TY - THES A1 - Nouri, Hamidreza T1 - Mechanical Behavior of two dimensional sheets and polymer compounds based on molecular dynamics and continuum mechanics approach N2 - Compactly, this thesis encompasses two major parts to examine mechanical responses of polymer compounds and two dimensional materials: 1- Molecular dynamics approach is investigated to study transverse impact behavior of polymers, polymer compounds and two dimensional materials. 2- Large deflection of circular and rectangular membranes is examined by employing continuum mechanics approach. Two dimensional materials (2D), including, Graphene and molybdenum disulfide (MoS2), exhibited new and promising physical and chemical properties, opening new opportunities to be utilized alone or to enhance the performance of conventional materials. These 2D materials have attracted tremendous attention owing to their outstanding physical properties, especially concerning transverse impact loading. Polymers, with the backbone of carbon (organic polymers) or do not include carbon atoms in the backbone (inorganic polymers) like polydimethylsiloxane (PDMS), have extraordinary characteristics particularly their flexibility leads to various easy ways of forming and casting. These simple shape processing label polymers as an excellent material often used as a matrix in composites (polymer compounds). In this PhD work, Classical Molecular Dynamics (MD) is implemented to calculate transverse impact loading of 2D materials as well as polymer compounds reinforced with graphene sheets. In particular, MD was adopted to investigate perforation of the target and impact resistance force . By employing MD approach, the minimum velocity of the projectile that could create perforation and passes through the target is obtained. The largest investigation was focused on how graphene could enhance the impact properties of the compound. Also the purpose of this work was to discover the effect of the atomic arrangement of 2D materials on the impact problem. To this aim, the impact properties of two different 2D materials, graphene and MoS2, are studied. The simulation of chemical functionalization was carried out systematically, either with covalently bonded molecules or with non-bonded ones, focusing the following efforts on the covalently bounded species, revealed as the most efficient linkers. To study transverse impact behavior by using classical MD approach , Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) software, that is well-known among most researchers, is employed. The simulation is done through predefined commands in LAMMPS. Generally these commands (atom style, pair style, angle style, dihedral style, improper style, kspace style, read data, fix, run, compute and so on) are used to simulate and run the model for the desired outputs. Depends on the particles and model types, suitable inter-atomic potentials (force fields) are considered. The ensembles, constraints and boundary conditions are applied depends upon the problem definition. To do so, atomic creation is needed. Python codes are developed to generate particles which explain atomic arrangement of each model. Each atomic arrangement introduced separately to LAMMPS for simulation. After applying constraints and boundary conditions, LAMMPS also include integrators like velocity-Verlet integrator or Brownian dynamics or other types of integrator to run the simulation and finally the outputs are emerged. The outputs are inspected carefully to appreciate the natural behavior of the problem. Appreciation of natural properties of the materials assist us to design new applicable materials. In investigation on the large deflection of circular and rectangular membranes, which is related to the second part of this thesis, continuum mechanics approach is implemented. Nonlinear Föppl membrane theory, which carefully release nonlinear governing equations of motion, is considered to establish the non-linear partial differential equilibrium equations of the membranes under distributed and centric point loads. The Galerkin and energy methods are utilized to solve non-linear partial differential equilibrium equations of circular and rectangular plates respectively. Maximum deflection as well as stress through the film region, which are kinds of issue in many industrial applications, are obtained. T2 - Mechanisches Verhalten von zweidimensionalen Schichten und Polymerverbindungen basierend auf molekulardynamischer und kontinuumsmechanischem Ansatz KW - Molekulardynamik KW - Polymerverbindung KW - Auswirkung KW - Molecular Dynamics Simulation KW - Continuum Mechnics KW - Polymer compound KW - Impact Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20220713-46700 ER - TY - THES A1 - Wang, Jiasheng T1 - Lebensdauerabschätzung von Bauteilen aus globularem Grauguss auf der Grundlage der lokalen gießprozessabhängigen Werkstoffzustände N2 - Das Ziel der Arbeit ist, eine mögliche Verbesserung der Güte der Lebensdauervorhersage für Gusseisenwerkstoffe mit Kugelgraphit zu erreichen, wobei die Gießprozesse verschiedener Hersteller berücksichtigt werden. Im ersten Schritt wurden Probenkörper aus GJS500 und GJS600 von mehreren Gusslieferanten gegossen und daraus Schwingproben erstellt. Insgesamt wurden Schwingfestigkeitswerte der einzelnen gegossenen Proben sowie der Proben des Bauteils von verschiedenen Gussherstellern weltweit entweder durch direkte Schwingversuche oder durch eine Sammlung von Betriebsfestigkeitsversuchen bestimmt. Dank der metallografischen Arbeit und Korrelationsanalyse konnten drei wesentliche Parameter zur Bestimmung der lokalen Dauerfestigkeit festgestellt werden: 1. statische Festigkeit, 2. Ferrit- und Perlitanteil der Mikrostrukturen und 3. Kugelgraphitanzahl pro Flächeneinheit. Basierend auf diesen Erkenntnissen wurde ein neues Festigkeitsverhältnisdiagramm (sogenanntes Sd/Rm-SG-Diagramm) entwickelt. Diese neue Methodik sollte vor allem ermöglichen, die Bauteildauerfestigkeit auf der Grundlage der gemessenen oder durch eine Gießsimulation vorhersagten lokalen Zugfestigkeitswerte sowie Mikrogefügenstrukturen besser zu prognostizieren. Mithilfe der Versuche sowie der Gießsimulation ist es gelungen, unterschiedliche Methoden der Lebensdauervorhersage unter Berücksichtigung der Herstellungsprozesse weiterzuentwickeln. KW - Grauguss KW - Lebensdauerabschätzung KW - Werkstoffprüfung Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20220111-45542 ER - TY - THES A1 - Zacharias, Christin T1 - Numerical Simulation Models for Thermoelastic Damping Effects N2 - 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. N2 - Die Finite-Elemente Simulation von dynamisch angeregten Strukturen wird im Wesentlich durch die Steifigkeits-, Massen- und Dämpfungseigenschaften des Systems sowie durch die äußere Belastung bestimmt. Die Vorhersagequalität von dynamischen Simulationen schwingungsanfälliger Bauteile hängt wesentlich von der Verwendung geeigneter Dämpfungsmodelle ab. Dämpfungsphänomene haben einen wesentlichen Einfluss auf die Schwingungsamplitude, die Frequenz und teilweise sogar die Existenz von Vibrationen. Allerdings ist die Entwicklung von realitätsnahen Dämpfungsmodellen oft schwierig, da eine Vielzahl von physikalischen Effekten zur Energiedissipation während eines Schwingungsvorgangs führt. Beispiele hierfür sind die Materialdämpfung, verschiedene Formen der Reibung sowie vielfältige Wechselwirkungen mit dem umgebenden Medium. Diese Dissertation befasst sich mit thermoelastischer Dämpfung, die in homogenen Materialien die dominante Ursache der Materialdämpfung darstellt. Der thermoelastische Effekt wird ausgelöst durch eine Temperaturänderung aufgrund mechanischer Spannungen. In der schwingenden Struktur entstehen während der Deformation Temperaturgradienten zwischen benachbarten Regionen unter Zug- und Druckbelastung. In Abhängigkeit von der Vibrationsfrequenz führen diese zu Wärmeströmen und irreversibler Umwandlung mechanischer in thermische Energie. Die Zielstellung dieser Arbeit besteht in der Entwicklung recheneffizienter Simulationsmethoden, um thermoelastische Dämpfung in zeitabhängigen Finite-Elemente Analysen, die auf modaler Superposition beruhen, zu integrieren. Der thermoelastische Verlustfaktor wird auf der Grundlage der mechanischen Eigenformen und -frequenzen bestimmt. In nachfolgenden Analysen im Zeit- und Frequenzbereich wird er als modaler Dämpfungsgrad verwendet. Zwei Ansätze werden entwickelt, um den thermoelastischen Verlustfaktor in dünn-wandigen Plattenstrukturen, sowie in dreidimensionalen Volumenbauteilen zu simulieren. Die realitätsnahe Vorhersage der Energiedissipation wird durch die Verifizierung an experimentellen Daten bestätigt. Dafür wird ein Versuchsaufbau entwickelt, der eine Messung von Materialdämpfung unter Ausschluss anderer Dissipationsquellen ermöglicht. Für den Fall der Volumenbauteile wird ein Ansatz verwendet, der auf der Berechnung der Entropieänderung und damit der erzeugte Wärmeenergie während eines Schwingungszyklus beruht. Im Verhältnis zur Formänderungsenergie ist dies ein Maß für die thermoelastische Dämpfung. Für dünne Plattenstrukturen wird der Anteil an Biegeenergie in der Eigenform bestimmt und im sogenannten modalen Biegefaktor (MBF) zusammengefasst. Der maximale Grad an thermoelastischer Dämpfung kann im Zustand reiner Biegung auftreten, sodass der MBF eine quantitative Klassifikation der Eigenformen hinsichtlich ihres thermoelastischen Dämpfungspotentials zulässt. Die Ergebnisse der entwickelten Simulationsmethoden stimmen sehr gut mit den experimentellen Daten überein und sind geeignet, um thermoelastische Dämpfungsgrade vorherzusagen. Beide Ansätze basieren auf modaler Superposition und ermöglichen damit zeitabhängige Simulationen mit einer hohen Recheneffizienz. Insgesamt stellt die Modellierung der thermoelastischen Dämpfung einen Baustein in einem umfassenden Dämpfungsmodell dar, welches zur realitätsnahen Simulation von Schwingungsvorgängen notwendig ist. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2022,8 KW - Werkstoffdämpfung KW - Finite-Elemente-Methode KW - Strukturdynamik KW - Thermoelastic damping KW - modal damping KW - decay experiments KW - energy dissipation Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20221116-47352 ER - TY - THES A1 - Valizadeh, Navid T1 - Developments in Isogeometric Analysis and Application to High-Order Phase-Field Models of Biomembranes N2 - 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. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2022,1 KW - Phasenfeldmodell KW - Vesikel KW - Hydrodynamik KW - Multiphysics KW - Isogeometrische Analyse KW - Isogeometric Analysis KW - Vesicle dynamics KW - Phase-field modeling KW - Geometric Partial Differential Equations KW - Residual-based variational multiscale method Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20220114-45658 ER - TY - THES A1 - Stang, René T1 - Methode zur Ökoeffizienzbewertung wärmetechnischer Anlagen in Gebäuden N2 - Die vorliegende Arbeit richtet sich an Ingenieur*innen und Wissenschaftler*innen der technischen Gebäudeausrüstung. Sie greift einen sich abzeichnenden Änderungsbedarf in der Umwelt- und Nachhaltigkeitsbewertung von Gebäuden und wärmetechnischen Anlagen auf. Der aktuell genutzte nicht erneuerbare Primärenergiebedarf wird insbesondere hinsichtlich künftiger politischer Klima- und Umweltschutzziele als alleinige Bewertungsgröße nicht ausreichend sein. Die mit dieser Arbeit vorgestellte Ökoeffizienzbewertungsmethode kann als geeignetes Instrument zur Lösung der Probleme beitragen. Sie ermöglicht systematische, ganzheitliche Bewertungen und reproduzierbare Vergleiche wärmetechnischer Anlagen bezüglich ihrer ökologischen und ökonomischen Nachhaltigkeit. Die wesentlichsten Neuentwicklungen sind die spezifische Umweltleistung, in Erweiterung zum genutzten Primärenergiefaktor, und der Ökoeffizienzindikator UWI. KW - Energiewirtschaft KW - Nachhaltigkeit KW - Primärenergie KW - erneuerbare Energie KW - Wärmebedarf KW - Nachhaltigkeitsbewertung KW - Ökobilanz KW - Ökoeffizienz KW - Primärenergiefaktor KW - Umweltleistung Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20211119-45280 SN - 978-3-18-300623-6 (print) PB - VDI Verlag CY - Düsseldorf ER - TY - THES A1 - Ren, Huilong T1 - Dual-horizon peridynamics and Nonlocal operator method N2 - In the last two decades, Peridynamics (PD) attracts much attention in the field of fracture mechanics. One key feature of PD is the nonlocality, which is quite different from the ideas in conventional methods such as FEM and meshless method. However, conventional PD suffers from problems such as constant horizon, explicit algorithm, hourglass mode. In this thesis, by examining the nonlocality with scrutiny, we proposed several new concepts such as dual-horizon (DH) in PD, dual-support (DS) in smoothed particle hydrodynamics (SPH), nonlocal operators and operator energy functional. The conventional PD (SPH) is incorporated in the DH-PD (DS-SPH), which can adopt an inhomogeneous discretization and inhomogeneous support domains. The DH-PD (DS-SPH) can be viewed as some fundamental improvement on the conventional PD (SPH). Dual formulation of PD and SPH allows h-adaptivity while satisfying the conservations of linear momentum, angular momentum and energy. By developing the concept of nonlocality further, we introduced the nonlocal operator method as a generalization of DH-PD. Combined with energy functional of various physical models, the nonlocal forms based on dual-support concept are derived. In addition, the variation of the energy functional allows implicit formulation of the nonlocal theory. At last, we developed the higher order nonlocal operator method which is capable of solving higher order partial differential equations on arbitrary domain in higher dimensional space. Since the concepts are developed gradually, we described our findings chronologically. In chapter 2, we developed a DH-PD formulation that includes varying horizon sizes and solves the "ghost force" issue. The concept of dual-horizon considers the unbalanced interactions between the particles with different horizon sizes. The present formulation fulfills both the balances of linear momentum and angular momentum exactly with arbitrary particle discretization. All three peridynamic formulations, namely bond based, ordinary state based and non-ordinary state based peridynamics can be implemented within the DH-PD framework. A simple adaptive refinement procedure (h-adaptivity) is proposed reducing the computational cost. Both two- and three- dimensional examples including the Kalthoff-Winkler experiment and plate with branching cracks are tested to demonstrate the capability of the method. In chapter 3, a nonlocal operator method (NOM) based on the variational principle is proposed for the solution of waveguide problem in computational electromagnetic field. Common differential operators as well as the variational forms are defined within the context of nonlocal operators. The present nonlocal formulation allows the assembling of the tangent stiffness matrix with ease, which is necessary for the eigenvalue analysis of the waveguide problem. The present formulation is applied to solve 1D Schrodinger equation, 2D electrostatic problem and the differential electromagnetic vector wave equations based on electric fields. In chapter 4, a general nonlocal operator method is proposed which is applicable for solving partial differential equations (PDEs) of mechanical problems. The nonlocal operator can be regarded as the integral form, ``equivalent'' to the differential form in the sense of a nonlocal interaction model. The variation of a nonlocal operator plays an equivalent role as the derivatives of the shape functions in the meshless methods or those of the finite element method. Based on the variational principle, the residual and the tangent stiffness matrix can be obtained with ease. The nonlocal operator method is enhanced here also with an operator energy functional to satisfy the linear consistency of the field. A highlight of the present method is the functional derived based on the nonlocal operator can convert the construction of residual and stiffness matrix into a series of matrix multiplications using the predefined nonlocal operators. The nonlocal strong forms of different functionals can be obtained easily via the concept of support and dual-support. Several numerical examples of different types of PDEs are presented. In chapter 5, we extended the NOM to higher order scheme by using a higher order Taylor series expansion of the unknown field. Such a higher order scheme improves the original NOM in chapter 3 and chapter 4, which can only achieve one-order convergence. The higher order NOM obtains all partial derivatives with specified maximal order simultaneously without resorting to shape functions. The functional based on the nonlocal operators converts the construction of residual and stiffness matrix into a series of matrix multiplication on the nonlocal operator matrix. Several numerical examples solved by strong form or weak form are presented to show the capabilities of this method. In chapter 6, the NOM proposed as a particle-based method in chapter 3,4,5, has difficulty in imposing accurately the boundary conditions of various orders. In this paper, we converted the particle-based NOM into a scheme with interpolation property. The new scheme describes partial derivatives of various orders at a point by the nodes in the support and takes advantage of the background mesh for numerical integration. The boundary conditions are enforced via the modified variational principle. The particle-based NOM can be viewed a special case of NOM with interpolation property when nodal integration is used. The scheme based on numerical integration greatly improves the stability of the method, as a consequence, the operator energy functional in particle-based NOM is not required. We demonstrated the capabilities of current method by solving the gradient solid problems and comparing the numerical results with the available exact solutions. In chapter 7, we derived the DS-SPH in solid within the framework of variational principle. The tangent stiffness matrix of SPH can be obtained with ease, and can be served as the basis for the present implicit SPH. We proposed an hourglass energy functional, which allows the direct derivation of hourglass force and hourglass tangent stiffness matrix. The dual-support is {involved} in all derivations based on variational principles and is automatically satisfied in the assembling of stiffness matrix. The implementation of stiffness matrix comprises with two steps, the nodal assembly based on deformation gradient and global assembly on all nodes. Several numerical examples are presented to validate the method. KW - Peridynamik KW - Variational principle KW - weighted residual method KW - gradient elasticity KW - phase field fracture method KW - smoothed particle hydrodynamics KW - numerical methods KW - PDEs Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20210412-44039 ER - TY - THES A1 - Goswami, Somdatta T1 - Phase field modeling of fracture with isogeometric analysis and machine learning methods N2 - 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. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2021,1 KW - Phasenfeldmodell KW - Neuronales Netz KW - Sprödbruch KW - Isogeometric Analysis KW - Physics informed neural network KW - phase field KW - deep neural network KW - brittle fracture Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20210304-43841 ER - TY - THES A1 - Hossein Nezhad Shirazi, Ali T1 - Multi-Scale Modeling of Lithium ion Batteries: a thermal management approach and molecular dynamic studies N2 - 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. KW - Akkumulator KW - Battery KW - Batterie Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20200214-40986 ER - TY - JOUR A1 - Harirchian, Ehsan A1 - Lahmer, Tom A1 - Buddhiraju, Sreekanth A1 - Mohammad, Kifaytullah A1 - Mosavi, Amir T1 - Earthquake Safety Assessment of Buildings through Rapid Visual Screening JF - Buildings N2 - Earthquake is among the most devastating natural disasters causing severe economical, environmental, and social destruction. Earthquake safety assessment and building hazard monitoring can highly contribute to urban sustainability through identification and insight into optimum materials and structures. While the vulnerability of structures mainly depends on the structural resistance, the safety assessment of buildings can be highly challenging. In this paper, we consider the Rapid Visual Screening (RVS) method, which is a qualitative procedure for estimating structural scores for buildings suitable for medium- to high-seismic cases. This paper presents an overview of the common RVS methods, i.e., FEMA P-154, IITK-GGSDMA, and EMPI. To examine the accuracy and validation, a practical comparison is performed between their assessment and observed damage of reinforced concrete buildings from a street survey in the Bingöl region, Turkey, after the 1 May 2003 earthquake. The results demonstrate that the application of RVS methods for preliminary damage estimation is a vital tool. Furthermore, the comparative analysis showed that FEMA P-154 creates an assessment that overestimates damage states and is not economically viable, while EMPI and IITK-GGSDMA provide more accurate and practical estimation, respectively. KW - Maschinelles Lernen KW - Machine learning KW - Erdbeben KW - buildings KW - earthquake safety assessment KW - earthquake KW - extreme events KW - seismic assessment KW - natural hazard KW - mitigation KW - rapid visual screening Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20200331-41153 UR - https://www.mdpi.com/2075-5309/10/3/51 VL - 2020 IS - Volume 10, Issue 3 PB - MDPI ER - TY - JOUR A1 - Mousavi, Seyed Nasrollah A1 - Steinke Júnior, Renato A1 - Teixeira, Eder Daniel A1 - Bocchiola, Daniele A1 - Nabipour, Narjes A1 - Mosavi, Amir A1 - Shamshirband, Shahaboddin T1 - Predictive Modeling the Free Hydraulic Jumps Pressure through Advanced Statistical Methods JF - Mathematics N2 - Pressure fluctuations beneath hydraulic jumps potentially endanger the stability of stilling basins. This paper deals with the mathematical modeling of the results of laboratory-scale experiments to estimate the extreme pressures. Experiments were carried out on a smooth stilling basin underneath free hydraulic jumps downstream of an Ogee spillway. From the probability distribution of measured instantaneous pressures, pressures with different probabilities could be determined. It was verified that maximum pressure fluctuations, and the negative pressures, are located at the positions near the spillway toe. Also, minimum pressure fluctuations are located at the downstream of hydraulic jumps. It was possible to assess the cumulative curves of pressure data related to the characteristic points along the basin, and different Froude numbers. To benchmark the results, the dimensionless forms of statistical parameters include mean pressures (P*m), the standard deviations of pressure fluctuations (σ*X), pressures with different non-exceedance probabilities (P*k%), and the statistical coefficient of the probability distribution (Nk%) were assessed. It was found that an existing method can be used to interpret the present data, and pressure distribution in similar conditions, by using a new second-order fractional relationships for σ*X, and Nk%. The values of the Nk% coefficient indicated a single mean value for each probability. KW - Maschinelles Lernen KW - Machine learning KW - mathematical modeling KW - extreme pressure KW - hydraulic jump KW - stilling basin KW - standard deviation of pressure fluctuations KW - statistical coeffcient of the probability distribution Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20200402-41140 UR - https://www.mdpi.com/2227-7390/8/3/323 VL - 2020 IS - Volume 8, Issue 3, 323 PB - MDPI CY - Basel ER -