using a source code transformation approach, it outputs a code for computing the objective and constraint functions, and their sensitivities as well. The sensitivities obtained from the sensitivity propagation method are compared with analytical sensitivities, which are computed using a full isogeometric approach. The computational efficiency of AD is comparable to that of analytical sensitivities. However, the memory requirements are larger for AD. Therefore, AD is preferable if the memory requirements are satisfied. Automatic sensitivity analysis demonstrates its practicality since it simplifies the work of engineers and designers. Complex geometries with sharp edges and/or holes cannot easily be described with NURBS. One solution is the use of unstructured meshes. Simplex-elements (triangles and tetrahedra for two and three dimensions respectively) are particularly useful since they can automatically parameterize a wide variety of domains. In this regard, unstructured B{\´e}zier elements, commonly used in CAD, can be employed for the exact modelling of CAD boundary representations. In two dimensions, the domain enclosed by NURBS curves is parameterized with B{\´e}zier triangles. To describe exactly the boundary of a two-dimensional CAD model, the continuity of a NURBS boundary representation is reduced to C^0. Then, the control points are used to generate a triangulation such that the boundary of the domain is identical to the initial CAD boundary representation. Thus, a direct link between the design and analysis discretizations is provided and the sensitivities can be propagated to the design domain. In three dimensions, the initial CAD boundary representation is given as a collection of NURBS surfaces that enclose a volume. Using a mesh generator (Gmsh), a tetrahedral mesh is obtained. The original surface is reconstructed by modifying the location of the control points of the tetrahedral mesh using B{\´e}zier tetrahedral elements and a point inversion algorithm. This method offers the possibility of computing the sensitivity analysis using the analysis mesh. Then, the sensitivities can be propagated into the design discretization. To reuse the mesh originally generated, a moving B{\´e}zier tetrahedral mesh approach was implemented. A gradient-based optimization algorithm is employed together with a sensitivity propagation procedure for the shape optimization cases. The proposed shape optimization approaches are used to solve some standard benchmark problems in structural mechanics. The results obtained show that the proposed approach can compute accurate gradients and evolve the geometry towards optimal solutions. In three dimensions, the moving mesh approach results in faster convergence in terms of computational time and avoids remeshing at each optimization step. For considering topological changes in a CAD-based framework, an isogeometric phase-field based shape and topology optimization is developed. In this case, the diffuse interface of a phase-field variable over a design domain implicitly describes the boundaries of the geometry. The design variables are the local values of the phase-field variable. The descent direction to minimize the objective function is found by using the sensitivities of the objective function with respect to the design variables. The evolution of the phase-field is determined by solving the time dependent Allen-Cahn equation. Especially for topology optimization problems that require C^1 continuity, such as for flexoelectric structures, the isogeometric phase field method is of great advantage. NURBS can achieve the desired continuity more efficiently than the traditional employed functions. The robustness of the method is demonstrated when applied to different geometries, boundary conditions, and material configurations. The applications illustrate that compared to piezoelectricity, the electrical performance of flexoelectric microbeams is larger under bending. In contrast, the electrical power for a structure under compression becomes larger with piezoelectricity.}, subject = {CAD}, language = {en} } @phdthesis{Zacharias, author = {Zacharias, Christin}, title = {Numerical Simulation Models for Thermoelastic Damping Effects}, doi = {10.25643/bauhaus-universitaet.4735}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20221116-47352}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {191}, abstract = {Finite Element Simulations of dynamically excited structures are mainly influenced by the mass, stiffness, and damping properties of the system, as well as external loads. The prediction quality of dynamic simulations of vibration-sensitive components depends significantly on the use of appropriate damping models. Damping phenomena have a decisive influence on the vibration amplitude and the frequencies of the vibrating structure. However, developing realistic damping models is challenging due to the multiple sources that cause energy dissipation, such as material damping, different types of friction, or various interactions with the environment. This thesis focuses on thermoelastic damping, which is the main cause of material damping in homogeneous materials. The effect is caused by temperature changes due to mechanical strains. In vibrating structures, temperature gradients arise in adjacent tension and compression areas. Depending on the vibration frequency, they result in heat flows, leading to increased entropy and the irreversible transformation of mechanical energy into thermal energy. The central objective of this thesis is the development of efficient simulation methods to incorporate thermoelastic damping in finite element analyses based on modal superposition. The thermoelastic loss factor is derived from the structure's mechanical mode shapes and eigenfrequencies. In subsequent analyses that are performed in the time and frequency domain, it is applied as modal damping. Two approaches are developed to determine the thermoelastic loss in thin-walled plate structures, as well as three-dimensional solid structures. The realistic representation of the dissipation effects is verified by comparing the simulation results with experimentally determined data. Therefore, an experimental setup is developed to measure material damping, excluding other sources of energy dissipation. The three-dimensional solid approach is based on the determination of the generated entropy and therefore the generated heat per vibration cycle, which is a measure for thermoelastic loss in relation to the total strain energy. For thin plate structures, the amount of bending energy in a modal deformation is calculated and summarized in the so-called Modal Bending Factor (MBF). The highest amount of thermoelastic loss occurs in the state of pure bending. Therefore, the MBF enables a quantitative classification of the mode shapes concerning the thermoelastic damping potential. The results of the developed simulations are in good agreement with the experimental results and are appropriate to predict thermoelastic loss factors. Both approaches are based on modal superposition with the advantage of a high computational efficiency. Overall, the modeling of thermoelastic damping represents an important component in a comprehensive damping model, which is necessary to perform realistic simulations of vibration processes.}, subject = {Werkstoffd{\"a}mpfung}, language = {en} } @phdthesis{Liu, author = {Liu, Bokai}, title = {Stochastic multiscale modeling of polymeric nanocomposites using Data-driven techniques}, doi = {10.25643/bauhaus-universitaet.4637}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20220503-46379}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {134}, abstract = {In recent years, lightweight materials, such as polymer composite materials (PNCs) have been studied and developed due to their excellent physical and chemical properties. Structures composed of these composite materials are widely used in aerospace engineering structures, automotive components, and electrical devices. The excellent and outstanding mechanical, thermal, and electrical properties of Carbon nanotube (CNT) make it an ideal filler to strengthen polymer materials' comparable properties. The heat transfer of composite materials has very promising engineering applications in many fields, especially in electronic devices and energy storage equipment. It is essential in high-energy density systems since electronic components need heat dissipation functionality. Or in other words, in electronic devices the generated heat should ideally be dissipated by light and small heat sinks. Polymeric composites consist of fillers embedded in a polymer matrix, the first ones will significantly affect the overall (macroscopic) performance of the material. There are many common carbon-based fillers such as single-walled carbon nanotubes (SWCNT), multi-walled carbon nanotubes (MWCNT), carbon nanobuds (CNB), fullerene, and graphene. Additives inside the matrix have become a popular subject for researchers. Some extraordinary characters, such as high-performance load, lightweight design, excellent chemical resistance, easy processing, and heat transfer, make the design of polymeric nanotube composites (PNCs) flexible. Due to the reinforcing effects with different fillers on composite materials, it has a higher degree of freedom and can be designed for the structure according to specific applications' needs. As already stated, our research focus will be on SWCNT enhanced PNCs. Since experiments are timeconsuming, sometimes expensive and cannot shed light into phenomena taking place for instance at the interfaces/interphases of composites, they are often complemented through theoretical and computational analysis. While most studies are based on deterministic approaches, there is a comparatively lower number of stochastic methods accounting for uncertainties in the input parameters. In deterministic models, the output of the model is fully determined by the parameter values and the initial conditions. However, uncertainties in the input parameters such as aspect ratio, volume fraction, thermal properties of fiber and matrix need to be taken into account for reliable predictions. In this research, a stochastic multiscale method is provided to study the influence of numerous uncertain input parameters on the thermal conductivity of the composite. Therefore, a hierarchical multi-scale method based on computational homogenization is presented in to predict the macroscopic thermal conductivity based on the fine-scale structure. In order to study the inner mechanism, we use the finite element method and employ surrogate models to conduct a Global Sensitivity Analysis (GSA). The SA is performed in order to quantify the influence of the conductivity of the fiber, matrix, Kapitza resistance, volume fraction and aspect ratio on the macroscopic conductivity. Therefore, we compute first-order and total-effect sensitivity indices with different surrogate models. As stochastic multiscale models are computational expensive, surrogate approaches are commonly exploited. With the emergence of high performance computing and artificial intelligence, machine learning has become a popular modeling tool for numerous applications. Machine learning (ML) is commonly used in regression and maps data through specific rules with algorithms to build input and output models. They are particularly useful for nonlinear input-output relationships when sufficient data is available. ML has also been used in the design of new materials and multiscale analysis. For instance, Artificial neural networks and integrated learning seem to be ideally for such a task. They can theoretically simulate any non-linear relationship through the connection of neurons. Mapping relationships are employed to carry out data-driven simulations of inputs and outputs in stochastic modeling. This research aims to develop a stochastic multi-scale computational models of PNCs in heat transfer. Multi-scale stochastic modeling with uncertainty analysis and machine learning methods consist of the following components: -Uncertainty Analysis. A surrogate based global sensitivity analysis is coupled with a hierarchical multi-scale method employing computational homogenization. The effect of the conductivity of the fibers and the matrix, the Kapitza resistance, volume fraction and aspect ratio on the 'macroscopic' conductivity of the composite is systematically studied. All selected surrogate models yield consistently the conclusions that the most influential input parameters are the aspect ratio followed by the volume fraction. The Kapitza Resistance has no significant effect on the thermal conductivity of the PNCs. The most accurate surrogate model in terms of the R2 value is the moving least square (MLS). -Hybrid Machine Learning Algorithms. A combination of artificial neural network (ANN) and particle swarm optimization (PSO) is applied to estimate the relationship between variable input and output parameters. The ANN is used for modeling the composite while PSO improves the prediction performance through an optimized global minimum search. The thermal conductivity of the fibers and the matrix, the kapitza resistance, volume fraction and aspect ratio are selected as input parameters. The output is the macroscopic (homogenized) thermal conductivity of the composite. The results show that the PSO significantly improves the predictive ability of this hybrid intelligent algorithm, which outperforms traditional neural networks. -Stochastic Integrated Machine Learning. A stochastic integrated machine learning based multiscale approach for the prediction of the macroscopic thermal conductivity in PNCs is developed. Seven types of machine learning models are exploited in this research, namely Multivariate Adaptive Regression Splines (MARS), Support Vector Machine (SVM), Regression Tree (RT), Bagging Tree (Bag), Random Forest (RF), Gradient Boosting Machine (GBM) and Cubist. They are used as components of stochastic modeling to construct the relationship between the variable of the inputs' uncertainty and the macroscopic thermal conductivity of PNCs. Particle Swarm Optimization (PSO) is used for hyper-parameter tuning to find the global optimal values leading to a significant reduction in the computational cost. The advantages and disadvantages of various methods are also analyzed in terms of computing time and model complexity to finally give a recommendation for the applicability of different models.}, subject = {Polymere}, language = {en} } @phdthesis{Habtemariam, author = {Habtemariam, Abinet Kifle}, title = {Generalized Beam Theory for the analysis of thin-walled circular pipe members}, doi = {10.25643/bauhaus-universitaet.4572}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20220127-45723}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {188}, abstract = {The detailed structural analysis of thin-walled circular pipe members often requires the use of a shell or solid-based finite element method. Although these methods provide a very good approximation of the deformations, they require a higher degree of discretization which causes high computational costs. On the other hand, the analysis of thin-walled circular pipe members based on classical beam theories is easy to implement and needs much less computation time, however, they are limited in their ability to approximate the deformations as they cannot consider the deformation of the cross-section. This dissertation focuses on the study of the Generalized Beam Theory (GBT) which is both accurate and efficient in analyzing thin-walled members. This theory is based on the separation of variables in which the displacement field is expressed as a combination of predetermined deformation modes related to the cross-section, and unknown amplitude functions defined on the beam's longitudinal axis. Although the GBT was initially developed for long straight members, through the consideration of complementary deformation modes, which amend the null transverse and shear membrane strain assumptions of the classical GBT, problems involving short members, pipe bends, and geometrical nonlinearity can also be analyzed using GBT. In this dissertation, the GBT formulation for the analysis of these problems is developed and the application and capabilities of the method are illustrated using several numerical examples. Furthermore, the displacement and stress field results of these examples are verified using an equivalent refined shell-based finite element model. The developed static and dynamic GBT formulations for curved thin-walled circular pipes are based on the linear kinematic description of the curved shell theory. In these formulations, the complex problem in pipe bends due to the strong coupling effect of the longitudinal bending, warping and the cross-sectional ovalization is handled precisely through the derivation of the coupling tensors between the considered GBT deformation modes. Similarly, the geometrically nonlinear GBT analysis is formulated for thin-walled circular pipes based on the nonlinear membrane kinematic equations. Here, the initial linear and quadratic stress and displacement tangent stiffness matrices are built using the third and fourth-order GBT deformation mode coupling tensors. Longitudinally, the formulation of the coupled GBT element stiffness and mass matrices are presented using a beam-based finite element formulation. Furthermore, the formulated GBT elements are tested for shear and membrane locking problems and the limitations of the formulations regarding the membrane locking problem are discussed.}, subject = {Finite-Elemente-Methode}, language = {en} } @phdthesis{Valizadeh, author = {Valizadeh, Navid}, title = {Developments in Isogeometric Analysis and Application to High-Order Phase-Field Models of Biomembranes}, doi = {10.25643/bauhaus-universitaet.4565}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20220114-45658}, school = {Bauhaus-Universit{\"a}t Weimar}, abstract = {Isogeometric analysis (IGA) is a numerical method for solving partial differential equations (PDEs), which was introduced with the aim of integrating finite element analysis with computer-aided design systems. The main idea of the method is to use the same spline basis functions which describe the geometry in CAD systems for the approximation of solution fields in the finite element method (FEM). Originally, NURBS which is a standard technology employed in CAD systems was adopted as basis functions in IGA but there were several variants of IGA using other technologies such as T-splines, PHT splines, and subdivision surfaces as basis functions. In general, IGA offers two key advantages over classical FEM: (i) by describing the CAD geometry exactly using smooth, high-order spline functions, the mesh generation process is simplified and the interoperability between CAD and FEM is improved, (ii) IGA can be viewed as a high-order finite element method which offers basis functions with high inter-element continuity and therefore can provide a primal variational formulation of high-order PDEs in a straightforward fashion. The main goal of this thesis is to further advance isogeometric analysis by exploiting these major advantages, namely precise geometric modeling and the use of smooth high-order splines as basis functions, and develop robust computational methods for problems with complex geometry and/or complex multi-physics. As the first contribution of this thesis, we leverage the precise geometric modeling of isogeometric analysis and propose a new method for its coupling with meshfree discretizations. We exploit the strengths of both methods by using IGA to provide a smooth, geometrically-exact surface discretization of the problem domain boundary, while the Reproducing Kernel Particle Method (RKPM) discretization is used to provide the volumetric discretization of the domain interior. The coupling strategy is based upon the higher-order consistency or reproducing conditions that are directly imposed in the physical domain. The resulting coupled method enjoys several favorable features: (i) it preserves the geometric exactness of IGA, (ii) it circumvents the need for global volumetric parameterization of the problem domain, (iii) it achieves arbitrary-order approximation accuracy while preserving higher-order smoothness of the discretization. Several numerical examples are solved to show the optimal convergence properties of the coupled IGA-RKPM formulation, and to demonstrate its effectiveness in constructing volumetric discretizations for complex-geometry objects. As for the next contribution, we exploit the use of smooth, high-order spline basis functions in IGA to solve high-order surface PDEs governing the morphological evolution of vesicles. These governing equations are often consisted of geometric PDEs, high-order PDEs on stationary or evolving surfaces, or a combination of them. We propose an isogeometric formulation for solving these PDEs. In the context of geometric PDEs, we consider phase-field approximations of mean curvature flow and Willmore flow problems and numerically study the convergence behavior of isogeometric analysis for these problems. As a model problem for high-order PDEs on stationary surfaces, we consider the Cahn-Hilliard equation on a sphere, where the surface is modeled using a phase-field approach. As for the high-order PDEs on evolving surfaces, a phase-field model of a deforming multi-component vesicle, which consists of two fourth-order nonlinear PDEs, is solved using the isogeometric analysis in a primal variational framework. Through several numerical examples in 2D, 3D and axisymmetric 3D settings, we show the robustness of IGA for solving the considered phase-field models. Finally, we present a monolithic, implicit formulation based on isogeometric analysis and generalized-alpha time integration for simulating hydrodynamics of vesicles according to a phase-field model. Compared to earlier works, the number of equations of the phase-field model which need to be solved is reduced by leveraging high continuity of NURBS functions, and the algorithm is extended to 3D settings. We use residual-based variational multi-scale method (RBVMS) for solving Navier-Stokes equations, while the rest of PDEs in the phase-field model are treated using a standard Galerkin-based IGA. We introduce the resistive immersed surface (RIS) method into the formulation which can be employed for an implicit description of complex geometries using a diffuse-interface approach. The implementation highlights the robustness of the RBVMS method for Navier-Stokes equations of incompressible flows with non-trivial localized forcing terms including bending and tension forces of the vesicle. The potential of the phase-field model and isogeometric analysis for accurate simulation of a variety of fluid-vesicle interaction problems in 2D and 3D is demonstrated.}, subject = {Phasenfeldmodell}, language = {en} }